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/8s95-e96bb580/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8s95-e96bb580/inputs/seq.fa: 1 curr_seq: _CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/8s95-e96bb580/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8s95-e96bb580/inputs/seq.fa: 1 curr_seq: _CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/8s95-e96bb580/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8s95-e96bb580/inputs/seq.fa: 1 curr_seq: _CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/8s95-e96bb580/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8s95-e96bb580/inputs/seq.fa: 1 curr_seq: _CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/8s95-e96bb580/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8s95-e96bb580/inputs/seq.fa: 1 curr_seq: _CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/8s95-e96bb580/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8s95-e96bb580/inputs/seq.fa: 1 curr_seq: _CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/8s95-e96bb580/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8s95-e96bb580/inputs/seq.fa: 1 curr_seq: _CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/8s95-e96bb580/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8s95-e96bb580/inputs/seq.fa: 1 curr_seq: _CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/8s95-e96bb580/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8s95-e96bb580/inputs/seq.fa: 1 curr_seq: _CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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/8s95-e96bb580/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/8s95-e96bb580/inputs/seq.fa: 1 curr_seq: _CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCCCGGAUAGCUCAGUCGGUAGAGCAGCGGCUAAAACAGCUCUGGGGUUGUACCCACCCCAGAGGCCCACGUGGCGGCUAGUACUCCGGUAUUGCGGUACCCUUGUACGCCUGUUUUAGCCGCGGGUCCAGGGUUCAAGUCCCUGUUCGGGCGCCA 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 157 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: 790 n_atoms_counter: 790 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 157.000000 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: -627.514840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.514840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.514840 (E_RNA) where: Base-Base interactions energy: -16.337 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 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: 1 Temperature: 0.950000 Total energy: -627.514840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.514840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.514840 (E_RNA) where: Base-Base interactions energy: -16.337 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 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: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -627.514840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.514840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.514840 (E_RNA) where: Base-Base interactions energy: -16.337 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -627.514840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.514840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.514840 (E_RNA) where: Base-Base interactions energy: -16.337 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 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: 1 Temperature: 1.100000 Total energy: -627.514840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.514840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.514840 (E_RNA) where: Base-Base interactions energy: -16.337 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -627.514840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.514840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.514840 (E_RNA) where: Base-Base interactions energy: -16.337 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 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: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -627.514840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.514840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.514840 (E_RNA) where: Base-Base interactions energy: -16.337 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 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: 1 Temperature: 1.250000 Total energy: -627.514840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.514840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.514840 (E_RNA) where: Base-Base interactions energy: -16.337 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -627.514840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.514840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.514840 (E_RNA) where: Base-Base interactions energy: -16.337 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -627.514840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.514840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.514840 (E_RNA) where: Base-Base interactions energy: -16.337 where: short stacking energy: -16.337 Base-Backbone interact. energy: -0.000 local terms energy: -611.177221 where: bonds (distance) C4'-P energy: -152.538 bonds (distance) P-C4' energy: -141.355 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -131.860 tors. eta vs tors. theta energy: -70.151 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -835.013766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.013766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.013766 (E_RNA) where: Base-Base interactions energy: -363.936 where: short stacking energy: -362.488 Base-Backbone interact. energy: -0.173 local terms energy: -470.905194 where: bonds (distance) C4'-P energy: -102.807 bonds (distance) P-C4' energy: -113.949 flat angles C4'-P-C4' energy: -98.926 flat angles P-C4'-P energy: -66.592 tors. eta vs tors. theta energy: -88.632 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: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -775.623997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.623997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.623997 (E_RNA) where: Base-Base interactions energy: -335.720 where: short stacking energy: -332.844 Base-Backbone interact. energy: 0.020 local terms energy: -439.924751 where: bonds (distance) C4'-P energy: -95.656 bonds (distance) P-C4' energy: -94.920 flat angles C4'-P-C4' energy: -98.311 flat angles P-C4'-P energy: -67.747 tors. eta vs tors. theta energy: -83.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -749.511456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.511456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.511456 (E_RNA) where: Base-Base interactions energy: -329.647 where: short stacking energy: -305.214 Base-Backbone interact. energy: -0.447 local terms energy: -419.417554 where: bonds (distance) C4'-P energy: -94.343 bonds (distance) P-C4' energy: -93.898 flat angles C4'-P-C4' energy: -87.758 flat angles P-C4'-P energy: -67.997 tors. eta vs tors. theta energy: -75.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -720.352011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.352011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.352011 (E_RNA) where: Base-Base interactions energy: -289.460 where: short stacking energy: -284.861 Base-Backbone interact. energy: -0.140 local terms energy: -430.751818 where: bonds (distance) C4'-P energy: -95.960 bonds (distance) P-C4' energy: -107.454 flat angles C4'-P-C4' energy: -92.178 flat angles P-C4'-P energy: -61.583 tors. eta vs tors. theta energy: -73.577 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: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -639.192936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.192936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.192936 (E_RNA) where: Base-Base interactions energy: -285.164 where: short stacking energy: -280.290 Base-Backbone interact. energy: -0.434 local terms energy: -353.595113 where: bonds (distance) C4'-P energy: -83.982 bonds (distance) P-C4' energy: -98.023 flat angles C4'-P-C4' energy: -89.530 flat angles P-C4'-P energy: -35.358 tors. eta vs tors. theta energy: -46.702 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: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -627.802883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.802883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.802883 (E_RNA) where: Base-Base interactions energy: -17.621 where: short stacking energy: -17.621 Base-Backbone interact. energy: -0.000 local terms energy: -610.181305 where: bonds (distance) C4'-P energy: -151.896 bonds (distance) P-C4' energy: -141.345 flat angles C4'-P-C4' energy: -115.012 flat angles P-C4'-P energy: -131.682 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: 7, replica: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -627.781657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.781657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.781657 (E_RNA) where: Base-Base interactions energy: -17.621 where: short stacking energy: -17.621 Base-Backbone interact. energy: -0.000 local terms energy: -610.160722 where: bonds (distance) C4'-P energy: -151.896 bonds (distance) P-C4' energy: -141.345 flat angles C4'-P-C4' energy: -115.012 flat angles P-C4'-P energy: -131.682 tors. eta vs tors. theta energy: -70.225 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -628.981234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.981234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.981234 (E_RNA) where: Base-Base interactions energy: -50.861 where: short stacking energy: -50.861 Base-Backbone interact. energy: -0.000 local terms energy: -578.120082 where: bonds (distance) C4'-P energy: -135.466 bonds (distance) P-C4' energy: -125.333 flat angles C4'-P-C4' energy: -116.056 flat angles P-C4'-P energy: -127.402 tors. eta vs tors. theta energy: -73.864 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -633.615136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.615136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.615136 (E_RNA) where: Base-Base interactions energy: -70.094 where: short stacking energy: -70.094 Base-Backbone interact. energy: -0.000 local terms energy: -563.520483 where: bonds (distance) C4'-P energy: -132.707 bonds (distance) P-C4' energy: -119.852 flat angles C4'-P-C4' energy: -113.870 flat angles P-C4'-P energy: -123.421 tors. eta vs tors. theta energy: -73.670 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: 2 Temperature: 1.350000 Total energy: -631.533885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.533885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.533885 (E_RNA) where: Base-Base interactions energy: -30.981 where: short stacking energy: -30.981 Base-Backbone interact. energy: -0.000 local terms energy: -600.553092 where: bonds (distance) C4'-P energy: -147.211 bonds (distance) P-C4' energy: -136.777 flat angles C4'-P-C4' energy: -114.407 flat angles P-C4'-P energy: -130.330 tors. eta vs tors. theta energy: -71.828 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: 3 Temperature: 0.900000 Total energy: -889.729454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.729454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.729454 (E_RNA) where: Base-Base interactions energy: -406.201 where: short stacking energy: -372.477 Base-Backbone interact. energy: -0.471 local terms energy: -483.057990 where: bonds (distance) C4'-P energy: -96.378 bonds (distance) P-C4' energy: -102.960 flat angles C4'-P-C4' energy: -102.640 flat angles P-C4'-P energy: -77.996 tors. eta vs tors. theta energy: -103.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -781.260614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.260614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.260614 (E_RNA) where: Base-Base interactions energy: -352.670 where: short stacking energy: -336.292 Base-Backbone interact. energy: -1.135 local terms energy: -427.455624 where: bonds (distance) C4'-P energy: -94.809 bonds (distance) P-C4' energy: -109.412 flat angles C4'-P-C4' energy: -91.830 flat angles P-C4'-P energy: -65.183 tors. eta vs tors. theta energy: -66.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -774.009422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.009422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.009422 (E_RNA) where: Base-Base interactions energy: -354.715 where: short stacking energy: -297.998 Base-Backbone interact. energy: -2.280 local terms energy: -417.014559 where: bonds (distance) C4'-P energy: -86.905 bonds (distance) P-C4' energy: -104.223 flat angles C4'-P-C4' energy: -86.754 flat angles P-C4'-P energy: -67.394 tors. eta vs tors. theta energy: -71.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -702.822318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.822318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.822318 (E_RNA) where: Base-Base interactions energy: -316.362 where: short stacking energy: -297.815 Base-Backbone interact. energy: -0.805 local terms energy: -385.654649 where: bonds (distance) C4'-P energy: -86.104 bonds (distance) P-C4' energy: -88.178 flat angles C4'-P-C4' energy: -92.896 flat angles P-C4'-P energy: -64.891 tors. eta vs tors. theta energy: -53.586 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: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -634.562766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.562766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.562766 (E_RNA) where: Base-Base interactions energy: -275.358 where: short stacking energy: -245.876 Base-Backbone interact. energy: 2.680 local terms energy: -361.884977 where: bonds (distance) C4'-P energy: -87.058 bonds (distance) P-C4' energy: -90.157 flat angles C4'-P-C4' energy: -82.741 flat angles P-C4'-P energy: -55.242 tors. eta vs tors. theta energy: -46.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -569.153410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.153410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.153410 (E_RNA) where: Base-Base interactions energy: -258.300 where: short stacking energy: -208.517 Base-Backbone interact. energy: -1.198 local terms energy: -309.655267 where: bonds (distance) C4'-P energy: -100.788 bonds (distance) P-C4' energy: -89.085 flat angles C4'-P-C4' energy: -70.156 flat angles P-C4'-P energy: -30.351 tors. eta vs tors. theta energy: -19.275 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: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -512.155444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.155444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.155444 (E_RNA) where: Base-Base interactions energy: -209.009 where: short stacking energy: -193.806 Base-Backbone interact. energy: -1.428 local terms energy: -301.718551 where: bonds (distance) C4'-P energy: -82.216 bonds (distance) P-C4' energy: -94.165 flat angles C4'-P-C4' energy: -80.013 flat angles P-C4'-P energy: -35.239 tors. eta vs tors. theta energy: -10.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -500.205144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.205144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.205144 (E_RNA) where: Base-Base interactions energy: -238.125 where: short stacking energy: -161.177 Base-Backbone interact. energy: -0.756 local terms energy: -261.323863 where: bonds (distance) C4'-P energy: -81.719 bonds (distance) P-C4' energy: -99.791 flat angles C4'-P-C4' energy: -58.777 flat angles P-C4'-P energy: -14.263 tors. eta vs tors. theta energy: -6.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -438.516675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.516675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.516675 (E_RNA) where: Base-Base interactions energy: -178.369 where: short stacking energy: -124.627 Base-Backbone interact. energy: -2.755 local terms energy: -257.392271 where: bonds (distance) C4'-P energy: -87.737 bonds (distance) P-C4' energy: -70.710 flat angles C4'-P-C4' energy: -66.182 flat angles P-C4'-P energy: -45.886 tors. eta vs tors. theta energy: 13.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -417.635108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.635108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.635108 (E_RNA) where: Base-Base interactions energy: -173.351 where: short stacking energy: -142.840 Base-Backbone interact. energy: -1.332 local terms energy: -242.951642 where: bonds (distance) C4'-P energy: -70.936 bonds (distance) P-C4' energy: -81.996 flat angles C4'-P-C4' energy: -59.158 flat angles P-C4'-P energy: -38.986 tors. eta vs tors. theta energy: 8.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -979.245445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.245445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.245445 (E_RNA) where: Base-Base interactions energy: -513.150 where: short stacking energy: -407.464 Base-Backbone interact. energy: -1.877 local terms energy: -464.217975 where: bonds (distance) C4'-P energy: -92.915 bonds (distance) P-C4' energy: -104.702 flat angles C4'-P-C4' energy: -102.655 flat angles P-C4'-P energy: -65.984 tors. eta vs tors. theta energy: -97.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -850.014812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.014812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.014812 (E_RNA) where: Base-Base interactions energy: -421.041 where: short stacking energy: -333.534 Base-Backbone interact. energy: -0.383 local terms energy: -428.591683 where: bonds (distance) C4'-P energy: -96.147 bonds (distance) P-C4' energy: -91.674 flat angles C4'-P-C4' energy: -105.846 flat angles P-C4'-P energy: -55.697 tors. eta vs tors. theta energy: -79.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -795.509992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.509992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.509992 (E_RNA) where: Base-Base interactions energy: -380.051 where: short stacking energy: -316.866 Base-Backbone interact. energy: -1.854 local terms energy: -413.605234 where: bonds (distance) C4'-P energy: -92.939 bonds (distance) P-C4' energy: -82.795 flat angles C4'-P-C4' energy: -98.319 flat angles P-C4'-P energy: -57.469 tors. eta vs tors. theta energy: -82.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -710.816503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.816503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.816503 (E_RNA) where: Base-Base interactions energy: -339.564 where: short stacking energy: -275.883 Base-Backbone interact. energy: -0.563 local terms energy: -370.689269 where: bonds (distance) C4'-P energy: -91.941 bonds (distance) P-C4' energy: -91.994 flat angles C4'-P-C4' energy: -90.186 flat angles P-C4'-P energy: -64.374 tors. eta vs tors. theta energy: -32.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -673.629859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.629859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.629859 (E_RNA) where: Base-Base interactions energy: -319.217 where: short stacking energy: -215.680 Base-Backbone interact. energy: -0.380 local terms energy: -354.033677 where: bonds (distance) C4'-P energy: -81.830 bonds (distance) P-C4' energy: -94.792 flat angles C4'-P-C4' energy: -86.583 flat angles P-C4'-P energy: -59.411 tors. eta vs tors. theta energy: -31.418 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: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -604.245790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.245790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.245790 (E_RNA) where: Base-Base interactions energy: -291.541 where: short stacking energy: -189.705 Base-Backbone interact. energy: 0.136 local terms energy: -312.841300 where: bonds (distance) C4'-P energy: -91.245 bonds (distance) P-C4' energy: -88.800 flat angles C4'-P-C4' energy: -83.385 flat angles P-C4'-P energy: -30.699 tors. eta vs tors. theta energy: -18.712 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: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -588.130680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.130680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.130680 (E_RNA) where: Base-Base interactions energy: -284.244 where: short stacking energy: -182.612 Base-Backbone interact. energy: -1.586 local terms energy: -302.300843 where: bonds (distance) C4'-P energy: -82.645 bonds (distance) P-C4' energy: -90.242 flat angles C4'-P-C4' energy: -65.740 flat angles P-C4'-P energy: -42.869 tors. eta vs tors. theta energy: -20.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -462.746595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.746595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.746595 (E_RNA) where: Base-Base interactions energy: -156.884 where: short stacking energy: -138.546 Base-Backbone interact. energy: -0.732 local terms energy: -305.130258 where: bonds (distance) C4'-P energy: -99.325 bonds (distance) P-C4' energy: -93.716 flat angles C4'-P-C4' energy: -67.618 flat angles P-C4'-P energy: -46.677 tors. eta vs tors. theta energy: 2.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -524.803773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.803773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.803773 (E_RNA) where: Base-Base interactions energy: -253.124 where: short stacking energy: -173.349 Base-Backbone interact. energy: -0.853 local terms energy: -270.826640 where: bonds (distance) C4'-P energy: -77.782 bonds (distance) P-C4' energy: -88.399 flat angles C4'-P-C4' energy: -76.503 flat angles P-C4'-P energy: -31.913 tors. eta vs tors. theta energy: 3.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -437.264232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.264232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.264232 (E_RNA) where: Base-Base interactions energy: -190.558 where: short stacking energy: -163.347 Base-Backbone interact. energy: -0.674 local terms energy: -246.032899 where: bonds (distance) C4'-P energy: -75.354 bonds (distance) P-C4' energy: -78.501 flat angles C4'-P-C4' energy: -75.139 flat angles P-C4'-P energy: -22.513 tors. eta vs tors. theta energy: 5.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -1111.760712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.760712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.760712 (E_RNA) where: Base-Base interactions energy: -630.386 where: short stacking energy: -455.413 Base-Backbone interact. energy: -0.280 local terms energy: -481.094000 where: bonds (distance) C4'-P energy: -89.875 bonds (distance) P-C4' energy: -96.916 flat angles C4'-P-C4' energy: -108.322 flat angles P-C4'-P energy: -67.239 tors. eta vs tors. theta energy: -118.741 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: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -974.148211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.148211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.148211 (E_RNA) where: Base-Base interactions energy: -514.529 where: short stacking energy: -383.321 Base-Backbone interact. energy: -0.428 local terms energy: -459.191453 where: bonds (distance) C4'-P energy: -89.989 bonds (distance) P-C4' energy: -106.701 flat angles C4'-P-C4' energy: -107.364 flat angles P-C4'-P energy: -71.030 tors. eta vs tors. theta energy: -84.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -863.676425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.676425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.676425 (E_RNA) where: Base-Base interactions energy: -434.851 where: short stacking energy: -325.168 Base-Backbone interact. energy: -0.790 local terms energy: -428.035684 where: bonds (distance) C4'-P energy: -93.109 bonds (distance) P-C4' energy: -99.101 flat angles C4'-P-C4' energy: -93.684 flat angles P-C4'-P energy: -61.357 tors. eta vs tors. theta energy: -80.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -760.839640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.839640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.839640 (E_RNA) where: Base-Base interactions energy: -382.542 where: short stacking energy: -289.199 Base-Backbone interact. energy: 1.187 local terms energy: -379.484387 where: bonds (distance) C4'-P energy: -94.181 bonds (distance) P-C4' energy: -96.311 flat angles C4'-P-C4' energy: -87.982 flat angles P-C4'-P energy: -46.914 tors. eta vs tors. theta energy: -54.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -743.671059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.671059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.671059 (E_RNA) where: Base-Base interactions energy: -357.045 where: short stacking energy: -249.135 Base-Backbone interact. energy: -0.852 local terms energy: -385.773164 where: bonds (distance) C4'-P energy: -84.862 bonds (distance) P-C4' energy: -109.677 flat angles C4'-P-C4' energy: -91.398 flat angles P-C4'-P energy: -58.096 tors. eta vs tors. theta energy: -41.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -647.820113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.820113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.820113 (E_RNA) where: Base-Base interactions energy: -323.859 where: short stacking energy: -219.372 Base-Backbone interact. energy: 5.517 local terms energy: -329.478028 where: bonds (distance) C4'-P energy: -79.409 bonds (distance) P-C4' energy: -83.837 flat angles C4'-P-C4' energy: -85.603 flat angles P-C4'-P energy: -61.497 tors. eta vs tors. theta energy: -19.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -708.012986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.012986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.012986 (E_RNA) where: Base-Base interactions energy: -366.658 where: short stacking energy: -222.338 Base-Backbone interact. energy: -0.918 local terms energy: -340.436769 where: bonds (distance) C4'-P energy: -79.698 bonds (distance) P-C4' energy: -89.582 flat angles C4'-P-C4' energy: -78.986 flat angles P-C4'-P energy: -53.390 tors. eta vs tors. theta energy: -38.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -559.777507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.777507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.777507 (E_RNA) where: Base-Base interactions energy: -270.888 where: short stacking energy: -197.047 Base-Backbone interact. energy: 3.304 local terms energy: -292.193046 where: bonds (distance) C4'-P energy: -70.525 bonds (distance) P-C4' energy: -85.546 flat angles C4'-P-C4' energy: -79.089 flat angles P-C4'-P energy: -48.942 tors. eta vs tors. theta energy: -8.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -475.450538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.450538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.450538 (E_RNA) where: Base-Base interactions energy: -189.014 where: short stacking energy: -162.786 Base-Backbone interact. energy: -1.375 local terms energy: -285.061510 where: bonds (distance) C4'-P energy: -63.222 bonds (distance) P-C4' energy: -66.667 flat angles C4'-P-C4' energy: -83.004 flat angles P-C4'-P energy: -49.162 tors. eta vs tors. theta energy: -23.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -438.695305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.695305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.695305 (E_RNA) where: Base-Base interactions energy: -177.813 where: short stacking energy: -157.118 Base-Backbone interact. energy: 0.249 local terms energy: -261.131675 where: bonds (distance) C4'-P energy: -71.600 bonds (distance) P-C4' energy: -78.704 flat angles C4'-P-C4' energy: -59.988 flat angles P-C4'-P energy: -52.771 tors. eta vs tors. theta energy: 1.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -1091.254348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.254348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.254348 (E_RNA) where: Base-Base interactions energy: -619.727 where: short stacking energy: -395.012 Base-Backbone interact. energy: -0.797 local terms energy: -470.730333 where: bonds (distance) C4'-P energy: -109.104 bonds (distance) P-C4' energy: -99.127 flat angles C4'-P-C4' energy: -98.595 flat angles P-C4'-P energy: -63.044 tors. eta vs tors. theta energy: -100.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -988.268016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.268016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.268016 (E_RNA) where: Base-Base interactions energy: -504.957 where: short stacking energy: -371.638 Base-Backbone interact. energy: -0.300 local terms energy: -483.010998 where: bonds (distance) C4'-P energy: -90.733 bonds (distance) P-C4' energy: -111.815 flat angles C4'-P-C4' energy: -119.238 flat angles P-C4'-P energy: -65.127 tors. eta vs tors. theta energy: -96.098 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: 3 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -864.747802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.747802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.747802 (E_RNA) where: Base-Base interactions energy: -441.870 where: short stacking energy: -301.841 Base-Backbone interact. energy: 3.810 local terms energy: -426.687997 where: bonds (distance) C4'-P energy: -88.647 bonds (distance) P-C4' energy: -106.165 flat angles C4'-P-C4' energy: -94.073 flat angles P-C4'-P energy: -69.120 tors. eta vs tors. theta energy: -68.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -809.306267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.306267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.306267 (E_RNA) where: Base-Base interactions energy: -419.265 where: short stacking energy: -266.045 Base-Backbone interact. energy: 1.024 local terms energy: -391.065465 where: bonds (distance) C4'-P energy: -80.955 bonds (distance) P-C4' energy: -105.132 flat angles C4'-P-C4' energy: -101.418 flat angles P-C4'-P energy: -57.415 tors. eta vs tors. theta energy: -46.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -736.899424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.899424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.899424 (E_RNA) where: Base-Base interactions energy: -379.998 where: short stacking energy: -265.715 Base-Backbone interact. energy: -0.412 local terms energy: -356.489507 where: bonds (distance) C4'-P energy: -90.072 bonds (distance) P-C4' energy: -86.940 flat angles C4'-P-C4' energy: -83.921 flat angles P-C4'-P energy: -46.687 tors. eta vs tors. theta energy: -48.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -697.178312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.178312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.178312 (E_RNA) where: Base-Base interactions energy: -394.945 where: short stacking energy: -223.271 Base-Backbone interact. energy: 10.111 local terms energy: -312.344422 where: bonds (distance) C4'-P energy: -63.592 bonds (distance) P-C4' energy: -98.483 flat angles C4'-P-C4' energy: -83.252 flat angles P-C4'-P energy: -43.871 tors. eta vs tors. theta energy: -23.147 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: 9 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -780.691711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.691711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.691711 (E_RNA) where: Base-Base interactions energy: -424.700 where: short stacking energy: -208.688 Base-Backbone interact. energy: -2.982 local terms energy: -353.010278 where: bonds (distance) C4'-P energy: -93.118 bonds (distance) P-C4' energy: -89.797 flat angles C4'-P-C4' energy: -79.320 flat angles P-C4'-P energy: -49.753 tors. eta vs tors. theta energy: -41.022 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: 6 Temperature: 1.250000 Total energy: -644.661635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.661635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.661635 (E_RNA) where: Base-Base interactions energy: -332.754 where: short stacking energy: -164.832 Base-Backbone interact. energy: -1.192 local terms energy: -310.715811 where: bonds (distance) C4'-P energy: -76.049 bonds (distance) P-C4' energy: -76.190 flat angles C4'-P-C4' energy: -88.946 flat angles P-C4'-P energy: -50.228 tors. eta vs tors. theta energy: -19.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -505.346226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.346226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.346226 (E_RNA) where: Base-Base interactions energy: -226.937 where: short stacking energy: -182.030 Base-Backbone interact. energy: 0.129 local terms energy: -278.537986 where: bonds (distance) C4'-P energy: -84.099 bonds (distance) P-C4' energy: -80.823 flat angles C4'-P-C4' energy: -58.327 flat angles P-C4'-P energy: -48.916 tors. eta vs tors. theta energy: -6.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -527.222311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.222311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.222311 (E_RNA) where: Base-Base interactions energy: -260.872 where: short stacking energy: -146.821 Base-Backbone interact. energy: 0.692 local terms energy: -267.042427 where: bonds (distance) C4'-P energy: -74.723 bonds (distance) P-C4' energy: -75.987 flat angles C4'-P-C4' energy: -67.308 flat angles P-C4'-P energy: -42.799 tors. eta vs tors. theta energy: -6.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -1188.878003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.878003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.878003 (E_RNA) where: Base-Base interactions energy: -711.954 where: short stacking energy: -413.276 Base-Backbone interact. energy: -1.279 local terms energy: -475.644683 where: bonds (distance) C4'-P energy: -94.373 bonds (distance) P-C4' energy: -103.079 flat angles C4'-P-C4' energy: -105.698 flat angles P-C4'-P energy: -60.312 tors. eta vs tors. theta energy: -112.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -1055.314278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.314278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.314278 (E_RNA) where: Base-Base interactions energy: -597.261 where: short stacking energy: -407.225 Base-Backbone interact. energy: 1.505 local terms energy: -459.558464 where: bonds (distance) C4'-P energy: -94.415 bonds (distance) P-C4' energy: -84.764 flat angles C4'-P-C4' energy: -106.580 flat angles P-C4'-P energy: -73.009 tors. eta vs tors. theta energy: -100.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -904.806512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.806512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.806512 (E_RNA) where: Base-Base interactions energy: -479.624 where: short stacking energy: -344.841 Base-Backbone interact. energy: -2.298 local terms energy: -422.884327 where: bonds (distance) C4'-P energy: -88.559 bonds (distance) P-C4' energy: -99.011 flat angles C4'-P-C4' energy: -94.124 flat angles P-C4'-P energy: -56.837 tors. eta vs tors. theta energy: -84.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -861.468088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.468088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.468088 (E_RNA) where: Base-Base interactions energy: -491.951 where: short stacking energy: -280.783 Base-Backbone interact. energy: -1.909 local terms energy: -367.608044 where: bonds (distance) C4'-P energy: -70.032 bonds (distance) P-C4' energy: -89.083 flat angles C4'-P-C4' energy: -91.347 flat angles P-C4'-P energy: -77.046 tors. eta vs tors. theta energy: -40.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -810.569242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.569242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.569242 (E_RNA) where: Base-Base interactions energy: -433.132 where: short stacking energy: -288.013 Base-Backbone interact. energy: 1.065 local terms energy: -378.502593 where: bonds (distance) C4'-P energy: -77.077 bonds (distance) P-C4' energy: -102.163 flat angles C4'-P-C4' energy: -85.754 flat angles P-C4'-P energy: -49.287 tors. eta vs tors. theta energy: -64.222 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: 6, replica: 9 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -860.930947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.930947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.930947 (E_RNA) where: Base-Base interactions energy: -489.680 where: short stacking energy: -281.760 Base-Backbone interact. energy: -1.284 local terms energy: -369.967706 where: bonds (distance) C4'-P energy: -82.383 bonds (distance) P-C4' energy: -85.478 flat angles C4'-P-C4' energy: -99.063 flat angles P-C4'-P energy: -53.445 tors. eta vs tors. theta energy: -49.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -686.586490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.586490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.586490 (E_RNA) where: Base-Base interactions energy: -382.791 where: short stacking energy: -225.933 Base-Backbone interact. energy: 1.630 local terms energy: -305.425835 where: bonds (distance) C4'-P energy: -84.199 bonds (distance) P-C4' energy: -70.233 flat angles C4'-P-C4' energy: -72.904 flat angles P-C4'-P energy: -43.335 tors. eta vs tors. theta energy: -34.755 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: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -773.270068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.270068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.270068 (E_RNA) where: Base-Base interactions energy: -445.969 where: short stacking energy: -237.491 Base-Backbone interact. energy: -1.418 local terms energy: -325.883356 where: bonds (distance) C4'-P energy: -84.201 bonds (distance) P-C4' energy: -83.023 flat angles C4'-P-C4' energy: -70.211 flat angles P-C4'-P energy: -61.763 tors. eta vs tors. theta energy: -26.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -544.037445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.037445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.037445 (E_RNA) where: Base-Base interactions energy: -282.235 where: short stacking energy: -163.650 Base-Backbone interact. energy: 2.483 local terms energy: -264.285661 where: bonds (distance) C4'-P energy: -74.370 bonds (distance) P-C4' energy: -81.267 flat angles C4'-P-C4' energy: -57.668 flat angles P-C4'-P energy: -46.541 tors. eta vs tors. theta energy: -4.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -484.755348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.755348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.755348 (E_RNA) where: Base-Base interactions energy: -213.933 where: short stacking energy: -141.089 Base-Backbone interact. energy: -1.495 local terms energy: -269.327139 where: bonds (distance) C4'-P energy: -69.582 bonds (distance) P-C4' energy: -87.498 flat angles C4'-P-C4' energy: -76.818 flat angles P-C4'-P energy: -44.642 tors. eta vs tors. theta energy: 9.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -1256.428935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.428935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.428935 (E_RNA) where: Base-Base interactions energy: -778.312 where: short stacking energy: -439.997 Base-Backbone interact. energy: -0.661 local terms energy: -477.455253 where: bonds (distance) C4'-P energy: -98.960 bonds (distance) P-C4' energy: -98.953 flat angles C4'-P-C4' energy: -104.707 flat angles P-C4'-P energy: -70.147 tors. eta vs tors. theta energy: -104.689 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: 8 Temperature: 0.950000 Total energy: -1050.772399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.772399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.772399 (E_RNA) where: Base-Base interactions energy: -593.175 where: short stacking energy: -399.825 Base-Backbone interact. energy: 0.067 local terms energy: -457.663852 where: bonds (distance) C4'-P energy: -92.962 bonds (distance) P-C4' energy: -94.558 flat angles C4'-P-C4' energy: -104.196 flat angles P-C4'-P energy: -66.223 tors. eta vs tors. theta energy: -99.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -1004.385457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.385457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.385457 (E_RNA) where: Base-Base interactions energy: -567.813 where: short stacking energy: -325.651 Base-Backbone interact. energy: -0.908 local terms energy: -435.664128 where: bonds (distance) C4'-P energy: -90.021 bonds (distance) P-C4' energy: -111.146 flat angles C4'-P-C4' energy: -104.991 flat angles P-C4'-P energy: -61.670 tors. eta vs tors. theta energy: -67.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -858.357044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.357044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.357044 (E_RNA) where: Base-Base interactions energy: -445.790 where: short stacking energy: -294.889 Base-Backbone interact. energy: 0.947 local terms energy: -413.513964 where: bonds (distance) C4'-P energy: -99.419 bonds (distance) P-C4' energy: -83.992 flat angles C4'-P-C4' energy: -96.920 flat angles P-C4'-P energy: -61.235 tors. eta vs tors. theta energy: -71.948 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: 4 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -769.766255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.766255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.766255 (E_RNA) where: Base-Base interactions energy: -392.996 where: short stacking energy: -242.331 Base-Backbone interact. energy: 3.034 local terms energy: -379.804138 where: bonds (distance) C4'-P energy: -98.545 bonds (distance) P-C4' energy: -95.562 flat angles C4'-P-C4' energy: -99.038 flat angles P-C4'-P energy: -48.181 tors. eta vs tors. theta energy: -38.477 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: 9 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -869.817346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.817346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.817346 (E_RNA) where: Base-Base interactions energy: -539.286 where: short stacking energy: -273.185 Base-Backbone interact. energy: 1.854 local terms energy: -332.386180 where: bonds (distance) C4'-P energy: -62.183 bonds (distance) P-C4' energy: -83.167 flat angles C4'-P-C4' energy: -73.336 flat angles P-C4'-P energy: -57.725 tors. eta vs tors. theta energy: -55.975 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: 8 Temperature: 1.200000 Total energy: -922.684933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.684933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.684933 (E_RNA) where: Base-Base interactions energy: -576.253 where: short stacking energy: -304.256 Base-Backbone interact. energy: -3.028 local terms energy: -343.403718 where: bonds (distance) C4'-P energy: -87.238 bonds (distance) P-C4' energy: -70.738 flat angles C4'-P-C4' energy: -73.134 flat angles P-C4'-P energy: -58.790 tors. eta vs tors. theta energy: -53.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -668.615440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.615440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.615440 (E_RNA) where: Base-Base interactions energy: -374.085 where: short stacking energy: -210.634 Base-Backbone interact. energy: 3.695 local terms energy: -298.225529 where: bonds (distance) C4'-P energy: -87.679 bonds (distance) P-C4' energy: -92.637 flat angles C4'-P-C4' energy: -65.842 flat angles P-C4'-P energy: -37.463 tors. eta vs tors. theta energy: -14.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -544.359697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.359697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.359697 (E_RNA) where: Base-Base interactions energy: -264.416 where: short stacking energy: -156.941 Base-Backbone interact. energy: 0.545 local terms energy: -280.487829 where: bonds (distance) C4'-P energy: -76.613 bonds (distance) P-C4' energy: -81.412 flat angles C4'-P-C4' energy: -67.840 flat angles P-C4'-P energy: -50.762 tors. eta vs tors. theta energy: -3.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -500.220223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.220223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.220223 (E_RNA) where: Base-Base interactions energy: -237.310 where: short stacking energy: -172.199 Base-Backbone interact. energy: -0.825 local terms energy: -262.084593 where: bonds (distance) C4'-P energy: -71.378 bonds (distance) P-C4' energy: -81.397 flat angles C4'-P-C4' energy: -79.400 flat angles P-C4'-P energy: -28.028 tors. eta vs tors. theta energy: -1.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -1244.280194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.280194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.280194 (E_RNA) where: Base-Base interactions energy: -775.995 where: short stacking energy: -428.787 Base-Backbone interact. energy: 6.308 local terms energy: -474.593354 where: bonds (distance) C4'-P energy: -104.892 bonds (distance) P-C4' energy: -96.592 flat angles C4'-P-C4' energy: -104.655 flat angles P-C4'-P energy: -62.186 tors. eta vs tors. theta energy: -106.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -1038.217014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.217014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.217014 (E_RNA) where: Base-Base interactions energy: -580.367 where: short stacking energy: -363.510 Base-Backbone interact. energy: -1.527 local terms energy: -456.322552 where: bonds (distance) C4'-P energy: -99.204 bonds (distance) P-C4' energy: -93.103 flat angles C4'-P-C4' energy: -107.151 flat angles P-C4'-P energy: -68.312 tors. eta vs tors. theta energy: -88.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -1021.981916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.981916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.981916 (E_RNA) where: Base-Base interactions energy: -631.441 where: short stacking energy: -342.825 Base-Backbone interact. energy: -0.279 local terms energy: -390.261209 where: bonds (distance) C4'-P energy: -83.261 bonds (distance) P-C4' energy: -95.346 flat angles C4'-P-C4' energy: -95.537 flat angles P-C4'-P energy: -58.644 tors. eta vs tors. theta energy: -57.473 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: 9 Temperature: 1.050000 Total energy: -967.446586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.446586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.446586 (E_RNA) where: Base-Base interactions energy: -559.731 where: short stacking energy: -342.129 Base-Backbone interact. energy: -1.831 local terms energy: -405.884075 where: bonds (distance) C4'-P energy: -77.505 bonds (distance) P-C4' energy: -94.699 flat angles C4'-P-C4' energy: -96.691 flat angles P-C4'-P energy: -59.945 tors. eta vs tors. theta energy: -77.044 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: 4 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -818.404709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.404709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.404709 (E_RNA) where: Base-Base interactions energy: -443.913 where: short stacking energy: -267.045 Base-Backbone interact. energy: -2.064 local terms energy: -372.428018 where: bonds (distance) C4'-P energy: -84.416 bonds (distance) P-C4' energy: -89.915 flat angles C4'-P-C4' energy: -91.643 flat angles P-C4'-P energy: -64.338 tors. eta vs tors. theta energy: -42.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -995.766770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.766770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.766770 (E_RNA) where: Base-Base interactions energy: -603.267 where: short stacking energy: -311.926 Base-Backbone interact. energy: -1.027 local terms energy: -391.473375 where: bonds (distance) C4'-P energy: -94.200 bonds (distance) P-C4' energy: -86.010 flat angles C4'-P-C4' energy: -84.839 flat angles P-C4'-P energy: -54.261 tors. eta vs tors. theta energy: -72.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -845.808156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.808156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.808156 (E_RNA) where: Base-Base interactions energy: -513.375 where: short stacking energy: -254.797 Base-Backbone interact. energy: -1.366 local terms energy: -331.067363 where: bonds (distance) C4'-P energy: -77.715 bonds (distance) P-C4' energy: -93.700 flat angles C4'-P-C4' energy: -69.840 flat angles P-C4'-P energy: -51.869 tors. eta vs tors. theta energy: -37.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -617.898058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.898058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.898058 (E_RNA) where: Base-Base interactions energy: -305.386 where: short stacking energy: -187.703 Base-Backbone interact. energy: -0.340 local terms energy: -312.171841 where: bonds (distance) C4'-P energy: -79.434 bonds (distance) P-C4' energy: -84.748 flat angles C4'-P-C4' energy: -75.918 flat angles P-C4'-P energy: -59.714 tors. eta vs tors. theta energy: -12.357 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: 7 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -555.372980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.372980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.372980 (E_RNA) where: Base-Base interactions energy: -300.361 where: short stacking energy: -171.798 Base-Backbone interact. energy: -0.252 local terms energy: -254.759805 where: bonds (distance) C4'-P energy: -89.067 bonds (distance) P-C4' energy: -78.374 flat angles C4'-P-C4' energy: -66.999 flat angles P-C4'-P energy: -22.469 tors. eta vs tors. theta energy: 2.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -476.977897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.977897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.977897 (E_RNA) where: Base-Base interactions energy: -199.194 where: short stacking energy: -138.545 Base-Backbone interact. energy: -1.802 local terms energy: -275.982424 where: bonds (distance) C4'-P energy: -84.958 bonds (distance) P-C4' energy: -99.610 flat angles C4'-P-C4' energy: -55.689 flat angles P-C4'-P energy: -39.834 tors. eta vs tors. theta energy: 4.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -1299.062507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.062507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.062507 (E_RNA) where: Base-Base interactions energy: -806.315 where: short stacking energy: -425.968 Base-Backbone interact. energy: -0.914 local terms energy: -491.833459 where: bonds (distance) C4'-P energy: -103.748 bonds (distance) P-C4' energy: -99.033 flat angles C4'-P-C4' energy: -114.710 flat angles P-C4'-P energy: -68.046 tors. eta vs tors. theta energy: -106.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -1095.953276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.953276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.953276 (E_RNA) where: Base-Base interactions energy: -627.039 where: short stacking energy: -361.674 Base-Backbone interact. energy: -2.488 local terms energy: -466.425774 where: bonds (distance) C4'-P energy: -88.151 bonds (distance) P-C4' energy: -112.902 flat angles C4'-P-C4' energy: -103.555 flat angles P-C4'-P energy: -79.434 tors. eta vs tors. theta energy: -82.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -1043.908759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.908759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.908759 (E_RNA) where: Base-Base interactions energy: -628.028 where: short stacking energy: -346.922 Base-Backbone interact. energy: -2.273 local terms energy: -413.607902 where: bonds (distance) C4'-P energy: -85.445 bonds (distance) P-C4' energy: -103.579 flat angles C4'-P-C4' energy: -91.404 flat angles P-C4'-P energy: -59.397 tors. eta vs tors. theta energy: -73.782 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: 10 Temperature: 1.050000 Total energy: -1006.536512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.536512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.536512 (E_RNA) where: Base-Base interactions energy: -597.024 where: short stacking energy: -334.681 Base-Backbone interact. energy: -1.690 local terms energy: -407.822741 where: bonds (distance) C4'-P energy: -89.087 bonds (distance) P-C4' energy: -89.977 flat angles C4'-P-C4' energy: -94.893 flat angles P-C4'-P energy: -63.331 tors. eta vs tors. theta energy: -70.535 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: 5, replica: 8 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -1070.712414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.712414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.712414 (E_RNA) where: Base-Base interactions energy: -674.338 where: short stacking energy: -342.080 Base-Backbone interact. energy: -0.786 local terms energy: -395.587913 where: bonds (distance) C4'-P energy: -88.373 bonds (distance) P-C4' energy: -93.991 flat angles C4'-P-C4' energy: -99.273 flat angles P-C4'-P energy: -45.566 tors. eta vs tors. theta energy: -68.384 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: 6, replica: 4 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -784.931814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.931814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.931814 (E_RNA) where: Base-Base interactions energy: -414.676 where: short stacking energy: -241.679 Base-Backbone interact. energy: -3.241 local terms energy: -367.014786 where: bonds (distance) C4'-P energy: -87.170 bonds (distance) P-C4' energy: -86.576 flat angles C4'-P-C4' energy: -91.734 flat angles P-C4'-P energy: -61.149 tors. eta vs tors. theta energy: -40.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -849.800273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.800273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.800273 (E_RNA) where: Base-Base interactions energy: -520.625 where: short stacking energy: -255.414 Base-Backbone interact. energy: -0.671 local terms energy: -328.504547 where: bonds (distance) C4'-P energy: -70.964 bonds (distance) P-C4' energy: -82.535 flat angles C4'-P-C4' energy: -86.749 flat angles P-C4'-P energy: -52.973 tors. eta vs tors. theta energy: -35.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -605.998451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.998451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.998451 (E_RNA) where: Base-Base interactions energy: -299.402 where: short stacking energy: -197.921 Base-Backbone interact. energy: -0.219 local terms energy: -306.377728 where: bonds (distance) C4'-P energy: -94.243 bonds (distance) P-C4' energy: -79.068 flat angles C4'-P-C4' energy: -70.487 flat angles P-C4'-P energy: -44.413 tors. eta vs tors. theta energy: -18.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -597.985148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.985148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.985148 (E_RNA) where: Base-Base interactions energy: -310.497 where: short stacking energy: -176.951 Base-Backbone interact. energy: 0.480 local terms energy: -287.967628 where: bonds (distance) C4'-P energy: -80.530 bonds (distance) P-C4' energy: -76.315 flat angles C4'-P-C4' energy: -69.492 flat angles P-C4'-P energy: -54.088 tors. eta vs tors. theta energy: -7.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -496.902554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.902554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.902554 (E_RNA) where: Base-Base interactions energy: -208.759 where: short stacking energy: -135.298 Base-Backbone interact. energy: 2.126 local terms energy: -290.270179 where: bonds (distance) C4'-P energy: -82.803 bonds (distance) P-C4' energy: -87.801 flat angles C4'-P-C4' energy: -73.970 flat angles P-C4'-P energy: -47.012 tors. eta vs tors. theta energy: 1.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -1334.465389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.465389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.465389 (E_RNA) where: Base-Base interactions energy: -841.460 where: short stacking energy: -429.162 Base-Backbone interact. energy: -1.751 local terms energy: -491.254548 where: bonds (distance) C4'-P energy: -113.094 bonds (distance) P-C4' energy: -96.361 flat angles C4'-P-C4' energy: -107.508 flat angles P-C4'-P energy: -70.591 tors. eta vs tors. theta energy: -103.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -1171.599027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.599027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.599027 (E_RNA) where: Base-Base interactions energy: -711.239 where: short stacking energy: -403.732 Base-Backbone interact. energy: 0.184 local terms energy: -460.544245 where: bonds (distance) C4'-P energy: -95.991 bonds (distance) P-C4' energy: -105.533 flat angles C4'-P-C4' energy: -99.711 flat angles P-C4'-P energy: -71.065 tors. eta vs tors. theta energy: -88.244 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: 3 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -1174.302755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.302755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.302755 (E_RNA) where: Base-Base interactions energy: -728.048 where: short stacking energy: -343.928 Base-Backbone interact. energy: 0.841 local terms energy: -447.095503 where: bonds (distance) C4'-P energy: -99.158 bonds (distance) P-C4' energy: -94.960 flat angles C4'-P-C4' energy: -106.808 flat angles P-C4'-P energy: -68.907 tors. eta vs tors. theta energy: -77.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -1136.369592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.369592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.369592 (E_RNA) where: Base-Base interactions energy: -732.648 where: short stacking energy: -366.488 Base-Backbone interact. energy: 0.099 local terms energy: -403.820301 where: bonds (distance) C4'-P energy: -83.513 bonds (distance) P-C4' energy: -85.211 flat angles C4'-P-C4' energy: -91.046 flat angles P-C4'-P energy: -69.358 tors. eta vs tors. theta energy: -74.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -955.314413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.314413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.314413 (E_RNA) where: Base-Base interactions energy: -584.723 where: short stacking energy: -282.688 Base-Backbone interact. energy: -1.611 local terms energy: -368.981007 where: bonds (distance) C4'-P energy: -89.428 bonds (distance) P-C4' energy: -77.362 flat angles C4'-P-C4' energy: -93.801 flat angles P-C4'-P energy: -60.177 tors. eta vs tors. theta energy: -48.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -925.436533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.436533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.436533 (E_RNA) where: Base-Base interactions energy: -553.060 where: short stacking energy: -281.316 Base-Backbone interact. energy: -1.282 local terms energy: -371.095251 where: bonds (distance) C4'-P energy: -77.768 bonds (distance) P-C4' energy: -100.450 flat angles C4'-P-C4' energy: -92.184 flat angles P-C4'-P energy: -43.140 tors. eta vs tors. theta energy: -57.553 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: 4 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -749.960622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.960622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.960622 (E_RNA) where: Base-Base interactions energy: -422.742 where: short stacking energy: -230.951 Base-Backbone interact. energy: -2.691 local terms energy: -324.527669 where: bonds (distance) C4'-P energy: -86.823 bonds (distance) P-C4' energy: -86.654 flat angles C4'-P-C4' energy: -82.215 flat angles P-C4'-P energy: -39.973 tors. eta vs tors. theta energy: -28.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -672.929699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.929699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.929699 (E_RNA) where: Base-Base interactions energy: -338.921 where: short stacking energy: -205.233 Base-Backbone interact. energy: -2.748 local terms energy: -331.260888 where: bonds (distance) C4'-P energy: -72.795 bonds (distance) P-C4' energy: -99.197 flat angles C4'-P-C4' energy: -67.924 flat angles P-C4'-P energy: -53.261 tors. eta vs tors. theta energy: -38.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -532.778295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.778295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.778295 (E_RNA) where: Base-Base interactions energy: -248.651 where: short stacking energy: -162.659 Base-Backbone interact. energy: 3.270 local terms energy: -287.397686 where: bonds (distance) C4'-P energy: -72.338 bonds (distance) P-C4' energy: -94.416 flat angles C4'-P-C4' energy: -75.208 flat angles P-C4'-P energy: -38.396 tors. eta vs tors. theta energy: -7.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -458.629638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.629638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.629638 (E_RNA) where: Base-Base interactions energy: -215.537 where: short stacking energy: -122.562 Base-Backbone interact. energy: 1.247 local terms energy: -244.339058 where: bonds (distance) C4'-P energy: -73.811 bonds (distance) P-C4' energy: -84.081 flat angles C4'-P-C4' energy: -68.195 flat angles P-C4'-P energy: -27.624 tors. eta vs tors. theta energy: 9.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -1344.177294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.177294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.177294 (E_RNA) where: Base-Base interactions energy: -844.983 where: short stacking energy: -430.045 Base-Backbone interact. energy: -1.888 local terms energy: -497.305705 where: bonds (distance) C4'-P energy: -110.756 bonds (distance) P-C4' energy: -87.672 flat angles C4'-P-C4' energy: -115.571 flat angles P-C4'-P energy: -76.315 tors. eta vs tors. theta energy: -106.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -1170.007693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.007693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.007693 (E_RNA) where: Base-Base interactions energy: -719.063 where: short stacking energy: -437.967 Base-Backbone interact. energy: -2.210 local terms energy: -448.734418 where: bonds (distance) C4'-P energy: -89.065 bonds (distance) P-C4' energy: -91.442 flat angles C4'-P-C4' energy: -104.679 flat angles P-C4'-P energy: -59.145 tors. eta vs tors. theta energy: -104.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -1179.905783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.905783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.905783 (E_RNA) where: Base-Base interactions energy: -767.557 where: short stacking energy: -392.353 Base-Backbone interact. energy: -0.424 local terms energy: -411.924620 where: bonds (distance) C4'-P energy: -84.539 bonds (distance) P-C4' energy: -86.759 flat angles C4'-P-C4' energy: -91.543 flat angles P-C4'-P energy: -62.497 tors. eta vs tors. theta energy: -86.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -1165.614604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.614604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.614604 (E_RNA) where: Base-Base interactions energy: -743.814 where: short stacking energy: -348.665 Base-Backbone interact. energy: -1.218 local terms energy: -420.582731 where: bonds (distance) C4'-P energy: -92.867 bonds (distance) P-C4' energy: -84.471 flat angles C4'-P-C4' energy: -100.789 flat angles P-C4'-P energy: -60.769 tors. eta vs tors. theta energy: -81.688 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: 5, replica: 9 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -959.716841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.716841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.716841 (E_RNA) where: Base-Base interactions energy: -569.558 where: short stacking energy: -299.497 Base-Backbone interact. energy: -0.029 local terms energy: -390.129540 where: bonds (distance) C4'-P energy: -82.660 bonds (distance) P-C4' energy: -99.538 flat angles C4'-P-C4' energy: -83.029 flat angles P-C4'-P energy: -67.545 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: 6, replica: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -883.108714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.108714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.108714 (E_RNA) where: Base-Base interactions energy: -538.572 where: short stacking energy: -272.110 Base-Backbone interact. energy: 2.574 local terms energy: -347.110434 where: bonds (distance) C4'-P energy: -82.062 bonds (distance) P-C4' energy: -87.684 flat angles C4'-P-C4' energy: -94.017 flat angles P-C4'-P energy: -38.520 tors. eta vs tors. theta energy: -44.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -780.716223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.716223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.716223 (E_RNA) where: Base-Base interactions energy: -453.341 where: short stacking energy: -224.628 Base-Backbone interact. energy: -4.189 local terms energy: -323.186336 where: bonds (distance) C4'-P energy: -79.225 bonds (distance) P-C4' energy: -86.478 flat angles C4'-P-C4' energy: -83.751 flat angles P-C4'-P energy: -48.288 tors. eta vs tors. theta energy: -25.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -632.090002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.090002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.090002 (E_RNA) where: Base-Base interactions energy: -332.045 where: short stacking energy: -189.685 Base-Backbone interact. energy: 2.560 local terms energy: -302.605089 where: bonds (distance) C4'-P energy: -69.443 bonds (distance) P-C4' energy: -75.294 flat angles C4'-P-C4' energy: -77.005 flat angles P-C4'-P energy: -49.582 tors. eta vs tors. theta energy: -31.281 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: 12 Temperature: 1.300000 Total energy: -530.250467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.250467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.250467 (E_RNA) where: Base-Base interactions energy: -264.090 where: short stacking energy: -140.431 Base-Backbone interact. energy: -2.771 local terms energy: -263.389428 where: bonds (distance) C4'-P energy: -78.198 bonds (distance) P-C4' energy: -80.240 flat angles C4'-P-C4' energy: -67.974 flat angles P-C4'-P energy: -42.045 tors. eta vs tors. theta energy: 5.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -469.434456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.434456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.434456 (E_RNA) where: Base-Base interactions energy: -207.492 where: short stacking energy: -124.517 Base-Backbone interact. energy: 0.348 local terms energy: -262.291241 where: bonds (distance) C4'-P energy: -82.900 bonds (distance) P-C4' energy: -79.678 flat angles C4'-P-C4' energy: -71.325 flat angles P-C4'-P energy: -41.560 tors. eta vs tors. theta energy: 13.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -1355.854315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.854315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.854315 (E_RNA) where: Base-Base interactions energy: -881.030 where: short stacking energy: -436.843 Base-Backbone interact. energy: -0.855 local terms energy: -473.969280 where: bonds (distance) C4'-P energy: -96.698 bonds (distance) P-C4' energy: -95.890 flat angles C4'-P-C4' energy: -108.945 flat angles P-C4'-P energy: -69.143 tors. eta vs tors. theta energy: -103.293 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: 2 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -1168.397320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.397320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.397320 (E_RNA) where: Base-Base interactions energy: -718.934 where: short stacking energy: -386.935 Base-Backbone interact. energy: -2.130 local terms energy: -447.333145 where: bonds (distance) C4'-P energy: -89.673 bonds (distance) P-C4' energy: -104.876 flat angles C4'-P-C4' energy: -107.851 flat angles P-C4'-P energy: -53.324 tors. eta vs tors. theta energy: -91.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -1199.294219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.294219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.294219 (E_RNA) where: Base-Base interactions energy: -781.091 where: short stacking energy: -355.411 Base-Backbone interact. energy: -1.644 local terms energy: -416.559006 where: bonds (distance) C4'-P energy: -92.328 bonds (distance) P-C4' energy: -99.063 flat angles C4'-P-C4' energy: -75.377 flat angles P-C4'-P energy: -64.709 tors. eta vs tors. theta energy: -85.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -1187.842453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.842453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.842453 (E_RNA) where: Base-Base interactions energy: -759.981 where: short stacking energy: -366.401 Base-Backbone interact. energy: -0.588 local terms energy: -427.273844 where: bonds (distance) C4'-P energy: -101.498 bonds (distance) P-C4' energy: -88.629 flat angles C4'-P-C4' energy: -90.286 flat angles P-C4'-P energy: -66.806 tors. eta vs tors. theta energy: -80.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -1029.872994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.872994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.872994 (E_RNA) where: Base-Base interactions energy: -622.342 where: short stacking energy: -326.759 Base-Backbone interact. energy: -1.421 local terms energy: -406.109227 where: bonds (distance) C4'-P energy: -81.055 bonds (distance) P-C4' energy: -96.075 flat angles C4'-P-C4' energy: -86.558 flat angles P-C4'-P energy: -61.598 tors. eta vs tors. theta energy: -80.823 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: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -891.277064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.277064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.277064 (E_RNA) where: Base-Base interactions energy: -550.357 where: short stacking energy: -287.690 Base-Backbone interact. energy: 3.244 local terms energy: -344.163308 where: bonds (distance) C4'-P energy: -81.207 bonds (distance) P-C4' energy: -81.354 flat angles C4'-P-C4' energy: -87.607 flat angles P-C4'-P energy: -54.179 tors. eta vs tors. theta energy: -39.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -906.099569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.099569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.099569 (E_RNA) where: Base-Base interactions energy: -555.615 where: short stacking energy: -285.170 Base-Backbone interact. energy: -1.758 local terms energy: -348.726421 where: bonds (distance) C4'-P energy: -79.839 bonds (distance) P-C4' energy: -81.205 flat angles C4'-P-C4' energy: -85.849 flat angles P-C4'-P energy: -59.061 tors. eta vs tors. theta energy: -42.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -606.975338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.975338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.975338 (E_RNA) where: Base-Base interactions energy: -303.917 where: short stacking energy: -192.260 Base-Backbone interact. energy: 1.596 local terms energy: -304.654534 where: bonds (distance) C4'-P energy: -74.116 bonds (distance) P-C4' energy: -89.279 flat angles C4'-P-C4' energy: -79.947 flat angles P-C4'-P energy: -37.699 tors. eta vs tors. theta energy: -23.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -628.944819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.944819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.944819 (E_RNA) where: Base-Base interactions energy: -313.069 where: short stacking energy: -182.189 Base-Backbone interact. energy: -1.609 local terms energy: -314.266588 where: bonds (distance) C4'-P energy: -90.708 bonds (distance) P-C4' energy: -75.452 flat angles C4'-P-C4' energy: -79.523 flat angles P-C4'-P energy: -48.343 tors. eta vs tors. theta energy: -20.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -514.014368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.014368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.014368 (E_RNA) where: Base-Base interactions energy: -249.282 where: short stacking energy: -156.837 Base-Backbone interact. energy: 1.230 local terms energy: -265.961658 where: bonds (distance) C4'-P energy: -81.867 bonds (distance) P-C4' energy: -69.022 flat angles C4'-P-C4' energy: -76.043 flat angles P-C4'-P energy: -43.499 tors. eta vs tors. theta energy: 4.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -1325.454497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.454497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.454497 (E_RNA) where: Base-Base interactions energy: -861.337 where: short stacking energy: -434.754 Base-Backbone interact. energy: -0.072 local terms energy: -464.045109 where: bonds (distance) C4'-P energy: -92.968 bonds (distance) P-C4' energy: -97.295 flat angles C4'-P-C4' energy: -105.086 flat angles P-C4'-P energy: -68.785 tors. eta vs tors. theta energy: -99.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -1172.505543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.505543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.505543 (E_RNA) where: Base-Base interactions energy: -699.765 where: short stacking energy: -401.473 Base-Backbone interact. energy: -2.028 local terms energy: -470.712653 where: bonds (distance) C4'-P energy: -104.185 bonds (distance) P-C4' energy: -91.241 flat angles C4'-P-C4' energy: -107.651 flat angles P-C4'-P energy: -64.960 tors. eta vs tors. theta energy: -102.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -1218.875626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.875626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.875626 (E_RNA) where: Base-Base interactions energy: -785.388 where: short stacking energy: -391.150 Base-Backbone interact. energy: -3.668 local terms energy: -429.820227 where: bonds (distance) C4'-P energy: -94.547 bonds (distance) P-C4' energy: -101.463 flat angles C4'-P-C4' energy: -96.101 flat angles P-C4'-P energy: -43.016 tors. eta vs tors. theta energy: -94.693 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: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -1203.317745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.317745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.317745 (E_RNA) where: Base-Base interactions energy: -766.796 where: short stacking energy: -380.295 Base-Backbone interact. energy: -0.044 local terms energy: -436.478242 where: bonds (distance) C4'-P energy: -88.147 bonds (distance) P-C4' energy: -102.479 flat angles C4'-P-C4' energy: -94.645 flat angles P-C4'-P energy: -63.311 tors. eta vs tors. theta energy: -87.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -1154.802023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.802023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.802023 (E_RNA) where: Base-Base interactions energy: -720.332 where: short stacking energy: -353.454 Base-Backbone interact. energy: -2.862 local terms energy: -431.608557 where: bonds (distance) C4'-P energy: -101.882 bonds (distance) P-C4' energy: -97.385 flat angles C4'-P-C4' energy: -90.484 flat angles P-C4'-P energy: -66.580 tors. eta vs tors. theta energy: -75.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -931.350371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.350371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.350371 (E_RNA) where: Base-Base interactions energy: -582.481 where: short stacking energy: -316.319 Base-Backbone interact. energy: 2.914 local terms energy: -351.783382 where: bonds (distance) C4'-P energy: -84.947 bonds (distance) P-C4' energy: -88.212 flat angles C4'-P-C4' energy: -74.826 flat angles P-C4'-P energy: -56.061 tors. eta vs tors. theta energy: -47.737 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: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -904.839032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.839032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.839032 (E_RNA) where: Base-Base interactions energy: -555.590 where: short stacking energy: -291.505 Base-Backbone interact. energy: -0.252 local terms energy: -348.996742 where: bonds (distance) C4'-P energy: -61.916 bonds (distance) P-C4' energy: -82.171 flat angles C4'-P-C4' energy: -93.453 flat angles P-C4'-P energy: -52.981 tors. eta vs tors. theta energy: -58.476 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: 14 Temperature: 1.250000 Total energy: -615.691200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.691200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.691200 (E_RNA) where: Base-Base interactions energy: -300.645 where: short stacking energy: -208.052 Base-Backbone interact. energy: 4.433 local terms energy: -319.479393 where: bonds (distance) C4'-P energy: -81.298 bonds (distance) P-C4' energy: -86.958 flat angles C4'-P-C4' energy: -81.800 flat angles P-C4'-P energy: -42.178 tors. eta vs tors. theta energy: -27.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -604.980787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.980787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.980787 (E_RNA) where: Base-Base interactions energy: -295.640 where: short stacking energy: -159.410 Base-Backbone interact. energy: 2.426 local terms energy: -311.767271 where: bonds (distance) C4'-P energy: -74.971 bonds (distance) P-C4' energy: -92.602 flat angles C4'-P-C4' energy: -79.088 flat angles P-C4'-P energy: -51.834 tors. eta vs tors. theta energy: -13.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -558.269156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.269156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.269156 (E_RNA) where: Base-Base interactions energy: -256.689 where: short stacking energy: -159.608 Base-Backbone interact. energy: -3.012 local terms energy: -298.567825 where: bonds (distance) C4'-P energy: -94.666 bonds (distance) P-C4' energy: -86.197 flat angles C4'-P-C4' energy: -76.483 flat angles P-C4'-P energy: -33.814 tors. eta vs tors. theta energy: -7.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -1328.989862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.989862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.989862 (E_RNA) where: Base-Base interactions energy: -840.531 where: short stacking energy: -421.514 Base-Backbone interact. energy: -1.066 local terms energy: -487.392433 where: bonds (distance) C4'-P energy: -96.808 bonds (distance) P-C4' energy: -103.267 flat angles C4'-P-C4' energy: -112.256 flat angles P-C4'-P energy: -67.387 tors. eta vs tors. theta energy: -107.675 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: 2 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -1173.438809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.438809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.438809 (E_RNA) where: Base-Base interactions energy: -736.414 where: short stacking energy: -382.409 Base-Backbone interact. energy: -3.692 local terms energy: -433.332842 where: bonds (distance) C4'-P energy: -103.705 bonds (distance) P-C4' energy: -92.620 flat angles C4'-P-C4' energy: -100.853 flat angles P-C4'-P energy: -60.754 tors. eta vs tors. theta energy: -75.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -1342.946709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.946709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.946709 (E_RNA) where: Base-Base interactions energy: -894.945 where: short stacking energy: -428.973 Base-Backbone interact. energy: -4.495 local terms energy: -443.506737 where: bonds (distance) C4'-P energy: -100.004 bonds (distance) P-C4' energy: -81.841 flat angles C4'-P-C4' energy: -92.562 flat angles P-C4'-P energy: -64.232 tors. eta vs tors. theta energy: -104.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -1241.078451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.078451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.078451 (E_RNA) where: Base-Base interactions energy: -796.387 where: short stacking energy: -369.684 Base-Backbone interact. energy: -0.062 local terms energy: -444.629389 where: bonds (distance) C4'-P energy: -103.163 bonds (distance) P-C4' energy: -98.987 flat angles C4'-P-C4' energy: -89.254 flat angles P-C4'-P energy: -61.877 tors. eta vs tors. theta energy: -91.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -1173.676290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.676290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.676290 (E_RNA) where: Base-Base interactions energy: -771.224 where: short stacking energy: -356.517 Base-Backbone interact. energy: -1.224 local terms energy: -401.229002 where: bonds (distance) C4'-P energy: -76.114 bonds (distance) P-C4' energy: -79.967 flat angles C4'-P-C4' energy: -96.445 flat angles P-C4'-P energy: -58.411 tors. eta vs tors. theta energy: -90.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -931.111680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.111680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.111680 (E_RNA) where: Base-Base interactions energy: -563.466 where: short stacking energy: -277.483 Base-Backbone interact. energy: -1.705 local terms energy: -365.940544 where: bonds (distance) C4'-P energy: -74.064 bonds (distance) P-C4' energy: -78.647 flat angles C4'-P-C4' energy: -92.898 flat angles P-C4'-P energy: -65.945 tors. eta vs tors. theta energy: -54.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -951.195341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.195341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.195341 (E_RNA) where: Base-Base interactions energy: -604.002 where: short stacking energy: -282.639 Base-Backbone interact. energy: 2.020 local terms energy: -349.213806 where: bonds (distance) C4'-P energy: -81.611 bonds (distance) P-C4' energy: -89.837 flat angles C4'-P-C4' energy: -67.734 flat angles P-C4'-P energy: -54.036 tors. eta vs tors. theta energy: -55.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -725.149606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.149606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.149606 (E_RNA) where: Base-Base interactions energy: -380.969 where: short stacking energy: -220.501 Base-Backbone interact. energy: -2.129 local terms energy: -342.051667 where: bonds (distance) C4'-P energy: -81.553 bonds (distance) P-C4' energy: -82.321 flat angles C4'-P-C4' energy: -91.188 flat angles P-C4'-P energy: -52.471 tors. eta vs tors. theta energy: -34.518 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: 6 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -574.008541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.008541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.008541 (E_RNA) where: Base-Base interactions energy: -293.514 where: short stacking energy: -196.302 Base-Backbone interact. energy: -0.480 local terms energy: -280.015013 where: bonds (distance) C4'-P energy: -87.054 bonds (distance) P-C4' energy: -76.524 flat angles C4'-P-C4' energy: -69.605 flat angles P-C4'-P energy: -40.438 tors. eta vs tors. theta energy: -6.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -487.832035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.832035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.832035 (E_RNA) where: Base-Base interactions energy: -254.684 where: short stacking energy: -162.636 Base-Backbone interact. energy: 5.754 local terms energy: -238.901439 where: bonds (distance) C4'-P energy: -72.473 bonds (distance) P-C4' energy: -86.129 flat angles C4'-P-C4' energy: -52.691 flat angles P-C4'-P energy: -38.408 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: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -1347.138310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.138310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.138310 (E_RNA) where: Base-Base interactions energy: -876.745 where: short stacking energy: -416.927 Base-Backbone interact. energy: -2.372 local terms energy: -468.020791 where: bonds (distance) C4'-P energy: -92.675 bonds (distance) P-C4' energy: -105.255 flat angles C4'-P-C4' energy: -104.427 flat angles P-C4'-P energy: -72.518 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: 2 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -1207.267798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.267798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.267798 (E_RNA) where: Base-Base interactions energy: -741.979 where: short stacking energy: -376.661 Base-Backbone interact. energy: -1.693 local terms energy: -463.595642 where: bonds (distance) C4'-P energy: -94.897 bonds (distance) P-C4' energy: -100.953 flat angles C4'-P-C4' energy: -110.939 flat angles P-C4'-P energy: -65.850 tors. eta vs tors. theta energy: -90.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -1346.520511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.520511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.520511 (E_RNA) where: Base-Base interactions energy: -885.257 where: short stacking energy: -414.862 Base-Backbone interact. energy: -4.129 local terms energy: -457.134282 where: bonds (distance) C4'-P energy: -78.472 bonds (distance) P-C4' energy: -95.927 flat angles C4'-P-C4' energy: -105.820 flat angles P-C4'-P energy: -79.101 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: 3 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -1340.921558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.921558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.921558 (E_RNA) where: Base-Base interactions energy: -879.824 where: short stacking energy: -420.315 Base-Backbone interact. energy: 0.308 local terms energy: -461.405302 where: bonds (distance) C4'-P energy: -88.601 bonds (distance) P-C4' energy: -112.156 flat angles C4'-P-C4' energy: -90.944 flat angles P-C4'-P energy: -63.927 tors. eta vs tors. theta energy: -105.778 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: 5, replica: 9 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -1198.554289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.554289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.554289 (E_RNA) where: Base-Base interactions energy: -803.575 where: short stacking energy: -376.261 Base-Backbone interact. energy: -1.553 local terms energy: -393.426172 where: bonds (distance) C4'-P energy: -81.434 bonds (distance) P-C4' energy: -80.506 flat angles C4'-P-C4' energy: -86.738 flat angles P-C4'-P energy: -64.181 tors. eta vs tors. theta energy: -80.568 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: 6, replica: 5 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -964.943952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.943952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.943952 (E_RNA) where: Base-Base interactions energy: -583.575 where: short stacking energy: -311.191 Base-Backbone interact. energy: -0.978 local terms energy: -380.390741 where: bonds (distance) C4'-P energy: -83.656 bonds (distance) P-C4' energy: -93.550 flat angles C4'-P-C4' energy: -84.385 flat angles P-C4'-P energy: -48.670 tors. eta vs tors. theta energy: -70.130 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: 7 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -1009.868771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.868771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.868771 (E_RNA) where: Base-Base interactions energy: -641.667 where: short stacking energy: -297.069 Base-Backbone interact. energy: 0.753 local terms energy: -368.954895 where: bonds (distance) C4'-P energy: -96.185 bonds (distance) P-C4' energy: -89.881 flat angles C4'-P-C4' energy: -87.446 flat angles P-C4'-P energy: -34.092 tors. eta vs tors. theta energy: -61.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -747.969149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.969149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.969149 (E_RNA) where: Base-Base interactions energy: -423.800 where: short stacking energy: -219.481 Base-Backbone interact. energy: -3.487 local terms energy: -320.682082 where: bonds (distance) C4'-P energy: -89.472 bonds (distance) P-C4' energy: -75.401 flat angles C4'-P-C4' energy: -68.268 flat angles P-C4'-P energy: -51.263 tors. eta vs tors. theta energy: -36.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -620.635101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.635101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.635101 (E_RNA) where: Base-Base interactions energy: -312.960 where: short stacking energy: -193.411 Base-Backbone interact. energy: 1.980 local terms energy: -309.655380 where: bonds (distance) C4'-P energy: -77.352 bonds (distance) P-C4' energy: -92.609 flat angles C4'-P-C4' energy: -72.806 flat angles P-C4'-P energy: -51.458 tors. eta vs tors. theta energy: -15.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -505.342565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.342565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.342565 (E_RNA) where: Base-Base interactions energy: -216.318 where: short stacking energy: -152.407 Base-Backbone interact. energy: 1.661 local terms energy: -290.685981 where: bonds (distance) C4'-P energy: -78.572 bonds (distance) P-C4' energy: -88.162 flat angles C4'-P-C4' energy: -68.965 flat angles P-C4'-P energy: -47.698 tors. eta vs tors. theta energy: -7.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -1365.748751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.748751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.748751 (E_RNA) where: Base-Base interactions energy: -903.480 where: short stacking energy: -425.353 Base-Backbone interact. energy: -3.656 local terms energy: -458.612262 where: bonds (distance) C4'-P energy: -104.220 bonds (distance) P-C4' energy: -97.742 flat angles C4'-P-C4' energy: -103.065 flat angles P-C4'-P energy: -65.978 tors. eta vs tors. theta energy: -87.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -1386.265146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.265146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.265146 (E_RNA) where: Base-Base interactions energy: -904.238 where: short stacking energy: -418.925 Base-Backbone interact. energy: -2.158 local terms energy: -479.869386 where: bonds (distance) C4'-P energy: -89.363 bonds (distance) P-C4' energy: -108.740 flat angles C4'-P-C4' energy: -102.169 flat angles P-C4'-P energy: -80.148 tors. eta vs tors. theta energy: -99.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -1202.707662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.707662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.707662 (E_RNA) where: Base-Base interactions energy: -746.306 where: short stacking energy: -371.459 Base-Backbone interact. energy: 0.316 local terms energy: -456.717276 where: bonds (distance) C4'-P energy: -95.943 bonds (distance) P-C4' energy: -100.134 flat angles C4'-P-C4' energy: -94.459 flat angles P-C4'-P energy: -63.174 tors. eta vs tors. theta energy: -103.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -1337.686468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.686468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.686468 (E_RNA) where: Base-Base interactions energy: -885.218 where: short stacking energy: -414.573 Base-Backbone interact. energy: -2.492 local terms energy: -449.976034 where: bonds (distance) C4'-P energy: -82.267 bonds (distance) P-C4' energy: -87.653 flat angles C4'-P-C4' energy: -98.030 flat angles P-C4'-P energy: -60.259 tors. eta vs tors. theta energy: -121.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -1218.512877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1218.512877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1218.512877 (E_RNA) where: Base-Base interactions energy: -795.178 where: short stacking energy: -362.260 Base-Backbone interact. energy: 0.577 local terms energy: -423.911968 where: bonds (distance) C4'-P energy: -77.471 bonds (distance) P-C4' energy: -91.082 flat angles C4'-P-C4' energy: -106.281 flat angles P-C4'-P energy: -68.294 tors. eta vs tors. theta energy: -80.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -1031.795495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.795495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.795495 (E_RNA) where: Base-Base interactions energy: -641.427 where: short stacking energy: -308.999 Base-Backbone interact. energy: 1.893 local terms energy: -392.262053 where: bonds (distance) C4'-P energy: -86.825 bonds (distance) P-C4' energy: -95.200 flat angles C4'-P-C4' energy: -92.264 flat angles P-C4'-P energy: -52.803 tors. eta vs tors. theta energy: -65.170 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: 7, replica: 5 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -949.880930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.880930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.880930 (E_RNA) where: Base-Base interactions energy: -573.221 where: short stacking energy: -304.869 Base-Backbone interact. energy: 1.643 local terms energy: -378.303067 where: bonds (distance) C4'-P energy: -74.911 bonds (distance) P-C4' energy: -98.047 flat angles C4'-P-C4' energy: -97.253 flat angles P-C4'-P energy: -58.455 tors. eta vs tors. theta energy: -49.637 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: 4 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -692.533515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.533515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.533515 (E_RNA) where: Base-Base interactions energy: -376.350 where: short stacking energy: -224.632 Base-Backbone interact. energy: 1.610 local terms energy: -317.793648 where: bonds (distance) C4'-P energy: -77.055 bonds (distance) P-C4' energy: -93.208 flat angles C4'-P-C4' energy: -81.486 flat angles P-C4'-P energy: -36.596 tors. eta vs tors. theta energy: -29.449 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: 6 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -592.503658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.503658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.503658 (E_RNA) where: Base-Base interactions energy: -335.013 where: short stacking energy: -192.773 Base-Backbone interact. energy: 0.887 local terms energy: -258.377992 where: bonds (distance) C4'-P energy: -91.495 bonds (distance) P-C4' energy: -70.915 flat angles C4'-P-C4' energy: -64.579 flat angles P-C4'-P energy: -23.357 tors. eta vs tors. theta energy: -8.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -447.688548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.688548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.688548 (E_RNA) where: Base-Base interactions energy: -215.130 where: short stacking energy: -145.214 Base-Backbone interact. energy: -0.709 local terms energy: -231.849169 where: bonds (distance) C4'-P energy: -86.876 bonds (distance) P-C4' energy: -72.717 flat angles C4'-P-C4' energy: -67.601 flat angles P-C4'-P energy: -20.658 tors. eta vs tors. theta energy: 16.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -1420.544304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.544304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.544304 (E_RNA) where: Base-Base interactions energy: -909.404 where: short stacking energy: -447.918 Base-Backbone interact. energy: -1.493 local terms energy: -509.647426 where: bonds (distance) C4'-P energy: -99.673 bonds (distance) P-C4' energy: -100.030 flat angles C4'-P-C4' energy: -108.080 flat angles P-C4'-P energy: -73.235 tors. eta vs tors. theta energy: -128.630 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: 1 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -1327.544925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.544925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.544925 (E_RNA) where: Base-Base interactions energy: -870.139 where: short stacking energy: -423.177 Base-Backbone interact. energy: -0.424 local terms energy: -456.981895 where: bonds (distance) C4'-P energy: -86.250 bonds (distance) P-C4' energy: -97.616 flat angles C4'-P-C4' energy: -108.513 flat angles P-C4'-P energy: -63.193 tors. eta vs tors. theta energy: -101.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -1396.473307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.473307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.473307 (E_RNA) where: Base-Base interactions energy: -912.283 where: short stacking energy: -417.861 Base-Backbone interact. energy: -3.267 local terms energy: -480.923572 where: bonds (distance) C4'-P energy: -90.802 bonds (distance) P-C4' energy: -102.320 flat angles C4'-P-C4' energy: -110.443 flat angles P-C4'-P energy: -70.099 tors. eta vs tors. theta energy: -107.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -1173.430427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.430427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.430427 (E_RNA) where: Base-Base interactions energy: -757.860 where: short stacking energy: -365.799 Base-Backbone interact. energy: -1.620 local terms energy: -413.950357 where: bonds (distance) C4'-P energy: -88.709 bonds (distance) P-C4' energy: -99.231 flat angles C4'-P-C4' energy: -89.066 flat angles P-C4'-P energy: -55.800 tors. eta vs tors. theta energy: -81.145 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: 9 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -1225.317415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.317415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.317415 (E_RNA) where: Base-Base interactions energy: -827.646 where: short stacking energy: -382.827 Base-Backbone interact. energy: 0.737 local terms energy: -398.409048 where: bonds (distance) C4'-P energy: -93.559 bonds (distance) P-C4' energy: -91.727 flat angles C4'-P-C4' energy: -81.134 flat angles P-C4'-P energy: -49.661 tors. eta vs tors. theta energy: -82.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -1052.345801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.345801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.345801 (E_RNA) where: Base-Base interactions energy: -674.957 where: short stacking energy: -315.278 Base-Backbone interact. energy: -2.208 local terms energy: -375.180518 where: bonds (distance) C4'-P energy: -69.561 bonds (distance) P-C4' energy: -77.615 flat angles C4'-P-C4' energy: -91.026 flat angles P-C4'-P energy: -64.477 tors. eta vs tors. theta energy: -72.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -890.849883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.849883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.849883 (E_RNA) where: Base-Base interactions energy: -563.164 where: short stacking energy: -257.421 Base-Backbone interact. energy: -1.382 local terms energy: -326.303551 where: bonds (distance) C4'-P energy: -86.317 bonds (distance) P-C4' energy: -76.547 flat angles C4'-P-C4' energy: -85.089 flat angles P-C4'-P energy: -39.587 tors. eta vs tors. theta energy: -38.763 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: 4 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -688.955520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.955520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.955520 (E_RNA) where: Base-Base interactions energy: -370.235 where: short stacking energy: -193.698 Base-Backbone interact. energy: -3.021 local terms energy: -315.699512 where: bonds (distance) C4'-P energy: -83.190 bonds (distance) P-C4' energy: -78.419 flat angles C4'-P-C4' energy: -79.806 flat angles P-C4'-P energy: -50.533 tors. eta vs tors. theta energy: -23.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -636.641784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.641784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.641784 (E_RNA) where: Base-Base interactions energy: -374.095 where: short stacking energy: -199.030 Base-Backbone interact. energy: 1.171 local terms energy: -263.718226 where: bonds (distance) C4'-P energy: -75.865 bonds (distance) P-C4' energy: -73.147 flat angles C4'-P-C4' energy: -75.111 flat angles P-C4'-P energy: -34.008 tors. eta vs tors. theta energy: -5.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -500.359281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.359281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.359281 (E_RNA) where: Base-Base interactions energy: -227.851 where: short stacking energy: -162.451 Base-Backbone interact. energy: 2.918 local terms energy: -275.425685 where: bonds (distance) C4'-P energy: -73.033 bonds (distance) P-C4' energy: -90.216 flat angles C4'-P-C4' energy: -71.295 flat angles P-C4'-P energy: -40.242 tors. eta vs tors. theta energy: -0.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1429.486998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.486998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.486998 (E_RNA) where: Base-Base interactions energy: -934.740 where: short stacking energy: -439.000 Base-Backbone interact. energy: -4.659 local terms energy: -490.087670 where: bonds (distance) C4'-P energy: -93.209 bonds (distance) P-C4' energy: -108.652 flat angles C4'-P-C4' energy: -106.204 flat angles P-C4'-P energy: -72.724 tors. eta vs tors. theta energy: -109.299 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: 3 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -1454.289671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.289671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.289671 (E_RNA) where: Base-Base interactions energy: -949.637 where: short stacking energy: -451.382 Base-Backbone interact. energy: -2.857 local terms energy: -501.795417 where: bonds (distance) C4'-P energy: -97.816 bonds (distance) P-C4' energy: -96.132 flat angles C4'-P-C4' energy: -113.430 flat angles P-C4'-P energy: -70.549 tors. eta vs tors. theta energy: -123.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -1289.540050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.540050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.540050 (E_RNA) where: Base-Base interactions energy: -846.298 where: short stacking energy: -426.085 Base-Backbone interact. energy: 7.361 local terms energy: -450.602811 where: bonds (distance) C4'-P energy: -85.711 bonds (distance) P-C4' energy: -97.468 flat angles C4'-P-C4' energy: -105.302 flat angles P-C4'-P energy: -58.304 tors. eta vs tors. theta energy: -103.818 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: 9 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -1307.823404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1307.823404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1307.823404 (E_RNA) where: Base-Base interactions energy: -879.981 where: short stacking energy: -398.500 Base-Backbone interact. energy: -1.384 local terms energy: -426.458246 where: bonds (distance) C4'-P energy: -82.320 bonds (distance) P-C4' energy: -87.227 flat angles C4'-P-C4' energy: -103.099 flat angles P-C4'-P energy: -62.821 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: 5, replica: 2 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -1115.435144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.435144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.435144 (E_RNA) where: Base-Base interactions energy: -705.755 where: short stacking energy: -347.011 Base-Backbone interact. energy: 1.339 local terms energy: -411.018478 where: bonds (distance) C4'-P energy: -99.041 bonds (distance) P-C4' energy: -76.107 flat angles C4'-P-C4' energy: -93.796 flat angles P-C4'-P energy: -57.213 tors. eta vs tors. theta energy: -84.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -1076.314032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.314032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.314032 (E_RNA) where: Base-Base interactions energy: -683.832 where: short stacking energy: -335.136 Base-Backbone interact. energy: -0.111 local terms energy: -392.371621 where: bonds (distance) C4'-P energy: -79.237 bonds (distance) P-C4' energy: -88.676 flat angles C4'-P-C4' energy: -85.933 flat angles P-C4'-P energy: -67.218 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: 7, replica: 5 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -868.573172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.573172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.573172 (E_RNA) where: Base-Base interactions energy: -529.851 where: short stacking energy: -275.486 Base-Backbone interact. energy: -0.364 local terms energy: -338.358466 where: bonds (distance) C4'-P energy: -70.756 bonds (distance) P-C4' energy: -78.298 flat angles C4'-P-C4' energy: -88.125 flat angles P-C4'-P energy: -49.183 tors. eta vs tors. theta energy: -51.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -682.592086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.592086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.592086 (E_RNA) where: Base-Base interactions energy: -381.446 where: short stacking energy: -186.740 Base-Backbone interact. energy: 8.028 local terms energy: -309.174150 where: bonds (distance) C4'-P energy: -81.847 bonds (distance) P-C4' energy: -95.772 flat angles C4'-P-C4' energy: -71.577 flat angles P-C4'-P energy: -46.832 tors. eta vs tors. theta energy: -13.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -666.897715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.897715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.897715 (E_RNA) where: Base-Base interactions energy: -355.058 where: short stacking energy: -208.754 Base-Backbone interact. energy: -1.783 local terms energy: -310.056266 where: bonds (distance) C4'-P energy: -73.490 bonds (distance) P-C4' energy: -80.648 flat angles C4'-P-C4' energy: -83.701 flat angles P-C4'-P energy: -55.997 tors. eta vs tors. theta energy: -16.220 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: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -476.712589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.712589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.712589 (E_RNA) where: Base-Base interactions energy: -184.412 where: short stacking energy: -134.519 Base-Backbone interact. energy: 2.976 local terms energy: -295.277214 where: bonds (distance) C4'-P energy: -84.959 bonds (distance) P-C4' energy: -98.014 flat angles C4'-P-C4' energy: -84.460 flat angles P-C4'-P energy: -35.568 tors. eta vs tors. theta energy: 7.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1516.616459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.616459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.616459 (E_RNA) where: Base-Base interactions energy: -1001.441 where: short stacking energy: -453.406 Base-Backbone interact. energy: -2.435 local terms energy: -512.740616 where: bonds (distance) C4'-P energy: -104.932 bonds (distance) P-C4' energy: -98.328 flat angles C4'-P-C4' energy: -114.263 flat angles P-C4'-P energy: -73.368 tors. eta vs tors. theta energy: -121.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -1430.099160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.099160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.099160 (E_RNA) where: Base-Base interactions energy: -952.647 where: short stacking energy: -440.460 Base-Backbone interact. energy: -0.248 local terms energy: -477.204150 where: bonds (distance) C4'-P energy: -100.470 bonds (distance) P-C4' energy: -94.056 flat angles C4'-P-C4' energy: -105.688 flat angles P-C4'-P energy: -68.150 tors. eta vs tors. theta energy: -108.840 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: 9 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -1304.675057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.675057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.675057 (E_RNA) where: Base-Base interactions energy: -865.196 where: short stacking energy: -406.099 Base-Backbone interact. energy: -0.390 local terms energy: -439.089340 where: bonds (distance) C4'-P energy: -97.857 bonds (distance) P-C4' energy: -90.147 flat angles C4'-P-C4' energy: -95.210 flat angles P-C4'-P energy: -58.438 tors. eta vs tors. theta energy: -97.437 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: 20 Temperature: 1.050000 Total energy: -1239.660461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.660461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.660461 (E_RNA) where: Base-Base interactions energy: -812.634 where: short stacking energy: -392.283 Base-Backbone interact. energy: -1.147 local terms energy: -425.879771 where: bonds (distance) C4'-P energy: -83.531 bonds (distance) P-C4' energy: -79.768 flat angles C4'-P-C4' energy: -97.277 flat angles P-C4'-P energy: -63.893 tors. eta vs tors. theta energy: -101.411 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: 2 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -1144.271389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.271389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.271389 (E_RNA) where: Base-Base interactions energy: -731.597 where: short stacking energy: -360.937 Base-Backbone interact. energy: 2.638 local terms energy: -415.312187 where: bonds (distance) C4'-P energy: -82.251 bonds (distance) P-C4' energy: -93.652 flat angles C4'-P-C4' energy: -85.802 flat angles P-C4'-P energy: -64.939 tors. eta vs tors. theta energy: -88.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -1055.809336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.809336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.809336 (E_RNA) where: Base-Base interactions energy: -684.014 where: short stacking energy: -314.683 Base-Backbone interact. energy: -0.199 local terms energy: -371.595987 where: bonds (distance) C4'-P energy: -85.156 bonds (distance) P-C4' energy: -74.056 flat angles C4'-P-C4' energy: -85.737 flat angles P-C4'-P energy: -64.957 tors. eta vs tors. theta energy: -61.690 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: 20 Temperature: 1.200000 Total energy: -818.189200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.189200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.189200 (E_RNA) where: Base-Base interactions energy: -502.084 where: short stacking energy: -249.058 Base-Backbone interact. energy: 2.300 local terms energy: -318.404876 where: bonds (distance) C4'-P energy: -81.852 bonds (distance) P-C4' energy: -65.134 flat angles C4'-P-C4' energy: -72.480 flat angles P-C4'-P energy: -51.784 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: 8, replica: 5 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -862.232186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.232186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.232186 (E_RNA) where: Base-Base interactions energy: -513.634 where: short stacking energy: -256.314 Base-Backbone interact. energy: -0.225 local terms energy: -348.373225 where: bonds (distance) C4'-P energy: -78.317 bonds (distance) P-C4' energy: -69.460 flat angles C4'-P-C4' energy: -90.537 flat angles P-C4'-P energy: -59.896 tors. eta vs tors. theta energy: -50.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -650.301786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.301786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.301786 (E_RNA) where: Base-Base interactions energy: -343.021 where: short stacking energy: -197.112 Base-Backbone interact. energy: 2.005 local terms energy: -309.285184 where: bonds (distance) C4'-P energy: -83.145 bonds (distance) P-C4' energy: -99.300 flat angles C4'-P-C4' energy: -79.271 flat angles P-C4'-P energy: -41.899 tors. eta vs tors. theta energy: -5.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -455.021914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.021914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.021914 (E_RNA) where: Base-Base interactions energy: -193.612 where: short stacking energy: -118.665 Base-Backbone interact. energy: -0.522 local terms energy: -260.887852 where: bonds (distance) C4'-P energy: -75.429 bonds (distance) P-C4' energy: -98.572 flat angles C4'-P-C4' energy: -62.187 flat angles P-C4'-P energy: -34.662 tors. eta vs tors. theta energy: 9.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1547.105504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.105504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.105504 (E_RNA) where: Base-Base interactions energy: -1063.125 where: short stacking energy: -455.976 Base-Backbone interact. energy: -2.971 local terms energy: -481.009629 where: bonds (distance) C4'-P energy: -85.237 bonds (distance) P-C4' energy: -103.548 flat angles C4'-P-C4' energy: -103.412 flat angles P-C4'-P energy: -66.365 tors. eta vs tors. theta energy: -122.447 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: 8 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -1455.362941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.362941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.362941 (E_RNA) where: Base-Base interactions energy: -957.713 where: short stacking energy: -483.327 Base-Backbone interact. energy: -1.967 local terms energy: -495.683321 where: bonds (distance) C4'-P energy: -88.311 bonds (distance) P-C4' energy: -95.117 flat angles C4'-P-C4' energy: -110.517 flat angles P-C4'-P energy: -69.461 tors. eta vs tors. theta energy: -132.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -1344.847561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.847561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.847561 (E_RNA) where: Base-Base interactions energy: -889.134 where: short stacking energy: -419.387 Base-Backbone interact. energy: 0.960 local terms energy: -456.673351 where: bonds (distance) C4'-P energy: -98.760 bonds (distance) P-C4' energy: -91.399 flat angles C4'-P-C4' energy: -105.115 flat angles P-C4'-P energy: -60.929 tors. eta vs tors. theta energy: -100.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -1291.295557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.295557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.295557 (E_RNA) where: Base-Base interactions energy: -850.190 where: short stacking energy: -388.342 Base-Backbone interact. energy: -3.926 local terms energy: -437.179972 where: bonds (distance) C4'-P energy: -91.917 bonds (distance) P-C4' energy: -88.877 flat angles C4'-P-C4' energy: -95.074 flat angles P-C4'-P energy: -60.521 tors. eta vs tors. theta energy: -100.791 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: 5, replica: 2 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -1095.799881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.799881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.799881 (E_RNA) where: Base-Base interactions energy: -714.808 where: short stacking energy: -347.964 Base-Backbone interact. energy: -1.368 local terms energy: -379.624012 where: bonds (distance) C4'-P energy: -84.691 bonds (distance) P-C4' energy: -85.024 flat angles C4'-P-C4' energy: -81.623 flat angles P-C4'-P energy: -55.917 tors. eta vs tors. theta energy: -72.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -1035.908622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.908622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.908622 (E_RNA) where: Base-Base interactions energy: -664.938 where: short stacking energy: -323.867 Base-Backbone interact. energy: 0.094 local terms energy: -371.065144 where: bonds (distance) C4'-P energy: -77.043 bonds (distance) P-C4' energy: -76.791 flat angles C4'-P-C4' energy: -94.965 flat angles P-C4'-P energy: -51.580 tors. eta vs tors. theta energy: -70.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -877.313298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.313298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.313298 (E_RNA) where: Base-Base interactions energy: -538.673 where: short stacking energy: -258.600 Base-Backbone interact. energy: -0.166 local terms energy: -338.474845 where: bonds (distance) C4'-P energy: -85.342 bonds (distance) P-C4' energy: -75.370 flat angles C4'-P-C4' energy: -82.980 flat angles P-C4'-P energy: -39.379 tors. eta vs tors. theta energy: -55.404 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: 5 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -760.654088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.654088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.654088 (E_RNA) where: Base-Base interactions energy: -424.743 where: short stacking energy: -262.577 Base-Backbone interact. energy: -2.461 local terms energy: -333.449860 where: bonds (distance) C4'-P energy: -84.270 bonds (distance) P-C4' energy: -78.359 flat angles C4'-P-C4' energy: -82.592 flat angles P-C4'-P energy: -44.022 tors. eta vs tors. theta energy: -44.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -666.142680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.142680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.142680 (E_RNA) where: Base-Base interactions energy: -387.757 where: short stacking energy: -196.711 Base-Backbone interact. energy: -1.778 local terms energy: -276.608308 where: bonds (distance) C4'-P energy: -70.983 bonds (distance) P-C4' energy: -79.827 flat angles C4'-P-C4' energy: -73.861 flat angles P-C4'-P energy: -42.116 tors. eta vs tors. theta energy: -9.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -437.848116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.848116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.848116 (E_RNA) where: Base-Base interactions energy: -178.998 where: short stacking energy: -126.048 Base-Backbone interact. energy: -2.152 local terms energy: -256.698644 where: bonds (distance) C4'-P energy: -90.361 bonds (distance) P-C4' energy: -91.700 flat angles C4'-P-C4' energy: -52.043 flat angles P-C4'-P energy: -40.699 tors. eta vs tors. theta energy: 18.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1577.622417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.622417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.622417 (E_RNA) where: Base-Base interactions energy: -1065.324 where: short stacking energy: -469.098 Base-Backbone interact. energy: -1.960 local terms energy: -510.338498 where: bonds (distance) C4'-P energy: -95.692 bonds (distance) P-C4' energy: -104.048 flat angles C4'-P-C4' energy: -111.449 flat angles P-C4'-P energy: -73.696 tors. eta vs tors. theta energy: -125.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -1435.056588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.056588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.056588 (E_RNA) where: Base-Base interactions energy: -942.244 where: short stacking energy: -470.586 Base-Backbone interact. energy: -3.048 local terms energy: -489.763681 where: bonds (distance) C4'-P energy: -96.022 bonds (distance) P-C4' energy: -92.165 flat angles C4'-P-C4' energy: -104.510 flat angles P-C4'-P energy: -74.097 tors. eta vs tors. theta energy: -122.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -1330.303642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.303642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.303642 (E_RNA) where: Base-Base interactions energy: -870.904 where: short stacking energy: -422.519 Base-Backbone interact. energy: -0.780 local terms energy: -458.619328 where: bonds (distance) C4'-P energy: -89.865 bonds (distance) P-C4' energy: -92.764 flat angles C4'-P-C4' energy: -97.632 flat angles P-C4'-P energy: -71.488 tors. eta vs tors. theta energy: -106.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -1202.733704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.733704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.733704 (E_RNA) where: Base-Base interactions energy: -791.133 where: short stacking energy: -384.960 Base-Backbone interact. energy: -1.865 local terms energy: -409.735449 where: bonds (distance) C4'-P energy: -99.687 bonds (distance) P-C4' energy: -78.120 flat angles C4'-P-C4' energy: -95.295 flat angles P-C4'-P energy: -52.935 tors. eta vs tors. theta energy: -83.699 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: 2 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -1181.294337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.294337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.294337 (E_RNA) where: Base-Base interactions energy: -745.013 where: short stacking energy: -381.436 Base-Backbone interact. energy: 0.858 local terms energy: -437.139553 where: bonds (distance) C4'-P energy: -85.961 bonds (distance) P-C4' energy: -90.123 flat angles C4'-P-C4' energy: -108.583 flat angles P-C4'-P energy: -69.272 tors. eta vs tors. theta energy: -83.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -1074.126782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.126782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.126782 (E_RNA) where: Base-Base interactions energy: -700.843 where: short stacking energy: -324.143 Base-Backbone interact. energy: -0.227 local terms energy: -373.056626 where: bonds (distance) C4'-P energy: -75.417 bonds (distance) P-C4' energy: -86.185 flat angles C4'-P-C4' energy: -90.267 flat angles P-C4'-P energy: -55.941 tors. eta vs tors. theta energy: -65.246 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: 4 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -908.035861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.035861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.035861 (E_RNA) where: Base-Base interactions energy: -537.819 where: short stacking energy: -277.266 Base-Backbone interact. energy: -1.183 local terms energy: -369.033340 where: bonds (distance) C4'-P energy: -85.963 bonds (distance) P-C4' energy: -89.783 flat angles C4'-P-C4' energy: -96.320 flat angles P-C4'-P energy: -54.978 tors. eta vs tors. theta energy: -41.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -757.808885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.808885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.808885 (E_RNA) where: Base-Base interactions energy: -410.758 where: short stacking energy: -224.597 Base-Backbone interact. energy: 3.192 local terms energy: -350.243001 where: bonds (distance) C4'-P energy: -96.214 bonds (distance) P-C4' energy: -75.661 flat angles C4'-P-C4' energy: -86.643 flat angles P-C4'-P energy: -63.149 tors. eta vs tors. theta energy: -28.577 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: 6 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -681.568608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.568608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.568608 (E_RNA) where: Base-Base interactions energy: -392.117 where: short stacking energy: -215.506 Base-Backbone interact. energy: 0.267 local terms energy: -289.718780 where: bonds (distance) C4'-P energy: -76.446 bonds (distance) P-C4' energy: -77.531 flat angles C4'-P-C4' energy: -70.991 flat angles P-C4'-P energy: -53.680 tors. eta vs tors. theta energy: -11.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -393.858867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.858867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.858867 (E_RNA) where: Base-Base interactions energy: -143.404 where: short stacking energy: -119.171 Base-Backbone interact. energy: 7.433 local terms energy: -257.888184 where: bonds (distance) C4'-P energy: -69.689 bonds (distance) P-C4' energy: -91.235 flat angles C4'-P-C4' energy: -73.697 flat angles P-C4'-P energy: -34.940 tors. eta vs tors. theta energy: 11.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1594.545769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.545769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.545769 (E_RNA) where: Base-Base interactions energy: -1089.680 where: short stacking energy: -495.586 Base-Backbone interact. energy: -0.950 local terms energy: -503.916452 where: bonds (distance) C4'-P energy: -101.728 bonds (distance) P-C4' energy: -94.406 flat angles C4'-P-C4' energy: -106.719 flat angles P-C4'-P energy: -69.260 tors. eta vs tors. theta energy: -131.803 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: 2, replica: 8 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -1459.864272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.864272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.864272 (E_RNA) where: Base-Base interactions energy: -959.320 where: short stacking energy: -470.267 Base-Backbone interact. energy: -3.079 local terms energy: -497.465476 where: bonds (distance) C4'-P energy: -89.958 bonds (distance) P-C4' energy: -95.600 flat angles C4'-P-C4' energy: -108.433 flat angles P-C4'-P energy: -66.734 tors. eta vs tors. theta energy: -136.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -1391.495653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.495653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.495653 (E_RNA) where: Base-Base interactions energy: -923.499 where: short stacking energy: -450.811 Base-Backbone interact. energy: -3.285 local terms energy: -464.712292 where: bonds (distance) C4'-P energy: -93.904 bonds (distance) P-C4' energy: -91.495 flat angles C4'-P-C4' energy: -100.889 flat angles P-C4'-P energy: -67.962 tors. eta vs tors. theta energy: -110.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -1222.972325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.972325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.972325 (E_RNA) where: Base-Base interactions energy: -772.646 where: short stacking energy: -398.737 Base-Backbone interact. energy: -0.683 local terms energy: -449.644253 where: bonds (distance) C4'-P energy: -74.035 bonds (distance) P-C4' energy: -101.444 flat angles C4'-P-C4' energy: -102.009 flat angles P-C4'-P energy: -75.391 tors. eta vs tors. theta energy: -96.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -1113.715775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.715775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.715775 (E_RNA) where: Base-Base interactions energy: -705.007 where: short stacking energy: -336.112 Base-Backbone interact. energy: -2.004 local terms energy: -406.704370 where: bonds (distance) C4'-P energy: -78.478 bonds (distance) P-C4' energy: -83.335 flat angles C4'-P-C4' energy: -104.366 flat angles P-C4'-P energy: -59.403 tors. eta vs tors. theta energy: -81.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -1128.720047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.720047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.720047 (E_RNA) where: Base-Base interactions energy: -745.727 where: short stacking energy: -347.380 Base-Backbone interact. energy: 0.376 local terms energy: -383.369036 where: bonds (distance) C4'-P energy: -82.653 bonds (distance) P-C4' energy: -79.818 flat angles C4'-P-C4' energy: -93.513 flat angles P-C4'-P energy: -63.607 tors. eta vs tors. theta energy: -63.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -867.365177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.365177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.365177 (E_RNA) where: Base-Base interactions energy: -572.301 where: short stacking energy: -230.250 Base-Backbone interact. energy: -1.561 local terms energy: -293.504053 where: bonds (distance) C4'-P energy: -64.702 bonds (distance) P-C4' energy: -84.167 flat angles C4'-P-C4' energy: -77.569 flat angles P-C4'-P energy: -45.066 tors. eta vs tors. theta energy: -22.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -757.340453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.340453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.340453 (E_RNA) where: Base-Base interactions energy: -448.248 where: short stacking energy: -231.993 Base-Backbone interact. energy: -1.376 local terms energy: -307.716211 where: bonds (distance) C4'-P energy: -79.906 bonds (distance) P-C4' energy: -86.976 flat angles C4'-P-C4' energy: -68.800 flat angles P-C4'-P energy: -48.598 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: 9, replica: 6 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -658.499825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.499825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.499825 (E_RNA) where: Base-Base interactions energy: -373.566 where: short stacking energy: -175.056 Base-Backbone interact. energy: 2.698 local terms energy: -287.631906 where: bonds (distance) C4'-P energy: -81.676 bonds (distance) P-C4' energy: -89.986 flat angles C4'-P-C4' energy: -71.526 flat angles P-C4'-P energy: -44.057 tors. eta vs tors. theta energy: -0.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -442.974478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.974478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.974478 (E_RNA) where: Base-Base interactions energy: -205.416 where: short stacking energy: -141.809 Base-Backbone interact. energy: -0.312 local terms energy: -237.246501 where: bonds (distance) C4'-P energy: -70.635 bonds (distance) P-C4' energy: -83.900 flat angles C4'-P-C4' energy: -64.932 flat angles P-C4'-P energy: -31.355 tors. eta vs tors. theta energy: 13.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1644.105239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.105239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.105239 (E_RNA) where: Base-Base interactions energy: -1133.677 where: short stacking energy: -477.857 Base-Backbone interact. energy: -1.887 local terms energy: -508.541810 where: bonds (distance) C4'-P energy: -102.466 bonds (distance) P-C4' energy: -98.817 flat angles C4'-P-C4' energy: -109.062 flat angles P-C4'-P energy: -67.525 tors. eta vs tors. theta energy: -130.672 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: 8 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -1453.925730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.925730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.925730 (E_RNA) where: Base-Base interactions energy: -961.888 where: short stacking energy: -460.425 Base-Backbone interact. energy: -1.989 local terms energy: -490.048149 where: bonds (distance) C4'-P energy: -92.213 bonds (distance) P-C4' energy: -103.144 flat angles C4'-P-C4' energy: -96.438 flat angles P-C4'-P energy: -74.604 tors. eta vs tors. theta energy: -123.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -1377.600528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.600528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.600528 (E_RNA) where: Base-Base interactions energy: -896.538 where: short stacking energy: -426.017 Base-Backbone interact. energy: -2.956 local terms energy: -478.106684 where: bonds (distance) C4'-P energy: -96.032 bonds (distance) P-C4' energy: -96.495 flat angles C4'-P-C4' energy: -108.569 flat angles P-C4'-P energy: -58.858 tors. eta vs tors. theta energy: -118.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -1240.551376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.551376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.551376 (E_RNA) where: Base-Base interactions energy: -815.304 where: short stacking energy: -398.547 Base-Backbone interact. energy: -2.750 local terms energy: -422.497738 where: bonds (distance) C4'-P energy: -86.780 bonds (distance) P-C4' energy: -95.966 flat angles C4'-P-C4' energy: -89.217 flat angles P-C4'-P energy: -64.913 tors. eta vs tors. theta energy: -85.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -1232.213179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.213179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.213179 (E_RNA) where: Base-Base interactions energy: -811.838 where: short stacking energy: -367.879 Base-Backbone interact. energy: -3.125 local terms energy: -417.249938 where: bonds (distance) C4'-P energy: -79.673 bonds (distance) P-C4' energy: -91.763 flat angles C4'-P-C4' energy: -98.039 flat angles P-C4'-P energy: -65.086 tors. eta vs tors. theta energy: -82.689 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: 2 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -1056.114598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.114598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.114598 (E_RNA) where: Base-Base interactions energy: -674.110 where: short stacking energy: -334.918 Base-Backbone interact. energy: -1.528 local terms energy: -380.476518 where: bonds (distance) C4'-P energy: -73.115 bonds (distance) P-C4' energy: -78.946 flat angles C4'-P-C4' energy: -87.100 flat angles P-C4'-P energy: -65.268 tors. eta vs tors. theta energy: -76.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -871.558808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.558808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.558808 (E_RNA) where: Base-Base interactions energy: -519.717 where: short stacking energy: -267.389 Base-Backbone interact. energy: 0.736 local terms energy: -352.577056 where: bonds (distance) C4'-P energy: -90.903 bonds (distance) P-C4' energy: -89.297 flat angles C4'-P-C4' energy: -73.847 flat angles P-C4'-P energy: -58.254 tors. eta vs tors. theta energy: -40.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -711.391031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.391031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.391031 (E_RNA) where: Base-Base interactions energy: -389.885 where: short stacking energy: -190.789 Base-Backbone interact. energy: -0.631 local terms energy: -320.874890 where: bonds (distance) C4'-P energy: -83.641 bonds (distance) P-C4' energy: -93.655 flat angles C4'-P-C4' energy: -80.711 flat angles P-C4'-P energy: -39.110 tors. eta vs tors. theta energy: -23.759 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: 9, replica: 6 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -656.774758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.774758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.774758 (E_RNA) where: Base-Base interactions energy: -344.416 where: short stacking energy: -195.430 Base-Backbone interact. energy: 3.766 local terms energy: -316.124046 where: bonds (distance) C4'-P energy: -98.515 bonds (distance) P-C4' energy: -89.078 flat angles C4'-P-C4' energy: -80.804 flat angles P-C4'-P energy: -34.466 tors. eta vs tors. theta energy: -13.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -476.663739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.663739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.663739 (E_RNA) where: Base-Base interactions energy: -207.827 where: short stacking energy: -130.087 Base-Backbone interact. energy: 1.850 local terms energy: -270.686516 where: bonds (distance) C4'-P energy: -80.350 bonds (distance) P-C4' energy: -73.069 flat angles C4'-P-C4' energy: -75.466 flat angles P-C4'-P energy: -41.103 tors. eta vs tors. theta energy: -0.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1637.023096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.023096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.023096 (E_RNA) where: Base-Base interactions energy: -1127.248 where: short stacking energy: -476.197 Base-Backbone interact. energy: 0.749 local terms energy: -510.524000 where: bonds (distance) C4'-P energy: -97.431 bonds (distance) P-C4' energy: -105.435 flat angles C4'-P-C4' energy: -109.565 flat angles P-C4'-P energy: -70.192 tors. eta vs tors. theta energy: -127.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -1438.530046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.530046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.530046 (E_RNA) where: Base-Base interactions energy: -948.263 where: short stacking energy: -451.698 Base-Backbone interact. energy: -0.767 local terms energy: -489.499896 where: bonds (distance) C4'-P energy: -92.731 bonds (distance) P-C4' energy: -94.989 flat angles C4'-P-C4' energy: -106.146 flat angles P-C4'-P energy: -79.795 tors. eta vs tors. theta energy: -115.839 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: 9 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -1359.892586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.892586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.892586 (E_RNA) where: Base-Base interactions energy: -906.878 where: short stacking energy: -428.501 Base-Backbone interact. energy: -0.974 local terms energy: -452.040481 where: bonds (distance) C4'-P energy: -91.795 bonds (distance) P-C4' energy: -91.005 flat angles C4'-P-C4' energy: -103.325 flat angles P-C4'-P energy: -58.062 tors. eta vs tors. theta energy: -107.854 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: 1 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -1223.720110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.720110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.720110 (E_RNA) where: Base-Base interactions energy: -794.598 where: short stacking energy: -396.209 Base-Backbone interact. energy: -0.109 local terms energy: -429.012913 where: bonds (distance) C4'-P energy: -83.731 bonds (distance) P-C4' energy: -101.330 flat angles C4'-P-C4' energy: -87.648 flat angles P-C4'-P energy: -71.380 tors. eta vs tors. theta energy: -84.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -1298.426438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.426438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.426438 (E_RNA) where: Base-Base interactions energy: -877.317 where: short stacking energy: -392.100 Base-Backbone interact. energy: -5.193 local terms energy: -415.915674 where: bonds (distance) C4'-P energy: -90.891 bonds (distance) P-C4' energy: -88.818 flat angles C4'-P-C4' energy: -84.682 flat angles P-C4'-P energy: -65.257 tors. eta vs tors. theta energy: -86.269 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: 25 Temperature: 1.150000 Total energy: -1116.025608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.025608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.025608 (E_RNA) where: Base-Base interactions energy: -696.201 where: short stacking energy: -327.799 Base-Backbone interact. energy: -0.170 local terms energy: -419.654626 where: bonds (distance) C4'-P energy: -84.698 bonds (distance) P-C4' energy: -94.911 flat angles C4'-P-C4' energy: -97.873 flat angles P-C4'-P energy: -70.157 tors. eta vs tors. theta energy: -72.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -878.620222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.620222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.620222 (E_RNA) where: Base-Base interactions energy: -500.336 where: short stacking energy: -282.129 Base-Backbone interact. energy: -2.591 local terms energy: -375.693791 where: bonds (distance) C4'-P energy: -95.228 bonds (distance) P-C4' energy: -91.153 flat angles C4'-P-C4' energy: -82.432 flat angles P-C4'-P energy: -53.170 tors. eta vs tors. theta energy: -53.711 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: 5 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -751.944057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.944057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.944057 (E_RNA) where: Base-Base interactions energy: -424.631 where: short stacking energy: -209.797 Base-Backbone interact. energy: -1.603 local terms energy: -325.710820 where: bonds (distance) C4'-P energy: -73.917 bonds (distance) P-C4' energy: -82.982 flat angles C4'-P-C4' energy: -88.953 flat angles P-C4'-P energy: -55.611 tors. eta vs tors. theta energy: -24.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -637.613040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.613040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.613040 (E_RNA) where: Base-Base interactions energy: -363.030 where: short stacking energy: -197.047 Base-Backbone interact. energy: 0.643 local terms energy: -275.226279 where: bonds (distance) C4'-P energy: -80.576 bonds (distance) P-C4' energy: -90.656 flat angles C4'-P-C4' energy: -56.862 flat angles P-C4'-P energy: -33.156 tors. eta vs tors. theta energy: -13.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -502.965518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.965518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.965518 (E_RNA) where: Base-Base interactions energy: -228.248 where: short stacking energy: -154.195 Base-Backbone interact. energy: 3.324 local terms energy: -278.041381 where: bonds (distance) C4'-P energy: -78.091 bonds (distance) P-C4' energy: -87.642 flat angles C4'-P-C4' energy: -78.534 flat angles P-C4'-P energy: -37.272 tors. eta vs tors. theta energy: 3.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1619.987272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.987272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.987272 (E_RNA) where: Base-Base interactions energy: -1128.071 where: short stacking energy: -487.120 Base-Backbone interact. energy: -0.037 local terms energy: -491.878955 where: bonds (distance) C4'-P energy: -91.266 bonds (distance) P-C4' energy: -99.019 flat angles C4'-P-C4' energy: -103.623 flat angles P-C4'-P energy: -64.808 tors. eta vs tors. theta energy: -133.162 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: 8 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -1448.541229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.541229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.541229 (E_RNA) where: Base-Base interactions energy: -954.861 where: short stacking energy: -462.475 Base-Backbone interact. energy: -1.723 local terms energy: -491.957206 where: bonds (distance) C4'-P energy: -97.642 bonds (distance) P-C4' energy: -96.563 flat angles C4'-P-C4' energy: -101.068 flat angles P-C4'-P energy: -67.308 tors. eta vs tors. theta energy: -129.376 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: 9 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -1373.397641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.397641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.397641 (E_RNA) where: Base-Base interactions energy: -916.235 where: short stacking energy: -421.467 Base-Backbone interact. energy: -1.846 local terms energy: -455.316055 where: bonds (distance) C4'-P energy: -90.998 bonds (distance) P-C4' energy: -95.533 flat angles C4'-P-C4' energy: -102.601 flat angles P-C4'-P energy: -58.975 tors. eta vs tors. theta energy: -107.209 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: 4, replica: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -1238.191420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.191420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.191420 (E_RNA) where: Base-Base interactions energy: -810.260 where: short stacking energy: -360.527 Base-Backbone interact. energy: 0.677 local terms energy: -428.608378 where: bonds (distance) C4'-P energy: -85.582 bonds (distance) P-C4' energy: -109.924 flat angles C4'-P-C4' energy: -97.012 flat angles P-C4'-P energy: -45.161 tors. eta vs tors. theta energy: -90.930 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: 7 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -1331.490217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.490217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.490217 (E_RNA) where: Base-Base interactions energy: -892.027 where: short stacking energy: -402.016 Base-Backbone interact. energy: 0.791 local terms energy: -440.254435 where: bonds (distance) C4'-P energy: -75.010 bonds (distance) P-C4' energy: -85.604 flat angles C4'-P-C4' energy: -108.333 flat angles P-C4'-P energy: -73.815 tors. eta vs tors. theta energy: -97.493 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: 2 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -1088.486951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.486951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.486951 (E_RNA) where: Base-Base interactions energy: -684.682 where: short stacking energy: -339.184 Base-Backbone interact. energy: 3.428 local terms energy: -407.232959 where: bonds (distance) C4'-P energy: -82.271 bonds (distance) P-C4' energy: -84.651 flat angles C4'-P-C4' energy: -95.814 flat angles P-C4'-P energy: -61.921 tors. eta vs tors. theta energy: -82.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -881.575785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.575785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.575785 (E_RNA) where: Base-Base interactions energy: -532.756 where: short stacking energy: -259.868 Base-Backbone interact. energy: -1.909 local terms energy: -346.911080 where: bonds (distance) C4'-P energy: -89.482 bonds (distance) P-C4' energy: -93.114 flat angles C4'-P-C4' energy: -71.805 flat angles P-C4'-P energy: -50.031 tors. eta vs tors. theta energy: -42.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -725.079892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.079892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.079892 (E_RNA) where: Base-Base interactions energy: -402.479 where: short stacking energy: -219.281 Base-Backbone interact. energy: -1.879 local terms energy: -320.722111 where: bonds (distance) C4'-P energy: -90.476 bonds (distance) P-C4' energy: -80.576 flat angles C4'-P-C4' energy: -75.537 flat angles P-C4'-P energy: -49.349 tors. eta vs tors. theta energy: -24.784 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: 9, replica: 6 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -655.851705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.851705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.851705 (E_RNA) where: Base-Base interactions energy: -368.375 where: short stacking energy: -194.188 Base-Backbone interact. energy: -2.507 local terms energy: -284.969780 where: bonds (distance) C4'-P energy: -69.941 bonds (distance) P-C4' energy: -90.907 flat angles C4'-P-C4' energy: -64.416 flat angles P-C4'-P energy: -36.432 tors. eta vs tors. theta energy: -23.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -551.390654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.390654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.390654 (E_RNA) where: Base-Base interactions energy: -276.908 where: short stacking energy: -153.966 Base-Backbone interact. energy: -0.792 local terms energy: -273.690027 where: bonds (distance) C4'-P energy: -82.508 bonds (distance) P-C4' energy: -70.691 flat angles C4'-P-C4' energy: -72.559 flat angles P-C4'-P energy: -35.038 tors. eta vs tors. theta energy: -12.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1617.861025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.861025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.861025 (E_RNA) where: Base-Base interactions energy: -1113.111 where: short stacking energy: -479.773 Base-Backbone interact. energy: -5.314 local terms energy: -499.435549 where: bonds (distance) C4'-P energy: -94.955 bonds (distance) P-C4' energy: -92.415 flat angles C4'-P-C4' energy: -106.629 flat angles P-C4'-P energy: -79.002 tors. eta vs tors. theta energy: -126.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -1457.372078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.372078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.372078 (E_RNA) where: Base-Base interactions energy: -971.983 where: short stacking energy: -474.725 Base-Backbone interact. energy: -1.074 local terms energy: -484.314380 where: bonds (distance) C4'-P energy: -91.772 bonds (distance) P-C4' energy: -91.876 flat angles C4'-P-C4' energy: -106.055 flat angles P-C4'-P energy: -74.005 tors. eta vs tors. theta energy: -120.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -1372.274187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.274187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.274187 (E_RNA) where: Base-Base interactions energy: -901.056 where: short stacking energy: -430.379 Base-Backbone interact. energy: -1.501 local terms energy: -469.716475 where: bonds (distance) C4'-P energy: -95.486 bonds (distance) P-C4' energy: -94.844 flat angles C4'-P-C4' energy: -106.937 flat angles P-C4'-P energy: -62.327 tors. eta vs tors. theta energy: -110.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -1388.480558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.480558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.480558 (E_RNA) where: Base-Base interactions energy: -922.987 where: short stacking energy: -411.841 Base-Backbone interact. energy: -2.178 local terms energy: -463.315509 where: bonds (distance) C4'-P energy: -87.913 bonds (distance) P-C4' energy: -99.621 flat angles C4'-P-C4' energy: -96.885 flat angles P-C4'-P energy: -76.917 tors. eta vs tors. theta energy: -101.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -1155.991258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.991258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.991258 (E_RNA) where: Base-Base interactions energy: -728.990 where: short stacking energy: -354.260 Base-Backbone interact. energy: -1.720 local terms energy: -425.281058 where: bonds (distance) C4'-P energy: -88.659 bonds (distance) P-C4' energy: -104.689 flat angles C4'-P-C4' energy: -102.040 flat angles P-C4'-P energy: -54.144 tors. eta vs tors. theta energy: -75.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -1106.202923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.202923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.202923 (E_RNA) where: Base-Base interactions energy: -716.703 where: short stacking energy: -345.731 Base-Backbone interact. energy: -3.580 local terms energy: -385.920481 where: bonds (distance) C4'-P energy: -88.115 bonds (distance) P-C4' energy: -75.581 flat angles C4'-P-C4' energy: -81.011 flat angles P-C4'-P energy: -60.440 tors. eta vs tors. theta energy: -80.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -928.456711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.456711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.456711 (E_RNA) where: Base-Base interactions energy: -554.716 where: short stacking energy: -302.716 Base-Backbone interact. energy: 0.355 local terms energy: -374.095683 where: bonds (distance) C4'-P energy: -70.938 bonds (distance) P-C4' energy: -93.668 flat angles C4'-P-C4' energy: -77.874 flat angles P-C4'-P energy: -61.957 tors. eta vs tors. theta energy: -69.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -736.948731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.948731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.948731 (E_RNA) where: Base-Base interactions energy: -441.681 where: short stacking energy: -232.805 Base-Backbone interact. energy: 0.013 local terms energy: -295.280224 where: bonds (distance) C4'-P energy: -70.939 bonds (distance) P-C4' energy: -76.129 flat angles C4'-P-C4' energy: -81.552 flat angles P-C4'-P energy: -50.056 tors. eta vs tors. theta energy: -16.605 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: 9, replica: 6 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -699.599100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.599100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.599100 (E_RNA) where: Base-Base interactions energy: -383.356 where: short stacking energy: -216.168 Base-Backbone interact. energy: 0.910 local terms energy: -317.153598 where: bonds (distance) C4'-P energy: -86.735 bonds (distance) P-C4' energy: -86.833 flat angles C4'-P-C4' energy: -72.465 flat angles P-C4'-P energy: -45.584 tors. eta vs tors. theta energy: -25.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -552.983735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.983735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.983735 (E_RNA) where: Base-Base interactions energy: -280.041 where: short stacking energy: -145.542 Base-Backbone interact. energy: 5.735 local terms energy: -278.677494 where: bonds (distance) C4'-P energy: -66.719 bonds (distance) P-C4' energy: -79.392 flat angles C4'-P-C4' energy: -92.402 flat angles P-C4'-P energy: -40.664 tors. eta vs tors. theta energy: 0.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1629.294400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.294400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.294400 (E_RNA) where: Base-Base interactions energy: -1095.213 where: short stacking energy: -478.287 Base-Backbone interact. energy: -3.833 local terms energy: -530.249144 where: bonds (distance) C4'-P energy: -97.429 bonds (distance) P-C4' energy: -101.292 flat angles C4'-P-C4' energy: -110.368 flat angles P-C4'-P energy: -80.771 tors. eta vs tors. theta energy: -140.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -1424.809454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.809454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.809454 (E_RNA) where: Base-Base interactions energy: -955.616 where: short stacking energy: -418.955 Base-Backbone interact. energy: -3.218 local terms energy: -465.975183 where: bonds (distance) C4'-P energy: -86.453 bonds (distance) P-C4' energy: -101.727 flat angles C4'-P-C4' energy: -100.356 flat angles P-C4'-P energy: -66.480 tors. eta vs tors. theta energy: -110.958 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: 7 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -1455.388578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.388578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.388578 (E_RNA) where: Base-Base interactions energy: -971.777 where: short stacking energy: -438.781 Base-Backbone interact. energy: -6.551 local terms energy: -477.060548 where: bonds (distance) C4'-P energy: -103.063 bonds (distance) P-C4' energy: -103.900 flat angles C4'-P-C4' energy: -103.550 flat angles P-C4'-P energy: -58.495 tors. eta vs tors. theta energy: -108.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -1342.346721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.346721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.346721 (E_RNA) where: Base-Base interactions energy: -893.003 where: short stacking energy: -397.739 Base-Backbone interact. energy: -0.080 local terms energy: -449.263732 where: bonds (distance) C4'-P energy: -88.161 bonds (distance) P-C4' energy: -95.303 flat angles C4'-P-C4' energy: -99.732 flat angles P-C4'-P energy: -61.352 tors. eta vs tors. theta energy: -104.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -1164.969884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.969884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.969884 (E_RNA) where: Base-Base interactions energy: -766.559 where: short stacking energy: -360.514 Base-Backbone interact. energy: -1.052 local terms energy: -397.358797 where: bonds (distance) C4'-P energy: -93.188 bonds (distance) P-C4' energy: -86.643 flat angles C4'-P-C4' energy: -102.993 flat angles P-C4'-P energy: -53.280 tors. eta vs tors. theta energy: -61.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -1015.902904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.902904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.902904 (E_RNA) where: Base-Base interactions energy: -641.650 where: short stacking energy: -325.863 Base-Backbone interact. energy: -2.917 local terms energy: -371.336567 where: bonds (distance) C4'-P energy: -65.594 bonds (distance) P-C4' energy: -74.379 flat angles C4'-P-C4' energy: -100.764 flat angles P-C4'-P energy: -53.409 tors. eta vs tors. theta energy: -77.190 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: 4 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -943.992959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.992959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.992959 (E_RNA) where: Base-Base interactions energy: -544.697 where: short stacking energy: -299.294 Base-Backbone interact. energy: -5.355 local terms energy: -393.940873 where: bonds (distance) C4'-P energy: -90.684 bonds (distance) P-C4' energy: -80.681 flat angles C4'-P-C4' energy: -97.441 flat angles P-C4'-P energy: -55.747 tors. eta vs tors. theta energy: -69.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -784.787255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.787255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.787255 (E_RNA) where: Base-Base interactions energy: -452.625 where: short stacking energy: -237.932 Base-Backbone interact. energy: 2.449 local terms energy: -334.610770 where: bonds (distance) C4'-P energy: -78.535 bonds (distance) P-C4' energy: -94.731 flat angles C4'-P-C4' energy: -73.043 flat angles P-C4'-P energy: -50.309 tors. eta vs tors. theta energy: -37.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -679.149967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.149967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.149967 (E_RNA) where: Base-Base interactions energy: -365.520 where: short stacking energy: -206.930 Base-Backbone interact. energy: -4.311 local terms energy: -309.319048 where: bonds (distance) C4'-P energy: -82.435 bonds (distance) P-C4' energy: -79.167 flat angles C4'-P-C4' energy: -81.410 flat angles P-C4'-P energy: -52.460 tors. eta vs tors. theta energy: -13.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -540.388048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.388048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.388048 (E_RNA) where: Base-Base interactions energy: -268.977 where: short stacking energy: -178.861 Base-Backbone interact. energy: -1.904 local terms energy: -269.507690 where: bonds (distance) C4'-P energy: -69.545 bonds (distance) P-C4' energy: -72.122 flat angles C4'-P-C4' energy: -85.495 flat angles P-C4'-P energy: -39.250 tors. eta vs tors. theta energy: -3.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1645.853921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.853921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.853921 (E_RNA) where: Base-Base interactions energy: -1130.173 where: short stacking energy: -512.701 Base-Backbone interact. energy: -0.131 local terms energy: -515.550356 where: bonds (distance) C4'-P energy: -98.520 bonds (distance) P-C4' energy: -100.623 flat angles C4'-P-C4' energy: -113.482 flat angles P-C4'-P energy: -62.216 tors. eta vs tors. theta energy: -140.710 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: 8 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -1496.372081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.372081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.372081 (E_RNA) where: Base-Base interactions energy: -1009.451 where: short stacking energy: -445.826 Base-Backbone interact. energy: -2.504 local terms energy: -484.417033 where: bonds (distance) C4'-P energy: -84.464 bonds (distance) P-C4' energy: -101.883 flat angles C4'-P-C4' energy: -110.170 flat angles P-C4'-P energy: -73.894 tors. eta vs tors. theta energy: -114.007 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: 7 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -1424.813410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.813410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.813410 (E_RNA) where: Base-Base interactions energy: -966.226 where: short stacking energy: -440.239 Base-Backbone interact. energy: -2.854 local terms energy: -455.733467 where: bonds (distance) C4'-P energy: -93.392 bonds (distance) P-C4' energy: -96.023 flat angles C4'-P-C4' energy: -95.032 flat angles P-C4'-P energy: -69.578 tors. eta vs tors. theta energy: -101.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -1358.760033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.760033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.760033 (E_RNA) where: Base-Base interactions energy: -892.264 where: short stacking energy: -400.461 Base-Backbone interact. energy: -1.325 local terms energy: -465.171113 where: bonds (distance) C4'-P energy: -93.696 bonds (distance) P-C4' energy: -95.738 flat angles C4'-P-C4' energy: -109.589 flat angles P-C4'-P energy: -67.602 tors. eta vs tors. theta energy: -98.546 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: 1 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -1119.987049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.987049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.987049 (E_RNA) where: Base-Base interactions energy: -713.044 where: short stacking energy: -350.753 Base-Backbone interact. energy: -1.865 local terms energy: -405.078102 where: bonds (distance) C4'-P energy: -87.565 bonds (distance) P-C4' energy: -91.282 flat angles C4'-P-C4' energy: -82.742 flat angles P-C4'-P energy: -58.275 tors. eta vs tors. theta energy: -85.214 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: 4 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -1053.989423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.989423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.989423 (E_RNA) where: Base-Base interactions energy: -653.425 where: short stacking energy: -330.493 Base-Backbone interact. energy: -1.049 local terms energy: -399.515454 where: bonds (distance) C4'-P energy: -74.903 bonds (distance) P-C4' energy: -98.197 flat angles C4'-P-C4' energy: -98.464 flat angles P-C4'-P energy: -60.022 tors. eta vs tors. theta energy: -67.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -927.641194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.641194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.641194 (E_RNA) where: Base-Base interactions energy: -581.169 where: short stacking energy: -293.143 Base-Backbone interact. energy: 1.298 local terms energy: -347.770060 where: bonds (distance) C4'-P energy: -69.352 bonds (distance) P-C4' energy: -84.943 flat angles C4'-P-C4' energy: -76.517 flat angles P-C4'-P energy: -56.169 tors. eta vs tors. theta energy: -60.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -751.243426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.243426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.243426 (E_RNA) where: Base-Base interactions energy: -424.560 where: short stacking energy: -237.288 Base-Backbone interact. energy: -0.123 local terms energy: -326.559960 where: bonds (distance) C4'-P energy: -77.904 bonds (distance) P-C4' energy: -86.471 flat angles C4'-P-C4' energy: -81.287 flat angles P-C4'-P energy: -43.121 tors. eta vs tors. theta energy: -37.777 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: 6 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -668.421574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.421574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.421574 (E_RNA) where: Base-Base interactions energy: -386.664 where: short stacking energy: -213.744 Base-Backbone interact. energy: 0.676 local terms energy: -282.433784 where: bonds (distance) C4'-P energy: -80.215 bonds (distance) P-C4' energy: -74.261 flat angles C4'-P-C4' energy: -67.455 flat angles P-C4'-P energy: -34.803 tors. eta vs tors. theta energy: -25.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -629.339873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.339873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.339873 (E_RNA) where: Base-Base interactions energy: -356.058 where: short stacking energy: -185.074 Base-Backbone interact. energy: -1.529 local terms energy: -271.753361 where: bonds (distance) C4'-P energy: -66.166 bonds (distance) P-C4' energy: -79.409 flat angles C4'-P-C4' energy: -63.637 flat angles P-C4'-P energy: -49.464 tors. eta vs tors. theta energy: -13.077 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: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1645.572113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.572113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.572113 (E_RNA) where: Base-Base interactions energy: -1123.154 where: short stacking energy: -508.661 Base-Backbone interact. energy: -1.453 local terms energy: -520.964500 where: bonds (distance) C4'-P energy: -101.307 bonds (distance) P-C4' energy: -91.175 flat angles C4'-P-C4' energy: -112.072 flat angles P-C4'-P energy: -76.602 tors. eta vs tors. theta energy: -139.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -1485.895954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.895954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.895954 (E_RNA) where: Base-Base interactions energy: -999.347 where: short stacking energy: -462.606 Base-Backbone interact. energy: -3.535 local terms energy: -483.014261 where: bonds (distance) C4'-P energy: -86.409 bonds (distance) P-C4' energy: -96.531 flat angles C4'-P-C4' energy: -109.332 flat angles P-C4'-P energy: -78.734 tors. eta vs tors. theta energy: -112.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -1424.171303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.171303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.171303 (E_RNA) where: Base-Base interactions energy: -966.535 where: short stacking energy: -441.678 Base-Backbone interact. energy: -1.682 local terms energy: -455.954076 where: bonds (distance) C4'-P energy: -83.677 bonds (distance) P-C4' energy: -96.020 flat angles C4'-P-C4' energy: -104.989 flat angles P-C4'-P energy: -64.530 tors. eta vs tors. theta energy: -106.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -1401.550080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.550080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.550080 (E_RNA) where: Base-Base interactions energy: -932.994 where: short stacking energy: -414.293 Base-Backbone interact. energy: -0.272 local terms energy: -468.283860 where: bonds (distance) C4'-P energy: -93.852 bonds (distance) P-C4' energy: -99.011 flat angles C4'-P-C4' energy: -97.313 flat angles P-C4'-P energy: -68.020 tors. eta vs tors. theta energy: -110.088 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: 5, replica: 1 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -1140.345254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.345254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.345254 (E_RNA) where: Base-Base interactions energy: -736.350 where: short stacking energy: -360.220 Base-Backbone interact. energy: -1.014 local terms energy: -402.981295 where: bonds (distance) C4'-P energy: -81.337 bonds (distance) P-C4' energy: -87.841 flat angles C4'-P-C4' energy: -92.413 flat angles P-C4'-P energy: -60.920 tors. eta vs tors. theta energy: -80.471 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: 4 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -1107.996388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.996388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.996388 (E_RNA) where: Base-Base interactions energy: -715.140 where: short stacking energy: -327.769 Base-Backbone interact. energy: -2.410 local terms energy: -390.446127 where: bonds (distance) C4'-P energy: -73.839 bonds (distance) P-C4' energy: -98.390 flat angles C4'-P-C4' energy: -97.046 flat angles P-C4'-P energy: -51.505 tors. eta vs tors. theta energy: -69.667 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: 7, replica: 2 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -953.516110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.516110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.516110 (E_RNA) where: Base-Base interactions energy: -579.182 where: short stacking energy: -278.274 Base-Backbone interact. energy: -0.795 local terms energy: -373.539092 where: bonds (distance) C4'-P energy: -70.383 bonds (distance) P-C4' energy: -101.077 flat angles C4'-P-C4' energy: -90.647 flat angles P-C4'-P energy: -56.871 tors. eta vs tors. theta energy: -54.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -750.297292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.297292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.297292 (E_RNA) where: Base-Base interactions energy: -400.665 where: short stacking energy: -230.183 Base-Backbone interact. energy: 3.363 local terms energy: -352.995029 where: bonds (distance) C4'-P energy: -84.661 bonds (distance) P-C4' energy: -91.357 flat angles C4'-P-C4' energy: -93.129 flat angles P-C4'-P energy: -50.526 tors. eta vs tors. theta energy: -33.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -665.204023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.204023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.204023 (E_RNA) where: Base-Base interactions energy: -377.623 where: short stacking energy: -191.456 Base-Backbone interact. energy: -2.013 local terms energy: -285.567279 where: bonds (distance) C4'-P energy: -68.522 bonds (distance) P-C4' energy: -94.066 flat angles C4'-P-C4' energy: -82.091 flat angles P-C4'-P energy: -31.375 tors. eta vs tors. theta energy: -9.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -647.072364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.072364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.072364 (E_RNA) where: Base-Base interactions energy: -369.129 where: short stacking energy: -206.126 Base-Backbone interact. energy: 0.069 local terms energy: -278.011653 where: bonds (distance) C4'-P energy: -61.842 bonds (distance) P-C4' energy: -73.645 flat angles C4'-P-C4' energy: -74.042 flat angles P-C4'-P energy: -38.392 tors. eta vs tors. theta energy: -30.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1607.792544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.792544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.792544 (E_RNA) where: Base-Base interactions energy: -1091.897 where: short stacking energy: -476.452 Base-Backbone interact. energy: 1.082 local terms energy: -516.977574 where: bonds (distance) C4'-P energy: -101.961 bonds (distance) P-C4' energy: -97.164 flat angles C4'-P-C4' energy: -112.413 flat angles P-C4'-P energy: -71.555 tors. eta vs tors. theta energy: -133.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -1466.589111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.589111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.589111 (E_RNA) where: Base-Base interactions energy: -1010.010 where: short stacking energy: -468.654 Base-Backbone interact. energy: -2.933 local terms energy: -453.645649 where: bonds (distance) C4'-P energy: -90.899 bonds (distance) P-C4' energy: -89.230 flat angles C4'-P-C4' energy: -91.748 flat angles P-C4'-P energy: -60.509 tors. eta vs tors. theta energy: -121.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -1439.090492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.090492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.090492 (E_RNA) where: Base-Base interactions energy: -960.219 where: short stacking energy: -434.732 Base-Backbone interact. energy: -4.414 local terms energy: -474.457058 where: bonds (distance) C4'-P energy: -93.036 bonds (distance) P-C4' energy: -99.593 flat angles C4'-P-C4' energy: -103.131 flat angles P-C4'-P energy: -66.045 tors. eta vs tors. theta energy: -112.652 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: 9 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -1390.603901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.603901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.603901 (E_RNA) where: Base-Base interactions energy: -922.665 where: short stacking energy: -426.588 Base-Backbone interact. energy: -1.400 local terms energy: -466.538475 where: bonds (distance) C4'-P energy: -90.024 bonds (distance) P-C4' energy: -90.805 flat angles C4'-P-C4' energy: -102.609 flat angles P-C4'-P energy: -69.645 tors. eta vs tors. theta energy: -113.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -1190.718348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.718348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.718348 (E_RNA) where: Base-Base interactions energy: -779.072 where: short stacking energy: -371.587 Base-Backbone interact. energy: 3.214 local terms energy: -414.860065 where: bonds (distance) C4'-P energy: -83.461 bonds (distance) P-C4' energy: -85.361 flat angles C4'-P-C4' energy: -106.636 flat angles P-C4'-P energy: -54.463 tors. eta vs tors. theta energy: -84.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -1066.181551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.181551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.181551 (E_RNA) where: Base-Base interactions energy: -664.784 where: short stacking energy: -328.533 Base-Backbone interact. energy: -0.099 local terms energy: -401.297745 where: bonds (distance) C4'-P energy: -80.270 bonds (distance) P-C4' energy: -88.536 flat angles C4'-P-C4' energy: -86.612 flat angles P-C4'-P energy: -67.871 tors. eta vs tors. theta energy: -78.008 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: 2 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -958.600398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.600398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.600398 (E_RNA) where: Base-Base interactions energy: -594.779 where: short stacking energy: -293.894 Base-Backbone interact. energy: 0.686 local terms energy: -364.507387 where: bonds (distance) C4'-P energy: -73.159 bonds (distance) P-C4' energy: -90.904 flat angles C4'-P-C4' energy: -95.964 flat angles P-C4'-P energy: -45.686 tors. eta vs tors. theta energy: -58.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -696.287550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.287550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.287550 (E_RNA) where: Base-Base interactions energy: -386.015 where: short stacking energy: -216.651 Base-Backbone interact. energy: -0.183 local terms energy: -310.089528 where: bonds (distance) C4'-P energy: -87.752 bonds (distance) P-C4' energy: -85.542 flat angles C4'-P-C4' energy: -75.052 flat angles P-C4'-P energy: -43.822 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: 9, replica: 5 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -630.960189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.960189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.960189 (E_RNA) where: Base-Base interactions energy: -333.988 where: short stacking energy: -195.524 Base-Backbone interact. energy: -0.030 local terms energy: -296.942049 where: bonds (distance) C4'-P energy: -58.220 bonds (distance) P-C4' energy: -101.365 flat angles C4'-P-C4' energy: -70.853 flat angles P-C4'-P energy: -49.773 tors. eta vs tors. theta energy: -16.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -540.800545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.800545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.800545 (E_RNA) where: Base-Base interactions energy: -293.833 where: short stacking energy: -162.701 Base-Backbone interact. energy: 2.274 local terms energy: -249.241194 where: bonds (distance) C4'-P energy: -68.905 bonds (distance) P-C4' energy: -78.139 flat angles C4'-P-C4' energy: -66.843 flat angles P-C4'-P energy: -30.438 tors. eta vs tors. theta energy: -4.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1622.628891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.628891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.628891 (E_RNA) where: Base-Base interactions energy: -1116.671 where: short stacking energy: -499.433 Base-Backbone interact. energy: -2.545 local terms energy: -503.413034 where: bonds (distance) C4'-P energy: -83.942 bonds (distance) P-C4' energy: -103.594 flat angles C4'-P-C4' energy: -115.528 flat angles P-C4'-P energy: -73.042 tors. eta vs tors. theta energy: -127.306 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: 2, replica: 8 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -1461.177669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.177669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.177669 (E_RNA) where: Base-Base interactions energy: -991.857 where: short stacking energy: -445.779 Base-Backbone interact. energy: 0.751 local terms energy: -470.072218 where: bonds (distance) C4'-P energy: -100.827 bonds (distance) P-C4' energy: -94.590 flat angles C4'-P-C4' energy: -99.050 flat angles P-C4'-P energy: -67.118 tors. eta vs tors. theta energy: -108.487 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: 3, replica: 7 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -1430.487861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.487861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.487861 (E_RNA) where: Base-Base interactions energy: -1000.184 where: short stacking energy: -447.157 Base-Backbone interact. energy: -1.269 local terms energy: -429.034526 where: bonds (distance) C4'-P energy: -80.666 bonds (distance) P-C4' energy: -87.190 flat angles C4'-P-C4' energy: -99.637 flat angles P-C4'-P energy: -49.872 tors. eta vs tors. theta energy: -111.669 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: 9 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -1466.928928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.928928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.928928 (E_RNA) where: Base-Base interactions energy: -1013.817 where: short stacking energy: -439.516 Base-Backbone interact. energy: -1.458 local terms energy: -451.653201 where: bonds (distance) C4'-P energy: -85.141 bonds (distance) P-C4' energy: -99.014 flat angles C4'-P-C4' energy: -89.660 flat angles P-C4'-P energy: -57.467 tors. eta vs tors. theta energy: -120.371 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: 5, replica: 1 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -1174.230973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.230973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.230973 (E_RNA) where: Base-Base interactions energy: -753.951 where: short stacking energy: -347.310 Base-Backbone interact. energy: -3.412 local terms energy: -416.868582 where: bonds (distance) C4'-P energy: -85.843 bonds (distance) P-C4' energy: -97.381 flat angles C4'-P-C4' energy: -98.351 flat angles P-C4'-P energy: -58.614 tors. eta vs tors. theta energy: -76.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -1094.141348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.141348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.141348 (E_RNA) where: Base-Base interactions energy: -697.208 where: short stacking energy: -325.533 Base-Backbone interact. energy: 5.049 local terms energy: -401.982843 where: bonds (distance) C4'-P energy: -90.590 bonds (distance) P-C4' energy: -88.279 flat angles C4'-P-C4' energy: -100.582 flat angles P-C4'-P energy: -57.560 tors. eta vs tors. theta energy: -64.972 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: 7, replica: 2 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -936.820936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.820936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.820936 (E_RNA) where: Base-Base interactions energy: -607.304 where: short stacking energy: -291.333 Base-Backbone interact. energy: 4.404 local terms energy: -333.921122 where: bonds (distance) C4'-P energy: -72.787 bonds (distance) P-C4' energy: -88.280 flat angles C4'-P-C4' energy: -90.863 flat angles P-C4'-P energy: -35.711 tors. eta vs tors. theta energy: -46.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -746.136725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.136725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.136725 (E_RNA) where: Base-Base interactions energy: -427.143 where: short stacking energy: -221.528 Base-Backbone interact. energy: 1.035 local terms energy: -320.028377 where: bonds (distance) C4'-P energy: -87.544 bonds (distance) P-C4' energy: -77.083 flat angles C4'-P-C4' energy: -72.583 flat angles P-C4'-P energy: -51.674 tors. eta vs tors. theta energy: -31.144 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: 9, replica: 5 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -606.685348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.685348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.685348 (E_RNA) where: Base-Base interactions energy: -288.897 where: short stacking energy: -166.890 Base-Backbone interact. energy: 0.835 local terms energy: -318.623659 where: bonds (distance) C4'-P energy: -83.109 bonds (distance) P-C4' energy: -97.665 flat angles C4'-P-C4' energy: -79.369 flat angles P-C4'-P energy: -48.430 tors. eta vs tors. theta energy: -10.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -526.163112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.163112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.163112 (E_RNA) where: Base-Base interactions energy: -283.496 where: short stacking energy: -171.761 Base-Backbone interact. energy: 2.126 local terms energy: -244.793043 where: bonds (distance) C4'-P energy: -75.916 bonds (distance) P-C4' energy: -83.267 flat angles C4'-P-C4' energy: -56.260 flat angles P-C4'-P energy: -25.501 tors. eta vs tors. theta energy: -3.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1628.694201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.694201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.694201 (E_RNA) where: Base-Base interactions energy: -1107.354 where: short stacking energy: -452.884 Base-Backbone interact. energy: -5.208 local terms energy: -516.133033 where: bonds (distance) C4'-P energy: -104.124 bonds (distance) P-C4' energy: -104.765 flat angles C4'-P-C4' energy: -110.075 flat angles P-C4'-P energy: -72.408 tors. eta vs tors. theta energy: -124.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -1485.873855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.873855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.873855 (E_RNA) where: Base-Base interactions energy: -1019.127 where: short stacking energy: -451.076 Base-Backbone interact. energy: -2.254 local terms energy: -464.492777 where: bonds (distance) C4'-P energy: -95.430 bonds (distance) P-C4' energy: -85.234 flat angles C4'-P-C4' energy: -98.634 flat angles P-C4'-P energy: -77.959 tors. eta vs tors. theta energy: -107.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -1403.145705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.145705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.145705 (E_RNA) where: Base-Base interactions energy: -955.417 where: short stacking energy: -423.004 Base-Backbone interact. energy: -3.157 local terms energy: -444.571045 where: bonds (distance) C4'-P energy: -80.177 bonds (distance) P-C4' energy: -97.801 flat angles C4'-P-C4' energy: -99.664 flat angles P-C4'-P energy: -62.589 tors. eta vs tors. theta energy: -104.340 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: 9 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -1490.561048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.561048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.561048 (E_RNA) where: Base-Base interactions energy: -1014.964 where: short stacking energy: -437.849 Base-Backbone interact. energy: -3.119 local terms energy: -472.478508 where: bonds (distance) C4'-P energy: -88.489 bonds (distance) P-C4' energy: -94.832 flat angles C4'-P-C4' energy: -101.906 flat angles P-C4'-P energy: -64.992 tors. eta vs tors. theta energy: -122.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -1226.822555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.822555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.822555 (E_RNA) where: Base-Base interactions energy: -808.554 where: short stacking energy: -364.680 Base-Backbone interact. energy: -2.041 local terms energy: -416.227410 where: bonds (distance) C4'-P energy: -96.256 bonds (distance) P-C4' energy: -92.561 flat angles C4'-P-C4' energy: -101.781 flat angles P-C4'-P energy: -41.644 tors. eta vs tors. theta energy: -83.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -1195.800395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.800395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.800395 (E_RNA) where: Base-Base interactions energy: -760.424 where: short stacking energy: -385.480 Base-Backbone interact. energy: -1.111 local terms energy: -434.264957 where: bonds (distance) C4'-P energy: -86.843 bonds (distance) P-C4' energy: -87.517 flat angles C4'-P-C4' energy: -100.472 flat angles P-C4'-P energy: -58.551 tors. eta vs tors. theta energy: -100.882 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: 7, replica: 2 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -891.977425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.977425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.977425 (E_RNA) where: Base-Base interactions energy: -559.414 where: short stacking energy: -274.818 Base-Backbone interact. energy: 2.348 local terms energy: -334.911440 where: bonds (distance) C4'-P energy: -77.821 bonds (distance) P-C4' energy: -94.760 flat angles C4'-P-C4' energy: -82.573 flat angles P-C4'-P energy: -41.695 tors. eta vs tors. theta energy: -38.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -761.669604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.669604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.669604 (E_RNA) where: Base-Base interactions energy: -446.460 where: short stacking energy: -221.997 Base-Backbone interact. energy: -1.078 local terms energy: -314.131540 where: bonds (distance) C4'-P energy: -76.545 bonds (distance) P-C4' energy: -101.178 flat angles C4'-P-C4' energy: -74.798 flat angles P-C4'-P energy: -43.372 tors. eta vs tors. theta energy: -18.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -553.340131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.340131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.340131 (E_RNA) where: Base-Base interactions energy: -267.877 where: short stacking energy: -171.051 Base-Backbone interact. energy: -3.420 local terms energy: -282.043050 where: bonds (distance) C4'-P energy: -78.526 bonds (distance) P-C4' energy: -93.001 flat angles C4'-P-C4' energy: -72.685 flat angles P-C4'-P energy: -45.243 tors. eta vs tors. theta energy: 7.412 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: 10 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -574.207498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.207498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.207498 (E_RNA) where: Base-Base interactions energy: -302.733 where: short stacking energy: -157.508 Base-Backbone interact. energy: 0.142 local terms energy: -271.616475 where: bonds (distance) C4'-P energy: -63.627 bonds (distance) P-C4' energy: -85.138 flat angles C4'-P-C4' energy: -77.970 flat angles P-C4'-P energy: -45.273 tors. eta vs tors. theta energy: 0.391 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: 34 Temperature: 0.900000 Total energy: -1599.499768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.499768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.499768 (E_RNA) where: Base-Base interactions energy: -1098.065 where: short stacking energy: -467.104 Base-Backbone interact. energy: -1.176 local terms energy: -500.259257 where: bonds (distance) C4'-P energy: -97.361 bonds (distance) P-C4' energy: -94.870 flat angles C4'-P-C4' energy: -109.526 flat angles P-C4'-P energy: -74.200 tors. eta vs tors. theta energy: -124.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -1492.129508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.129508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.129508 (E_RNA) where: Base-Base interactions energy: -1025.706 where: short stacking energy: -425.825 Base-Backbone interact. energy: -3.740 local terms energy: -462.684323 where: bonds (distance) C4'-P energy: -91.299 bonds (distance) P-C4' energy: -100.042 flat angles C4'-P-C4' energy: -101.386 flat angles P-C4'-P energy: -59.002 tors. eta vs tors. theta energy: -110.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -1539.178689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.178689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.178689 (E_RNA) where: Base-Base interactions energy: -1076.235 where: short stacking energy: -472.879 Base-Backbone interact. energy: 1.119 local terms energy: -464.062277 where: bonds (distance) C4'-P energy: -83.228 bonds (distance) P-C4' energy: -89.261 flat angles C4'-P-C4' energy: -96.664 flat angles P-C4'-P energy: -70.537 tors. eta vs tors. theta energy: -124.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -1386.717259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.717259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.717259 (E_RNA) where: Base-Base interactions energy: -920.271 where: short stacking energy: -432.597 Base-Backbone interact. energy: -1.849 local terms energy: -464.597631 where: bonds (distance) C4'-P energy: -95.493 bonds (distance) P-C4' energy: -101.062 flat angles C4'-P-C4' energy: -91.080 flat angles P-C4'-P energy: -67.484 tors. eta vs tors. theta energy: -109.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -1226.392039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.392039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.392039 (E_RNA) where: Base-Base interactions energy: -808.038 where: short stacking energy: -380.290 Base-Backbone interact. energy: -1.671 local terms energy: -416.683097 where: bonds (distance) C4'-P energy: -84.844 bonds (distance) P-C4' energy: -90.736 flat angles C4'-P-C4' energy: -87.345 flat angles P-C4'-P energy: -63.926 tors. eta vs tors. theta energy: -89.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -1174.247687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.247687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.247687 (E_RNA) where: Base-Base interactions energy: -804.802 where: short stacking energy: -372.118 Base-Backbone interact. energy: 1.285 local terms energy: -370.731191 where: bonds (distance) C4'-P energy: -80.589 bonds (distance) P-C4' energy: -79.460 flat angles C4'-P-C4' energy: -80.170 flat angles P-C4'-P energy: -51.312 tors. eta vs tors. theta energy: -79.200 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: 2 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -939.835227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.835227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.835227 (E_RNA) where: Base-Base interactions energy: -593.424 where: short stacking energy: -311.732 Base-Backbone interact. energy: 2.057 local terms energy: -348.468413 where: bonds (distance) C4'-P energy: -77.531 bonds (distance) P-C4' energy: -86.641 flat angles C4'-P-C4' energy: -92.056 flat angles P-C4'-P energy: -37.747 tors. eta vs tors. theta energy: -54.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -757.054969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.054969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.054969 (E_RNA) where: Base-Base interactions energy: -446.829 where: short stacking energy: -235.608 Base-Backbone interact. energy: -0.345 local terms energy: -309.880108 where: bonds (distance) C4'-P energy: -87.359 bonds (distance) P-C4' energy: -77.230 flat angles C4'-P-C4' energy: -79.343 flat angles P-C4'-P energy: -35.644 tors. eta vs tors. theta energy: -30.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -651.008613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.008613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.008613 (E_RNA) where: Base-Base interactions energy: -385.129 where: short stacking energy: -219.085 Base-Backbone interact. energy: -2.306 local terms energy: -263.574118 where: bonds (distance) C4'-P energy: -77.045 bonds (distance) P-C4' energy: -75.715 flat angles C4'-P-C4' energy: -66.187 flat angles P-C4'-P energy: -33.642 tors. eta vs tors. theta energy: -10.985 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: 10, replica: 5 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -599.911811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.911811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.911811 (E_RNA) where: Base-Base interactions energy: -355.102 where: short stacking energy: -195.743 Base-Backbone interact. energy: 0.730 local terms energy: -245.539823 where: bonds (distance) C4'-P energy: -69.432 bonds (distance) P-C4' energy: -60.811 flat angles C4'-P-C4' energy: -60.125 flat angles P-C4'-P energy: -39.254 tors. eta vs tors. theta energy: -15.917 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: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1601.363455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.363455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.363455 (E_RNA) where: Base-Base interactions energy: -1086.531 where: short stacking energy: -487.725 Base-Backbone interact. energy: 2.080 local terms energy: -516.912916 where: bonds (distance) C4'-P energy: -100.223 bonds (distance) P-C4' energy: -102.132 flat angles C4'-P-C4' energy: -107.018 flat angles P-C4'-P energy: -80.212 tors. eta vs tors. theta energy: -127.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -1576.716327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.716327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.716327 (E_RNA) where: Base-Base interactions energy: -1087.533 where: short stacking energy: -464.829 Base-Backbone interact. energy: -1.892 local terms energy: -487.290989 where: bonds (distance) C4'-P energy: -93.455 bonds (distance) P-C4' energy: -88.418 flat angles C4'-P-C4' energy: -117.375 flat angles P-C4'-P energy: -63.984 tors. eta vs tors. theta energy: -124.059 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: 3, replica: 7 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -1484.473455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.473455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.473455 (E_RNA) where: Base-Base interactions energy: -1012.395 where: short stacking energy: -443.447 Base-Backbone interact. energy: -2.167 local terms energy: -469.910959 where: bonds (distance) C4'-P energy: -81.680 bonds (distance) P-C4' energy: -101.719 flat angles C4'-P-C4' energy: -103.281 flat angles P-C4'-P energy: -76.868 tors. eta vs tors. theta energy: -106.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -1360.650939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.650939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.650939 (E_RNA) where: Base-Base interactions energy: -933.348 where: short stacking energy: -415.139 Base-Backbone interact. energy: -3.169 local terms energy: -424.133675 where: bonds (distance) C4'-P energy: -74.590 bonds (distance) P-C4' energy: -89.924 flat angles C4'-P-C4' energy: -93.867 flat angles P-C4'-P energy: -68.417 tors. eta vs tors. theta energy: -97.335 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: 4 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -1295.434947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.434947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.434947 (E_RNA) where: Base-Base interactions energy: -869.498 where: short stacking energy: -401.557 Base-Backbone interact. energy: -6.280 local terms energy: -419.656695 where: bonds (distance) C4'-P energy: -76.996 bonds (distance) P-C4' energy: -90.199 flat angles C4'-P-C4' energy: -103.685 flat angles P-C4'-P energy: -55.241 tors. eta vs tors. theta energy: -93.536 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: 35 Temperature: 1.150000 Total energy: -1196.104910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.104910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.104910 (E_RNA) where: Base-Base interactions energy: -780.257 where: short stacking energy: -342.142 Base-Backbone interact. energy: -0.352 local terms energy: -415.496481 where: bonds (distance) C4'-P energy: -86.219 bonds (distance) P-C4' energy: -86.912 flat angles C4'-P-C4' energy: -84.287 flat angles P-C4'-P energy: -62.138 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: 7, replica: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -974.462013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.462013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.462013 (E_RNA) where: Base-Base interactions energy: -603.851 where: short stacking energy: -300.854 Base-Backbone interact. energy: -1.498 local terms energy: -369.113750 where: bonds (distance) C4'-P energy: -86.085 bonds (distance) P-C4' energy: -97.497 flat angles C4'-P-C4' energy: -85.608 flat angles P-C4'-P energy: -35.914 tors. eta vs tors. theta energy: -64.010 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: 35 Temperature: 1.250000 Total energy: -860.491385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.491385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.491385 (E_RNA) where: Base-Base interactions energy: -513.324 where: short stacking energy: -239.207 Base-Backbone interact. energy: -3.323 local terms energy: -343.844287 where: bonds (distance) C4'-P energy: -84.240 bonds (distance) P-C4' energy: -87.227 flat angles C4'-P-C4' energy: -103.507 flat angles P-C4'-P energy: -42.617 tors. eta vs tors. theta energy: -26.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -689.303642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.303642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.303642 (E_RNA) where: Base-Base interactions energy: -381.861 where: short stacking energy: -198.075 Base-Backbone interact. energy: 5.745 local terms energy: -313.187021 where: bonds (distance) C4'-P energy: -91.004 bonds (distance) P-C4' energy: -99.571 flat angles C4'-P-C4' energy: -72.884 flat angles P-C4'-P energy: -47.512 tors. eta vs tors. theta energy: -2.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -640.671939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.671939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.671939 (E_RNA) where: Base-Base interactions energy: -340.995 where: short stacking energy: -187.663 Base-Backbone interact. energy: 1.602 local terms energy: -301.279565 where: bonds (distance) C4'-P energy: -79.029 bonds (distance) P-C4' energy: -85.110 flat angles C4'-P-C4' energy: -84.344 flat angles P-C4'-P energy: -35.197 tors. eta vs tors. theta energy: -17.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1629.411201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.411201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.411201 (E_RNA) where: Base-Base interactions energy: -1110.091 where: short stacking energy: -501.285 Base-Backbone interact. energy: -2.577 local terms energy: -516.743060 where: bonds (distance) C4'-P energy: -106.259 bonds (distance) P-C4' energy: -92.656 flat angles C4'-P-C4' energy: -106.755 flat angles P-C4'-P energy: -74.493 tors. eta vs tors. theta energy: -136.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -1564.007176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.007176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.007176 (E_RNA) where: Base-Base interactions energy: -1063.596 where: short stacking energy: -477.361 Base-Backbone interact. energy: 3.651 local terms energy: -504.062002 where: bonds (distance) C4'-P energy: -99.944 bonds (distance) P-C4' energy: -94.901 flat angles C4'-P-C4' energy: -111.252 flat angles P-C4'-P energy: -64.103 tors. eta vs tors. theta energy: -133.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -1497.809615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.809615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.809615 (E_RNA) where: Base-Base interactions energy: -1015.450 where: short stacking energy: -437.161 Base-Backbone interact. energy: -3.459 local terms energy: -478.900072 where: bonds (distance) C4'-P energy: -77.713 bonds (distance) P-C4' energy: -100.139 flat angles C4'-P-C4' energy: -106.422 flat angles P-C4'-P energy: -74.038 tors. eta vs tors. theta energy: -120.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -1391.386700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.386700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.386700 (E_RNA) where: Base-Base interactions energy: -940.182 where: short stacking energy: -418.812 Base-Backbone interact. energy: -1.847 local terms energy: -449.358066 where: bonds (distance) C4'-P energy: -73.526 bonds (distance) P-C4' energy: -97.879 flat angles C4'-P-C4' energy: -116.218 flat angles P-C4'-P energy: -57.683 tors. eta vs tors. theta energy: -104.052 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: 36 Temperature: 1.100000 Total energy: -1262.495944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.495944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.495944 (E_RNA) where: Base-Base interactions energy: -848.541 where: short stacking energy: -418.927 Base-Backbone interact. energy: -0.489 local terms energy: -413.466563 where: bonds (distance) C4'-P energy: -78.900 bonds (distance) P-C4' energy: -90.515 flat angles C4'-P-C4' energy: -95.290 flat angles P-C4'-P energy: -47.511 tors. eta vs tors. theta energy: -101.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -1160.510089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.510089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.510089 (E_RNA) where: Base-Base interactions energy: -752.950 where: short stacking energy: -337.923 Base-Backbone interact. energy: 0.362 local terms energy: -407.921959 where: bonds (distance) C4'-P energy: -78.268 bonds (distance) P-C4' energy: -85.737 flat angles C4'-P-C4' energy: -100.455 flat angles P-C4'-P energy: -66.867 tors. eta vs tors. theta energy: -76.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -1038.568473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.568473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.568473 (E_RNA) where: Base-Base interactions energy: -654.476 where: short stacking energy: -313.994 Base-Backbone interact. energy: -0.200 local terms energy: -383.892075 where: bonds (distance) C4'-P energy: -78.280 bonds (distance) P-C4' energy: -83.428 flat angles C4'-P-C4' energy: -103.035 flat angles P-C4'-P energy: -50.980 tors. eta vs tors. theta energy: -68.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -823.928057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.928057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.928057 (E_RNA) where: Base-Base interactions energy: -495.518 where: short stacking energy: -231.800 Base-Backbone interact. energy: -3.778 local terms energy: -324.631407 where: bonds (distance) C4'-P energy: -78.283 bonds (distance) P-C4' energy: -86.919 flat angles C4'-P-C4' energy: -82.238 flat angles P-C4'-P energy: -45.655 tors. eta vs tors. theta energy: -31.537 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: 5 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -652.685389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.685389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.685389 (E_RNA) where: Base-Base interactions energy: -359.516 where: short stacking energy: -197.515 Base-Backbone interact. energy: 3.145 local terms energy: -296.313953 where: bonds (distance) C4'-P energy: -87.125 bonds (distance) P-C4' energy: -90.002 flat angles C4'-P-C4' energy: -80.170 flat angles P-C4'-P energy: -36.165 tors. eta vs tors. theta energy: -2.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -624.184146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.184146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.184146 (E_RNA) where: Base-Base interactions energy: -345.853 where: short stacking energy: -159.822 Base-Backbone interact. energy: -0.079 local terms energy: -278.252713 where: bonds (distance) C4'-P energy: -78.201 bonds (distance) P-C4' energy: -70.445 flat angles C4'-P-C4' energy: -69.414 flat angles P-C4'-P energy: -51.461 tors. eta vs tors. theta energy: -8.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1622.793256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.793256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.793256 (E_RNA) where: Base-Base interactions energy: -1121.436 where: short stacking energy: -512.372 Base-Backbone interact. energy: -1.123 local terms energy: -500.233914 where: bonds (distance) C4'-P energy: -89.771 bonds (distance) P-C4' energy: -91.538 flat angles C4'-P-C4' energy: -109.643 flat angles P-C4'-P energy: -78.902 tors. eta vs tors. theta energy: -130.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -1553.438672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.438672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.438672 (E_RNA) where: Base-Base interactions energy: -1062.422 where: short stacking energy: -459.475 Base-Backbone interact. energy: -0.662 local terms energy: -490.355187 where: bonds (distance) C4'-P energy: -95.220 bonds (distance) P-C4' energy: -101.110 flat angles C4'-P-C4' energy: -107.837 flat angles P-C4'-P energy: -62.013 tors. eta vs tors. theta energy: -124.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -1504.198335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.198335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.198335 (E_RNA) where: Base-Base interactions energy: -1040.846 where: short stacking energy: -458.649 Base-Backbone interact. energy: -0.176 local terms energy: -463.175928 where: bonds (distance) C4'-P energy: -99.530 bonds (distance) P-C4' energy: -72.279 flat angles C4'-P-C4' energy: -107.019 flat angles P-C4'-P energy: -69.739 tors. eta vs tors. theta energy: -114.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -1446.208524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1446.208524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1446.208524 (E_RNA) where: Base-Base interactions energy: -971.284 where: short stacking energy: -449.002 Base-Backbone interact. energy: -3.068 local terms energy: -471.856635 where: bonds (distance) C4'-P energy: -88.688 bonds (distance) P-C4' energy: -93.247 flat angles C4'-P-C4' energy: -108.235 flat angles P-C4'-P energy: -66.763 tors. eta vs tors. theta energy: -114.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -1258.548986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.548986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.548986 (E_RNA) where: Base-Base interactions energy: -834.778 where: short stacking energy: -392.389 Base-Backbone interact. energy: -1.573 local terms energy: -422.197837 where: bonds (distance) C4'-P energy: -78.831 bonds (distance) P-C4' energy: -84.796 flat angles C4'-P-C4' energy: -101.058 flat angles P-C4'-P energy: -57.300 tors. eta vs tors. theta energy: -100.214 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: 37 Temperature: 1.150000 Total energy: -1144.747216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.747216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.747216 (E_RNA) where: Base-Base interactions energy: -781.809 where: short stacking energy: -359.478 Base-Backbone interact. energy: -0.063 local terms energy: -362.874920 where: bonds (distance) C4'-P energy: -61.936 bonds (distance) P-C4' energy: -87.782 flat angles C4'-P-C4' energy: -83.884 flat angles P-C4'-P energy: -60.249 tors. eta vs tors. theta energy: -69.025 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: 2 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -1011.297353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.297353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.297353 (E_RNA) where: Base-Base interactions energy: -624.398 where: short stacking energy: -293.274 Base-Backbone interact. energy: 1.748 local terms energy: -388.647530 where: bonds (distance) C4'-P energy: -83.304 bonds (distance) P-C4' energy: -95.811 flat angles C4'-P-C4' energy: -77.208 flat angles P-C4'-P energy: -64.553 tors. eta vs tors. theta energy: -67.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -856.863617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.863617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.863617 (E_RNA) where: Base-Base interactions energy: -543.738 where: short stacking energy: -264.662 Base-Backbone interact. energy: 0.039 local terms energy: -313.165337 where: bonds (distance) C4'-P energy: -75.200 bonds (distance) P-C4' energy: -62.190 flat angles C4'-P-C4' energy: -80.986 flat angles P-C4'-P energy: -48.782 tors. eta vs tors. theta energy: -46.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -707.430129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.430129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.430129 (E_RNA) where: Base-Base interactions energy: -413.259 where: short stacking energy: -204.267 Base-Backbone interact. energy: -2.249 local terms energy: -291.922159 where: bonds (distance) C4'-P energy: -72.211 bonds (distance) P-C4' energy: -83.826 flat angles C4'-P-C4' energy: -75.670 flat angles P-C4'-P energy: -33.609 tors. eta vs tors. theta energy: -26.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -655.143287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.143287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.143287 (E_RNA) where: Base-Base interactions energy: -378.281 where: short stacking energy: -175.550 Base-Backbone interact. energy: 1.010 local terms energy: -277.871960 where: bonds (distance) C4'-P energy: -67.472 bonds (distance) P-C4' energy: -81.530 flat angles C4'-P-C4' energy: -74.583 flat angles P-C4'-P energy: -42.522 tors. eta vs tors. theta energy: -11.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1628.177201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.177201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.177201 (E_RNA) where: Base-Base interactions energy: -1113.988 where: short stacking energy: -508.184 Base-Backbone interact. energy: -0.827 local terms energy: -513.362500 where: bonds (distance) C4'-P energy: -83.303 bonds (distance) P-C4' energy: -102.970 flat angles C4'-P-C4' energy: -108.214 flat angles P-C4'-P energy: -79.075 tors. eta vs tors. theta energy: -139.801 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: 3 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -1549.127017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.127017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.127017 (E_RNA) where: Base-Base interactions energy: -1069.538 where: short stacking energy: -459.866 Base-Backbone interact. energy: -1.733 local terms energy: -477.856231 where: bonds (distance) C4'-P energy: -84.354 bonds (distance) P-C4' energy: -96.446 flat angles C4'-P-C4' energy: -105.130 flat angles P-C4'-P energy: -66.441 tors. eta vs tors. theta energy: -125.485 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: 7 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -1539.073689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.073689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.073689 (E_RNA) where: Base-Base interactions energy: -1055.702 where: short stacking energy: -458.041 Base-Backbone interact. energy: -2.821 local terms energy: -480.550717 where: bonds (distance) C4'-P energy: -99.365 bonds (distance) P-C4' energy: -105.228 flat angles C4'-P-C4' energy: -101.957 flat angles P-C4'-P energy: -61.887 tors. eta vs tors. theta energy: -112.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -1437.495472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.495472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.495472 (E_RNA) where: Base-Base interactions energy: -975.759 where: short stacking energy: -413.579 Base-Backbone interact. energy: -0.771 local terms energy: -460.965234 where: bonds (distance) C4'-P energy: -88.122 bonds (distance) P-C4' energy: -94.374 flat angles C4'-P-C4' energy: -97.861 flat angles P-C4'-P energy: -72.424 tors. eta vs tors. theta energy: -108.184 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: 4 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -1295.597860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.597860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.597860 (E_RNA) where: Base-Base interactions energy: -879.649 where: short stacking energy: -402.959 Base-Backbone interact. energy: -1.577 local terms energy: -414.372291 where: bonds (distance) C4'-P energy: -73.861 bonds (distance) P-C4' energy: -88.890 flat angles C4'-P-C4' energy: -91.915 flat angles P-C4'-P energy: -62.590 tors. eta vs tors. theta energy: -97.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -1185.479203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.479203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.479203 (E_RNA) where: Base-Base interactions energy: -775.262 where: short stacking energy: -359.233 Base-Backbone interact. energy: -3.029 local terms energy: -407.188070 where: bonds (distance) C4'-P energy: -85.672 bonds (distance) P-C4' energy: -87.395 flat angles C4'-P-C4' energy: -87.158 flat angles P-C4'-P energy: -56.453 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: 7, replica: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -1016.640831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.640831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.640831 (E_RNA) where: Base-Base interactions energy: -649.225 where: short stacking energy: -286.685 Base-Backbone interact. energy: 0.441 local terms energy: -367.857102 where: bonds (distance) C4'-P energy: -84.819 bonds (distance) P-C4' energy: -81.713 flat angles C4'-P-C4' energy: -89.644 flat angles P-C4'-P energy: -52.731 tors. eta vs tors. theta energy: -58.950 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: 6 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -840.731449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.731449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.731449 (E_RNA) where: Base-Base interactions energy: -501.087 where: short stacking energy: -231.456 Base-Backbone interact. energy: -0.873 local terms energy: -338.771139 where: bonds (distance) C4'-P energy: -87.693 bonds (distance) P-C4' energy: -79.766 flat angles C4'-P-C4' energy: -80.501 flat angles P-C4'-P energy: -54.752 tors. eta vs tors. theta energy: -36.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -758.750022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.750022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.750022 (E_RNA) where: Base-Base interactions energy: -457.882 where: short stacking energy: -215.174 Base-Backbone interact. energy: 0.744 local terms energy: -301.612243 where: bonds (distance) C4'-P energy: -78.301 bonds (distance) P-C4' energy: -77.232 flat angles C4'-P-C4' energy: -67.012 flat angles P-C4'-P energy: -41.307 tors. eta vs tors. theta energy: -37.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -677.468914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.468914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.468914 (E_RNA) where: Base-Base interactions energy: -384.152 where: short stacking energy: -190.789 Base-Backbone interact. energy: 0.393 local terms energy: -293.708949 where: bonds (distance) C4'-P energy: -74.288 bonds (distance) P-C4' energy: -84.759 flat angles C4'-P-C4' energy: -80.349 flat angles P-C4'-P energy: -44.910 tors. eta vs tors. theta energy: -9.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1631.452152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.452152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.452152 (E_RNA) where: Base-Base interactions energy: -1120.580 where: short stacking energy: -479.607 Base-Backbone interact. energy: 0.989 local terms energy: -511.861421 where: bonds (distance) C4'-P energy: -96.002 bonds (distance) P-C4' energy: -95.214 flat angles C4'-P-C4' energy: -104.734 flat angles P-C4'-P energy: -80.836 tors. eta vs tors. theta energy: -135.076 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: 39 Temperature: 0.950000 Total energy: -1549.567233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.567233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.567233 (E_RNA) where: Base-Base interactions energy: -1077.223 where: short stacking energy: -470.076 Base-Backbone interact. energy: -1.304 local terms energy: -471.040293 where: bonds (distance) C4'-P energy: -92.943 bonds (distance) P-C4' energy: -87.082 flat angles C4'-P-C4' energy: -106.237 flat angles P-C4'-P energy: -65.559 tors. eta vs tors. theta energy: -119.219 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: 3, replica: 7 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -1479.896479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1479.896479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1479.896479 (E_RNA) where: Base-Base interactions energy: -1011.413 where: short stacking energy: -445.424 Base-Backbone interact. energy: -1.700 local terms energy: -466.783708 where: bonds (distance) C4'-P energy: -68.033 bonds (distance) P-C4' energy: -110.959 flat angles C4'-P-C4' energy: -107.122 flat angles P-C4'-P energy: -66.898 tors. eta vs tors. theta energy: -113.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -1438.343425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.343425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.343425 (E_RNA) where: Base-Base interactions energy: -998.223 where: short stacking energy: -416.318 Base-Backbone interact. energy: -2.877 local terms energy: -437.243412 where: bonds (distance) C4'-P energy: -84.052 bonds (distance) P-C4' energy: -93.764 flat angles C4'-P-C4' energy: -94.055 flat angles P-C4'-P energy: -62.862 tors. eta vs tors. theta energy: -102.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -1321.369918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.369918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.369918 (E_RNA) where: Base-Base interactions energy: -906.492 where: short stacking energy: -404.014 Base-Backbone interact. energy: 4.323 local terms energy: -419.200977 where: bonds (distance) C4'-P energy: -74.044 bonds (distance) P-C4' energy: -97.045 flat angles C4'-P-C4' energy: -95.520 flat angles P-C4'-P energy: -63.805 tors. eta vs tors. theta energy: -88.786 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: 1 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -1171.443765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.443765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.443765 (E_RNA) where: Base-Base interactions energy: -777.254 where: short stacking energy: -336.392 Base-Backbone interact. energy: 0.675 local terms energy: -394.864869 where: bonds (distance) C4'-P energy: -90.517 bonds (distance) P-C4' energy: -94.869 flat angles C4'-P-C4' energy: -92.562 flat angles P-C4'-P energy: -60.768 tors. eta vs tors. theta energy: -56.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -1046.220104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.220104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.220104 (E_RNA) where: Base-Base interactions energy: -671.800 where: short stacking energy: -304.855 Base-Backbone interact. energy: -0.860 local terms energy: -373.559732 where: bonds (distance) C4'-P energy: -81.848 bonds (distance) P-C4' energy: -81.321 flat angles C4'-P-C4' energy: -87.150 flat angles P-C4'-P energy: -49.174 tors. eta vs tors. theta energy: -74.067 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: 5 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -799.890896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.890896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.890896 (E_RNA) where: Base-Base interactions energy: -473.962 where: short stacking energy: -228.937 Base-Backbone interact. energy: -2.504 local terms energy: -323.425123 where: bonds (distance) C4'-P energy: -68.977 bonds (distance) P-C4' energy: -86.718 flat angles C4'-P-C4' energy: -82.630 flat angles P-C4'-P energy: -52.662 tors. eta vs tors. theta energy: -32.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -783.391453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.391453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.391453 (E_RNA) where: Base-Base interactions energy: -477.588 where: short stacking energy: -211.090 Base-Backbone interact. energy: 1.473 local terms energy: -307.276227 where: bonds (distance) C4'-P energy: -72.063 bonds (distance) P-C4' energy: -87.201 flat angles C4'-P-C4' energy: -92.594 flat angles P-C4'-P energy: -31.895 tors. eta vs tors. theta energy: -23.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -628.294289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.294289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.294289 (E_RNA) where: Base-Base interactions energy: -385.457 where: short stacking energy: -209.697 Base-Backbone interact. energy: 10.104 local terms energy: -252.941576 where: bonds (distance) C4'-P energy: -87.776 bonds (distance) P-C4' energy: -73.174 flat angles C4'-P-C4' energy: -57.592 flat angles P-C4'-P energy: -18.632 tors. eta vs tors. theta energy: -15.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1625.302630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.302630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.302630 (E_RNA) where: Base-Base interactions energy: -1106.368 where: short stacking energy: -494.214 Base-Backbone interact. energy: -1.912 local terms energy: -517.022990 where: bonds (distance) C4'-P energy: -90.123 bonds (distance) P-C4' energy: -99.239 flat angles C4'-P-C4' energy: -112.340 flat angles P-C4'-P energy: -78.795 tors. eta vs tors. theta energy: -136.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -1526.605959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.605959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.605959 (E_RNA) where: Base-Base interactions energy: -1027.683 where: short stacking energy: -453.634 Base-Backbone interact. energy: -1.607 local terms energy: -497.315322 where: bonds (distance) C4'-P energy: -94.655 bonds (distance) P-C4' energy: -100.940 flat angles C4'-P-C4' energy: -102.804 flat angles P-C4'-P energy: -70.133 tors. eta vs tors. theta energy: -128.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -1509.017396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.017396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.017396 (E_RNA) where: Base-Base interactions energy: -1041.761 where: short stacking energy: -452.050 Base-Backbone interact. energy: -1.843 local terms energy: -465.412795 where: bonds (distance) C4'-P energy: -93.296 bonds (distance) P-C4' energy: -83.744 flat angles C4'-P-C4' energy: -104.026 flat angles P-C4'-P energy: -71.409 tors. eta vs tors. theta energy: -112.938 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: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -1432.289305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.289305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.289305 (E_RNA) where: Base-Base interactions energy: -965.490 where: short stacking energy: -420.360 Base-Backbone interact. energy: -3.817 local terms energy: -462.982395 where: bonds (distance) C4'-P energy: -80.619 bonds (distance) P-C4' energy: -99.095 flat angles C4'-P-C4' energy: -102.938 flat angles P-C4'-P energy: -73.077 tors. eta vs tors. theta energy: -107.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -1390.377732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.377732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.377732 (E_RNA) where: Base-Base interactions energy: -941.236 where: short stacking energy: -426.007 Base-Backbone interact. energy: -1.719 local terms energy: -447.423071 where: bonds (distance) C4'-P energy: -92.236 bonds (distance) P-C4' energy: -82.278 flat angles C4'-P-C4' energy: -95.462 flat angles P-C4'-P energy: -62.683 tors. eta vs tors. theta energy: -114.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -1228.336312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.336312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.336312 (E_RNA) where: Base-Base interactions energy: -832.389 where: short stacking energy: -333.947 Base-Backbone interact. energy: 0.394 local terms energy: -396.341283 where: bonds (distance) C4'-P energy: -89.458 bonds (distance) P-C4' energy: -83.154 flat angles C4'-P-C4' energy: -97.952 flat angles P-C4'-P energy: -57.553 tors. eta vs tors. theta energy: -68.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -999.990959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.990959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.990959 (E_RNA) where: Base-Base interactions energy: -629.066 where: short stacking energy: -302.741 Base-Backbone interact. energy: -2.166 local terms energy: -368.759675 where: bonds (distance) C4'-P energy: -80.527 bonds (distance) P-C4' energy: -80.289 flat angles C4'-P-C4' energy: -82.619 flat angles P-C4'-P energy: -53.083 tors. eta vs tors. theta energy: -72.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -870.224257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.224257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.224257 (E_RNA) where: Base-Base interactions energy: -547.293 where: short stacking energy: -266.320 Base-Backbone interact. energy: -0.910 local terms energy: -322.021166 where: bonds (distance) C4'-P energy: -68.443 bonds (distance) P-C4' energy: -95.426 flat angles C4'-P-C4' energy: -76.815 flat angles P-C4'-P energy: -40.786 tors. eta vs tors. theta energy: -40.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -727.146772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.146772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.146772 (E_RNA) where: Base-Base interactions energy: -412.564 where: short stacking energy: -210.611 Base-Backbone interact. energy: -1.092 local terms energy: -313.491694 where: bonds (distance) C4'-P energy: -88.942 bonds (distance) P-C4' energy: -87.129 flat angles C4'-P-C4' energy: -57.825 flat angles P-C4'-P energy: -58.377 tors. eta vs tors. theta energy: -21.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -638.634766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.634766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.634766 (E_RNA) where: Base-Base interactions energy: -346.457 where: short stacking energy: -185.946 Base-Backbone interact. energy: -0.007 local terms energy: -292.170473 where: bonds (distance) C4'-P energy: -77.505 bonds (distance) P-C4' energy: -82.793 flat angles C4'-P-C4' energy: -78.852 flat angles P-C4'-P energy: -44.640 tors. eta vs tors. theta energy: -8.380 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: 1, replica: 9 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1641.574855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.574855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.574855 (E_RNA) where: Base-Base interactions energy: -1128.520 where: short stacking energy: -495.898 Base-Backbone interact. energy: -1.187 local terms energy: -511.868054 where: bonds (distance) C4'-P energy: -96.241 bonds (distance) P-C4' energy: -92.750 flat angles C4'-P-C4' energy: -110.961 flat angles P-C4'-P energy: -77.337 tors. eta vs tors. theta energy: -134.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1573.863869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.863869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.863869 (E_RNA) where: Base-Base interactions energy: -1076.357 where: short stacking energy: -482.073 Base-Backbone interact. energy: -1.206 local terms energy: -496.300233 where: bonds (distance) C4'-P energy: -100.848 bonds (distance) P-C4' energy: -94.859 flat angles C4'-P-C4' energy: -112.048 flat angles P-C4'-P energy: -67.246 tors. eta vs tors. theta energy: -121.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -1491.086199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.086199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.086199 (E_RNA) where: Base-Base interactions energy: -1000.185 where: short stacking energy: -463.718 Base-Backbone interact. energy: -0.819 local terms energy: -490.082658 where: bonds (distance) C4'-P energy: -94.396 bonds (distance) P-C4' energy: -95.872 flat angles C4'-P-C4' energy: -109.384 flat angles P-C4'-P energy: -67.428 tors. eta vs tors. theta energy: -123.002 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: 8 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -1429.126437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.126437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.126437 (E_RNA) where: Base-Base interactions energy: -986.271 where: short stacking energy: -429.928 Base-Backbone interact. energy: -3.082 local terms energy: -439.773419 where: bonds (distance) C4'-P energy: -81.919 bonds (distance) P-C4' energy: -89.673 flat angles C4'-P-C4' energy: -91.528 flat angles P-C4'-P energy: -62.304 tors. eta vs tors. theta energy: -114.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -1413.297241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.297241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.297241 (E_RNA) where: Base-Base interactions energy: -968.941 where: short stacking energy: -432.686 Base-Backbone interact. energy: -2.410 local terms energy: -441.946227 where: bonds (distance) C4'-P energy: -77.395 bonds (distance) P-C4' energy: -91.129 flat angles C4'-P-C4' energy: -93.290 flat angles P-C4'-P energy: -62.675 tors. eta vs tors. theta energy: -117.456 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: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -1169.263200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.263200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.263200 (E_RNA) where: Base-Base interactions energy: -774.602 where: short stacking energy: -356.489 Base-Backbone interact. energy: 1.977 local terms energy: -396.638088 where: bonds (distance) C4'-P energy: -76.716 bonds (distance) P-C4' energy: -78.663 flat angles C4'-P-C4' energy: -98.813 flat angles P-C4'-P energy: -59.556 tors. eta vs tors. theta energy: -82.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -1018.899544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.899544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.899544 (E_RNA) where: Base-Base interactions energy: -627.219 where: short stacking energy: -320.358 Base-Backbone interact. energy: -2.474 local terms energy: -389.207213 where: bonds (distance) C4'-P energy: -84.165 bonds (distance) P-C4' energy: -78.914 flat angles C4'-P-C4' energy: -82.040 flat angles P-C4'-P energy: -65.793 tors. eta vs tors. theta energy: -78.294 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: 5 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -941.124018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.124018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.124018 (E_RNA) where: Base-Base interactions energy: -593.120 where: short stacking energy: -290.362 Base-Backbone interact. energy: 0.187 local terms energy: -348.190789 where: bonds (distance) C4'-P energy: -72.015 bonds (distance) P-C4' energy: -92.420 flat angles C4'-P-C4' energy: -84.717 flat angles P-C4'-P energy: -47.286 tors. eta vs tors. theta energy: -51.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -713.307988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.307988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.307988 (E_RNA) where: Base-Base interactions energy: -396.246 where: short stacking energy: -213.740 Base-Backbone interact. energy: -3.051 local terms energy: -314.011416 where: bonds (distance) C4'-P energy: -77.902 bonds (distance) P-C4' energy: -98.545 flat angles C4'-P-C4' energy: -68.036 flat angles P-C4'-P energy: -45.399 tors. eta vs tors. theta energy: -24.130 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: 41 Temperature: 1.350000 Total energy: -593.932051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.932051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.932051 (E_RNA) where: Base-Base interactions energy: -315.597 where: short stacking energy: -169.563 Base-Backbone interact. energy: 1.717 local terms energy: -280.051870 where: bonds (distance) C4'-P energy: -77.129 bonds (distance) P-C4' energy: -86.979 flat angles C4'-P-C4' energy: -72.872 flat angles P-C4'-P energy: -48.187 tors. eta vs tors. theta energy: 5.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1638.215136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.215136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.215136 (E_RNA) where: Base-Base interactions energy: -1128.546 where: short stacking energy: -499.133 Base-Backbone interact. energy: 2.898 local terms energy: -512.566825 where: bonds (distance) C4'-P energy: -83.024 bonds (distance) P-C4' energy: -102.484 flat angles C4'-P-C4' energy: -115.286 flat angles P-C4'-P energy: -78.669 tors. eta vs tors. theta energy: -133.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1591.372156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.372156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.372156 (E_RNA) where: Base-Base interactions energy: -1097.946 where: short stacking energy: -472.786 Base-Backbone interact. energy: -1.159 local terms energy: -492.267689 where: bonds (distance) C4'-P energy: -96.472 bonds (distance) P-C4' energy: -99.089 flat angles C4'-P-C4' energy: -99.662 flat angles P-C4'-P energy: -76.933 tors. eta vs tors. theta energy: -120.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -1511.861940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.861940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.861940 (E_RNA) where: Base-Base interactions energy: -1009.431 where: short stacking energy: -456.723 Base-Backbone interact. energy: -1.355 local terms energy: -501.075405 where: bonds (distance) C4'-P energy: -103.089 bonds (distance) P-C4' energy: -101.235 flat angles C4'-P-C4' energy: -98.385 flat angles P-C4'-P energy: -72.304 tors. eta vs tors. theta energy: -126.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -1444.603874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.603874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.603874 (E_RNA) where: Base-Base interactions energy: -958.049 where: short stacking energy: -417.813 Base-Backbone interact. energy: -0.452 local terms energy: -486.103054 where: bonds (distance) C4'-P energy: -101.433 bonds (distance) P-C4' energy: -99.096 flat angles C4'-P-C4' energy: -97.170 flat angles P-C4'-P energy: -68.464 tors. eta vs tors. theta energy: -119.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -1464.489988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.489988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.489988 (E_RNA) where: Base-Base interactions energy: -996.337 where: short stacking energy: -445.236 Base-Backbone interact. energy: -0.600 local terms energy: -467.552509 where: bonds (distance) C4'-P energy: -93.524 bonds (distance) P-C4' energy: -90.253 flat angles C4'-P-C4' energy: -105.268 flat angles P-C4'-P energy: -57.469 tors. eta vs tors. theta energy: -121.038 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: 6, replica: 1 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -1140.332953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.332953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.332953 (E_RNA) where: Base-Base interactions energy: -728.579 where: short stacking energy: -321.986 Base-Backbone interact. energy: -3.670 local terms energy: -408.083743 where: bonds (distance) C4'-P energy: -87.974 bonds (distance) P-C4' energy: -103.712 flat angles C4'-P-C4' energy: -81.294 flat angles P-C4'-P energy: -67.015 tors. eta vs tors. theta energy: -68.088 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: 7, replica: 2 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -1018.892869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.892869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.892869 (E_RNA) where: Base-Base interactions energy: -640.917 where: short stacking energy: -321.253 Base-Backbone interact. energy: -0.876 local terms energy: -377.100447 where: bonds (distance) C4'-P energy: -82.903 bonds (distance) P-C4' energy: -96.201 flat angles C4'-P-C4' energy: -81.424 flat angles P-C4'-P energy: -51.632 tors. eta vs tors. theta energy: -64.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -931.926110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.926110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.926110 (E_RNA) where: Base-Base interactions energy: -598.723 where: short stacking energy: -248.337 Base-Backbone interact. energy: -0.935 local terms energy: -332.268750 where: bonds (distance) C4'-P energy: -72.205 bonds (distance) P-C4' energy: -87.214 flat angles C4'-P-C4' energy: -83.010 flat angles P-C4'-P energy: -51.979 tors. eta vs tors. theta energy: -37.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -714.396600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.396600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.396600 (E_RNA) where: Base-Base interactions energy: -408.197 where: short stacking energy: -215.864 Base-Backbone interact. energy: -0.963 local terms energy: -305.237004 where: bonds (distance) C4'-P energy: -76.254 bonds (distance) P-C4' energy: -90.416 flat angles C4'-P-C4' energy: -65.178 flat angles P-C4'-P energy: -42.604 tors. eta vs tors. theta energy: -30.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -616.955813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.955813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.955813 (E_RNA) where: Base-Base interactions energy: -349.870 where: short stacking energy: -197.931 Base-Backbone interact. energy: 8.453 local terms energy: -275.538943 where: bonds (distance) C4'-P energy: -72.869 bonds (distance) P-C4' energy: -66.429 flat angles C4'-P-C4' energy: -80.518 flat angles P-C4'-P energy: -37.183 tors. eta vs tors. theta energy: -18.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1656.905663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.905663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.905663 (E_RNA) where: Base-Base interactions energy: -1129.723 where: short stacking energy: -492.264 Base-Backbone interact. energy: 0.327 local terms energy: -527.510287 where: bonds (distance) C4'-P energy: -98.981 bonds (distance) P-C4' energy: -101.539 flat angles C4'-P-C4' energy: -110.666 flat angles P-C4'-P energy: -78.315 tors. eta vs tors. theta energy: -138.010 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: 7 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1567.349349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.349349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.349349 (E_RNA) where: Base-Base interactions energy: -1079.389 where: short stacking energy: -456.457 Base-Backbone interact. energy: 2.800 local terms energy: -490.759937 where: bonds (distance) C4'-P energy: -93.033 bonds (distance) P-C4' energy: -105.635 flat angles C4'-P-C4' energy: -108.328 flat angles P-C4'-P energy: -70.418 tors. eta vs tors. theta energy: -113.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -1504.560679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.560679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.560679 (E_RNA) where: Base-Base interactions energy: -1028.476 where: short stacking energy: -453.429 Base-Backbone interact. energy: -1.434 local terms energy: -474.650716 where: bonds (distance) C4'-P energy: -88.762 bonds (distance) P-C4' energy: -93.562 flat angles C4'-P-C4' energy: -97.307 flat angles P-C4'-P energy: -73.914 tors. eta vs tors. theta energy: -121.106 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: 4, replica: 3 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -1477.451657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.451657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.451657 (E_RNA) where: Base-Base interactions energy: -1004.680 where: short stacking energy: -434.570 Base-Backbone interact. energy: -3.102 local terms energy: -469.670168 where: bonds (distance) C4'-P energy: -89.850 bonds (distance) P-C4' energy: -88.478 flat angles C4'-P-C4' energy: -94.105 flat angles P-C4'-P energy: -68.801 tors. eta vs tors. theta energy: -128.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -1380.380560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.380560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.380560 (E_RNA) where: Base-Base interactions energy: -966.412 where: short stacking energy: -425.609 Base-Backbone interact. energy: 0.957 local terms energy: -414.925699 where: bonds (distance) C4'-P energy: -80.815 bonds (distance) P-C4' energy: -66.316 flat angles C4'-P-C4' energy: -107.775 flat angles P-C4'-P energy: -54.839 tors. eta vs tors. theta energy: -105.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -1151.502944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.502944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.502944 (E_RNA) where: Base-Base interactions energy: -756.601 where: short stacking energy: -327.870 Base-Backbone interact. energy: -1.815 local terms energy: -393.087781 where: bonds (distance) C4'-P energy: -80.606 bonds (distance) P-C4' energy: -77.756 flat angles C4'-P-C4' energy: -104.019 flat angles P-C4'-P energy: -49.031 tors. eta vs tors. theta energy: -81.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -1006.594401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.594401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.594401 (E_RNA) where: Base-Base interactions energy: -628.783 where: short stacking energy: -300.443 Base-Backbone interact. energy: -1.338 local terms energy: -376.472915 where: bonds (distance) C4'-P energy: -79.973 bonds (distance) P-C4' energy: -86.465 flat angles C4'-P-C4' energy: -86.279 flat angles P-C4'-P energy: -59.380 tors. eta vs tors. theta energy: -64.376 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: 5 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -923.878427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.878427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.878427 (E_RNA) where: Base-Base interactions energy: -603.192 where: short stacking energy: -271.919 Base-Backbone interact. energy: -1.609 local terms energy: -319.077547 where: bonds (distance) C4'-P energy: -71.463 bonds (distance) P-C4' energy: -82.271 flat angles C4'-P-C4' energy: -78.594 flat angles P-C4'-P energy: -45.898 tors. eta vs tors. theta energy: -40.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -732.693675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.693675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.693675 (E_RNA) where: Base-Base interactions energy: -414.072 where: short stacking energy: -221.135 Base-Backbone interact. energy: -2.341 local terms energy: -316.280904 where: bonds (distance) C4'-P energy: -74.081 bonds (distance) P-C4' energy: -77.896 flat angles C4'-P-C4' energy: -83.562 flat angles P-C4'-P energy: -49.493 tors. eta vs tors. theta energy: -31.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -653.305696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.305696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.305696 (E_RNA) where: Base-Base interactions energy: -381.520 where: short stacking energy: -215.094 Base-Backbone interact. energy: 0.884 local terms energy: -272.669531 where: bonds (distance) C4'-P energy: -74.926 bonds (distance) P-C4' energy: -69.168 flat angles C4'-P-C4' energy: -78.569 flat angles P-C4'-P energy: -35.855 tors. eta vs tors. theta energy: -14.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1661.100338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.100338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.100338 (E_RNA) where: Base-Base interactions energy: -1164.717 where: short stacking energy: -527.204 Base-Backbone interact. energy: 0.121 local terms energy: -496.504842 where: bonds (distance) C4'-P energy: -86.434 bonds (distance) P-C4' energy: -89.970 flat angles C4'-P-C4' energy: -104.244 flat angles P-C4'-P energy: -77.029 tors. eta vs tors. theta energy: -138.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1554.175171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.175171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.175171 (E_RNA) where: Base-Base interactions energy: -1080.173 where: short stacking energy: -458.047 Base-Backbone interact. energy: -1.126 local terms energy: -472.876090 where: bonds (distance) C4'-P energy: -92.828 bonds (distance) P-C4' energy: -105.881 flat angles C4'-P-C4' energy: -95.281 flat angles P-C4'-P energy: -71.166 tors. eta vs tors. theta energy: -107.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -1492.171139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.171139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.171139 (E_RNA) where: Base-Base interactions energy: -1020.761 where: short stacking energy: -457.304 Base-Backbone interact. energy: 0.720 local terms energy: -472.131038 where: bonds (distance) C4'-P energy: -89.158 bonds (distance) P-C4' energy: -96.648 flat angles C4'-P-C4' energy: -98.050 flat angles P-C4'-P energy: -66.301 tors. eta vs tors. theta energy: -121.974 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: 44 Temperature: 1.050000 Total energy: -1456.028088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.028088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.028088 (E_RNA) where: Base-Base interactions energy: -978.689 where: short stacking energy: -435.216 Base-Backbone interact. energy: 3.136 local terms energy: -480.474719 where: bonds (distance) C4'-P energy: -90.056 bonds (distance) P-C4' energy: -100.308 flat angles C4'-P-C4' energy: -98.194 flat angles P-C4'-P energy: -74.673 tors. eta vs tors. theta energy: -117.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -1457.542293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.542293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.542293 (E_RNA) where: Base-Base interactions energy: -998.186 where: short stacking energy: -452.082 Base-Backbone interact. energy: -0.097 local terms energy: -459.259609 where: bonds (distance) C4'-P energy: -82.148 bonds (distance) P-C4' energy: -88.915 flat angles C4'-P-C4' energy: -103.314 flat angles P-C4'-P energy: -59.882 tors. eta vs tors. theta energy: -125.001 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: 1 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -1153.168830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.168830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.168830 (E_RNA) where: Base-Base interactions energy: -753.489 where: short stacking energy: -353.869 Base-Backbone interact. energy: -0.189 local terms energy: -399.490187 where: bonds (distance) C4'-P energy: -75.631 bonds (distance) P-C4' energy: -104.343 flat angles C4'-P-C4' energy: -82.885 flat angles P-C4'-P energy: -58.710 tors. eta vs tors. theta energy: -77.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -998.731536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.731536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.731536 (E_RNA) where: Base-Base interactions energy: -635.793 where: short stacking energy: -315.720 Base-Backbone interact. energy: -1.455 local terms energy: -361.483478 where: bonds (distance) C4'-P energy: -75.333 bonds (distance) P-C4' energy: -88.531 flat angles C4'-P-C4' energy: -92.719 flat angles P-C4'-P energy: -38.572 tors. eta vs tors. theta energy: -66.329 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: 5 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -919.862168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.862168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.862168 (E_RNA) where: Base-Base interactions energy: -580.805 where: short stacking energy: -284.564 Base-Backbone interact. energy: 1.724 local terms energy: -340.781276 where: bonds (distance) C4'-P energy: -70.516 bonds (distance) P-C4' energy: -73.685 flat angles C4'-P-C4' energy: -87.567 flat angles P-C4'-P energy: -59.748 tors. eta vs tors. theta energy: -49.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -678.696817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.696817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.696817 (E_RNA) where: Base-Base interactions energy: -384.362 where: short stacking energy: -185.105 Base-Backbone interact. energy: 0.696 local terms energy: -295.029942 where: bonds (distance) C4'-P energy: -79.404 bonds (distance) P-C4' energy: -77.943 flat angles C4'-P-C4' energy: -75.326 flat angles P-C4'-P energy: -55.000 tors. eta vs tors. theta energy: -7.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -622.726742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.726742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.726742 (E_RNA) where: Base-Base interactions energy: -327.430 where: short stacking energy: -173.639 Base-Backbone interact. energy: -0.967 local terms energy: -294.330013 where: bonds (distance) C4'-P energy: -60.441 bonds (distance) P-C4' energy: -98.711 flat angles C4'-P-C4' energy: -72.987 flat angles P-C4'-P energy: -48.768 tors. eta vs tors. theta energy: -13.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1635.016297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.016297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.016297 (E_RNA) where: Base-Base interactions energy: -1116.007 where: short stacking energy: -493.529 Base-Backbone interact. energy: -2.367 local terms energy: -516.642430 where: bonds (distance) C4'-P energy: -100.079 bonds (distance) P-C4' energy: -92.738 flat angles C4'-P-C4' energy: -106.411 flat angles P-C4'-P energy: -82.253 tors. eta vs tors. theta energy: -135.160 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: 2, replica: 7 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1565.824401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.824401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.824401 (E_RNA) where: Base-Base interactions energy: -1087.613 where: short stacking energy: -463.810 Base-Backbone interact. energy: -3.290 local terms energy: -474.921283 where: bonds (distance) C4'-P energy: -97.540 bonds (distance) P-C4' energy: -93.656 flat angles C4'-P-C4' energy: -106.528 flat angles P-C4'-P energy: -56.025 tors. eta vs tors. theta energy: -121.173 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: 8 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -1471.362837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1471.362837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1471.362837 (E_RNA) where: Base-Base interactions energy: -979.241 where: short stacking energy: -453.250 Base-Backbone interact. energy: -0.796 local terms energy: -491.325484 where: bonds (distance) C4'-P energy: -92.600 bonds (distance) P-C4' energy: -87.363 flat angles C4'-P-C4' energy: -116.322 flat angles P-C4'-P energy: -72.051 tors. eta vs tors. theta energy: -122.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -1461.846471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.846471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.846471 (E_RNA) where: Base-Base interactions energy: -989.599 where: short stacking energy: -454.658 Base-Backbone interact. energy: -0.659 local terms energy: -471.588461 where: bonds (distance) C4'-P energy: -90.354 bonds (distance) P-C4' energy: -95.125 flat angles C4'-P-C4' energy: -111.994 flat angles P-C4'-P energy: -57.946 tors. eta vs tors. theta energy: -116.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -1424.222560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.222560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.222560 (E_RNA) where: Base-Base interactions energy: -980.814 where: short stacking energy: -409.548 Base-Backbone interact. energy: -3.108 local terms energy: -440.300639 where: bonds (distance) C4'-P energy: -78.755 bonds (distance) P-C4' energy: -90.144 flat angles C4'-P-C4' energy: -91.140 flat angles P-C4'-P energy: -60.984 tors. eta vs tors. theta energy: -119.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -1150.380999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.380999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.380999 (E_RNA) where: Base-Base interactions energy: -748.242 where: short stacking energy: -338.265 Base-Backbone interact. energy: 4.108 local terms energy: -406.247215 where: bonds (distance) C4'-P energy: -75.987 bonds (distance) P-C4' energy: -97.715 flat angles C4'-P-C4' energy: -95.797 flat angles P-C4'-P energy: -67.172 tors. eta vs tors. theta energy: -69.576 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: 2 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -956.842166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.842166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.842166 (E_RNA) where: Base-Base interactions energy: -600.609 where: short stacking energy: -284.531 Base-Backbone interact. energy: 0.921 local terms energy: -357.154623 where: bonds (distance) C4'-P energy: -75.367 bonds (distance) P-C4' energy: -92.621 flat angles C4'-P-C4' energy: -81.092 flat angles P-C4'-P energy: -42.804 tors. eta vs tors. theta energy: -65.271 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: 5 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -936.202876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.202876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.202876 (E_RNA) where: Base-Base interactions energy: -583.354 where: short stacking energy: -297.053 Base-Backbone interact. energy: -0.116 local terms energy: -352.732104 where: bonds (distance) C4'-P energy: -83.282 bonds (distance) P-C4' energy: -74.510 flat angles C4'-P-C4' energy: -84.695 flat angles P-C4'-P energy: -52.069 tors. eta vs tors. theta energy: -58.176 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: 10 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -705.745182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.745182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.745182 (E_RNA) where: Base-Base interactions energy: -384.103 where: short stacking energy: -228.442 Base-Backbone interact. energy: -1.076 local terms energy: -320.565708 where: bonds (distance) C4'-P energy: -90.772 bonds (distance) P-C4' energy: -83.408 flat angles C4'-P-C4' energy: -76.394 flat angles P-C4'-P energy: -49.286 tors. eta vs tors. theta energy: -20.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -645.255715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.255715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.255715 (E_RNA) where: Base-Base interactions energy: -357.178 where: short stacking energy: -188.100 Base-Backbone interact. energy: 0.857 local terms energy: -288.934024 where: bonds (distance) C4'-P energy: -79.395 bonds (distance) P-C4' energy: -77.822 flat angles C4'-P-C4' energy: -70.844 flat angles P-C4'-P energy: -45.624 tors. eta vs tors. theta energy: -15.248 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: 9 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1628.693353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.693353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.693353 (E_RNA) where: Base-Base interactions energy: -1111.074 where: short stacking energy: -456.667 Base-Backbone interact. energy: 0.086 local terms energy: -517.705756 where: bonds (distance) C4'-P energy: -92.621 bonds (distance) P-C4' energy: -108.512 flat angles C4'-P-C4' energy: -111.759 flat angles P-C4'-P energy: -75.894 tors. eta vs tors. theta energy: -128.920 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: 7 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1598.892638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.892638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.892638 (E_RNA) where: Base-Base interactions energy: -1121.247 where: short stacking energy: -492.889 Base-Backbone interact. energy: 3.169 local terms energy: -480.814716 where: bonds (distance) C4'-P energy: -82.714 bonds (distance) P-C4' energy: -97.784 flat angles C4'-P-C4' energy: -93.728 flat angles P-C4'-P energy: -76.893 tors. eta vs tors. theta energy: -129.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -1522.381383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.381383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.381383 (E_RNA) where: Base-Base interactions energy: -1057.141 where: short stacking energy: -443.227 Base-Backbone interact. energy: -1.124 local terms energy: -464.116041 where: bonds (distance) C4'-P energy: -82.036 bonds (distance) P-C4' energy: -95.477 flat angles C4'-P-C4' energy: -104.154 flat angles P-C4'-P energy: -58.263 tors. eta vs tors. theta energy: -124.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -1412.189642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.189642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.189642 (E_RNA) where: Base-Base interactions energy: -914.995 where: short stacking energy: -419.835 Base-Backbone interact. energy: -2.451 local terms energy: -494.743459 where: bonds (distance) C4'-P energy: -93.246 bonds (distance) P-C4' energy: -96.814 flat angles C4'-P-C4' energy: -109.233 flat angles P-C4'-P energy: -74.280 tors. eta vs tors. theta energy: -121.171 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: 5, replica: 3 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -1385.546321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.546321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.546321 (E_RNA) where: Base-Base interactions energy: -946.906 where: short stacking energy: -409.211 Base-Backbone interact. energy: -2.831 local terms energy: -435.808920 where: bonds (distance) C4'-P energy: -91.761 bonds (distance) P-C4' energy: -78.826 flat angles C4'-P-C4' energy: -100.075 flat angles P-C4'-P energy: -77.303 tors. eta vs tors. theta energy: -87.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -1150.194897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.194897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.194897 (E_RNA) where: Base-Base interactions energy: -740.377 where: short stacking energy: -366.300 Base-Backbone interact. energy: -0.681 local terms energy: -409.136527 where: bonds (distance) C4'-P energy: -81.270 bonds (distance) P-C4' energy: -90.268 flat angles C4'-P-C4' energy: -80.952 flat angles P-C4'-P energy: -71.275 tors. eta vs tors. theta energy: -85.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -984.327136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.327136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.327136 (E_RNA) where: Base-Base interactions energy: -627.118 where: short stacking energy: -288.136 Base-Backbone interact. energy: -2.757 local terms energy: -354.451964 where: bonds (distance) C4'-P energy: -74.601 bonds (distance) P-C4' energy: -83.546 flat angles C4'-P-C4' energy: -81.933 flat angles P-C4'-P energy: -53.172 tors. eta vs tors. theta energy: -61.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -948.835157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.835157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.835157 (E_RNA) where: Base-Base interactions energy: -600.553 where: short stacking energy: -261.330 Base-Backbone interact. energy: 0.757 local terms energy: -349.038355 where: bonds (distance) C4'-P energy: -79.680 bonds (distance) P-C4' energy: -79.558 flat angles C4'-P-C4' energy: -86.935 flat angles P-C4'-P energy: -52.820 tors. eta vs tors. theta energy: -50.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -699.433419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.433419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.433419 (E_RNA) where: Base-Base interactions energy: -383.915 where: short stacking energy: -210.533 Base-Backbone interact. energy: -2.335 local terms energy: -313.183861 where: bonds (distance) C4'-P energy: -71.743 bonds (distance) P-C4' energy: -88.437 flat angles C4'-P-C4' energy: -85.105 flat angles P-C4'-P energy: -39.985 tors. eta vs tors. theta energy: -27.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -702.454498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.454498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.454498 (E_RNA) where: Base-Base interactions energy: -390.936 where: short stacking energy: -210.375 Base-Backbone interact. energy: 1.498 local terms energy: -313.016800 where: bonds (distance) C4'-P energy: -69.626 bonds (distance) P-C4' energy: -88.058 flat angles C4'-P-C4' energy: -76.925 flat angles P-C4'-P energy: -44.692 tors. eta vs tors. theta energy: -33.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1628.247322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.247322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.247322 (E_RNA) where: Base-Base interactions energy: -1105.919 where: short stacking energy: -478.473 Base-Backbone interact. energy: -0.299 local terms energy: -522.029258 where: bonds (distance) C4'-P energy: -101.786 bonds (distance) P-C4' energy: -107.199 flat angles C4'-P-C4' energy: -106.754 flat angles P-C4'-P energy: -77.545 tors. eta vs tors. theta energy: -128.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1582.676038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.676038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.676038 (E_RNA) where: Base-Base interactions energy: -1093.504 where: short stacking energy: -480.958 Base-Backbone interact. energy: -2.680 local terms energy: -486.491575 where: bonds (distance) C4'-P energy: -88.078 bonds (distance) P-C4' energy: -97.845 flat angles C4'-P-C4' energy: -105.699 flat angles P-C4'-P energy: -68.722 tors. eta vs tors. theta energy: -126.148 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: 7 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -1565.941139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.941139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.941139 (E_RNA) where: Base-Base interactions energy: -1096.924 where: short stacking energy: -453.511 Base-Backbone interact. energy: -0.577 local terms energy: -468.439405 where: bonds (distance) C4'-P energy: -89.114 bonds (distance) P-C4' energy: -89.658 flat angles C4'-P-C4' energy: -105.074 flat angles P-C4'-P energy: -71.970 tors. eta vs tors. theta energy: -112.624 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: 3 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -1452.828156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.828156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.828156 (E_RNA) where: Base-Base interactions energy: -1003.087 where: short stacking energy: -414.655 Base-Backbone interact. energy: -5.797 local terms energy: -443.943600 where: bonds (distance) C4'-P energy: -83.446 bonds (distance) P-C4' energy: -92.431 flat angles C4'-P-C4' energy: -97.465 flat angles P-C4'-P energy: -68.227 tors. eta vs tors. theta energy: -102.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -1360.907456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.907456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.907456 (E_RNA) where: Base-Base interactions energy: -913.068 where: short stacking energy: -402.657 Base-Backbone interact. energy: -1.950 local terms energy: -445.889357 where: bonds (distance) C4'-P energy: -77.497 bonds (distance) P-C4' energy: -89.982 flat angles C4'-P-C4' energy: -105.688 flat angles P-C4'-P energy: -63.973 tors. eta vs tors. theta energy: -108.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -1157.214988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.214988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.214988 (E_RNA) where: Base-Base interactions energy: -751.271 where: short stacking energy: -331.717 Base-Backbone interact. energy: 0.074 local terms energy: -406.018002 where: bonds (distance) C4'-P energy: -85.991 bonds (distance) P-C4' energy: -85.715 flat angles C4'-P-C4' energy: -90.258 flat angles P-C4'-P energy: -73.345 tors. eta vs tors. theta energy: -70.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -1015.101679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.101679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.101679 (E_RNA) where: Base-Base interactions energy: -643.693 where: short stacking energy: -286.082 Base-Backbone interact. energy: 0.267 local terms energy: -371.675565 where: bonds (distance) C4'-P energy: -76.084 bonds (distance) P-C4' energy: -82.089 flat angles C4'-P-C4' energy: -92.164 flat angles P-C4'-P energy: -55.170 tors. eta vs tors. theta energy: -66.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -992.543405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.543405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.543405 (E_RNA) where: Base-Base interactions energy: -638.819 where: short stacking energy: -275.943 Base-Backbone interact. energy: -1.960 local terms energy: -351.764085 where: bonds (distance) C4'-P energy: -68.766 bonds (distance) P-C4' energy: -93.882 flat angles C4'-P-C4' energy: -77.024 flat angles P-C4'-P energy: -59.119 tors. eta vs tors. theta energy: -52.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -750.680323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.680323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.680323 (E_RNA) where: Base-Base interactions energy: -460.399 where: short stacking energy: -216.545 Base-Backbone interact. energy: 2.909 local terms energy: -293.190101 where: bonds (distance) C4'-P energy: -80.661 bonds (distance) P-C4' energy: -77.007 flat angles C4'-P-C4' energy: -70.656 flat angles P-C4'-P energy: -41.662 tors. eta vs tors. theta energy: -23.205 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: 47 Temperature: 1.350000 Total energy: -679.877804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.877804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.877804 (E_RNA) where: Base-Base interactions energy: -379.948 where: short stacking energy: -197.800 Base-Backbone interact. energy: -1.334 local terms energy: -298.595828 where: bonds (distance) C4'-P energy: -76.619 bonds (distance) P-C4' energy: -90.846 flat angles C4'-P-C4' energy: -71.740 flat angles P-C4'-P energy: -32.256 tors. eta vs tors. theta energy: -27.135 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: 4 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1647.274861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.274861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.274861 (E_RNA) where: Base-Base interactions energy: -1132.273 where: short stacking energy: -511.045 Base-Backbone interact. energy: -3.295 local terms energy: -511.706713 where: bonds (distance) C4'-P energy: -90.055 bonds (distance) P-C4' energy: -100.533 flat angles C4'-P-C4' energy: -90.935 flat angles P-C4'-P energy: -78.000 tors. eta vs tors. theta energy: -152.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1581.314029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.314029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.314029 (E_RNA) where: Base-Base interactions energy: -1077.711 where: short stacking energy: -479.362 Base-Backbone interact. energy: -3.395 local terms energy: -500.208028 where: bonds (distance) C4'-P energy: -83.643 bonds (distance) P-C4' energy: -104.874 flat angles C4'-P-C4' energy: -110.757 flat angles P-C4'-P energy: -68.971 tors. eta vs tors. theta energy: -131.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -1540.098925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.098925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.098925 (E_RNA) where: Base-Base interactions energy: -1092.763 where: short stacking energy: -441.101 Base-Backbone interact. energy: 0.996 local terms energy: -448.332161 where: bonds (distance) C4'-P energy: -83.497 bonds (distance) P-C4' energy: -102.712 flat angles C4'-P-C4' energy: -84.715 flat angles P-C4'-P energy: -60.717 tors. eta vs tors. theta energy: -116.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -1464.134168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.134168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.134168 (E_RNA) where: Base-Base interactions energy: -1005.174 where: short stacking energy: -430.348 Base-Backbone interact. energy: -2.153 local terms energy: -456.807624 where: bonds (distance) C4'-P energy: -84.412 bonds (distance) P-C4' energy: -100.074 flat angles C4'-P-C4' energy: -101.635 flat angles P-C4'-P energy: -66.579 tors. eta vs tors. theta energy: -104.107 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: 8 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -1376.612055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.612055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.612055 (E_RNA) where: Base-Base interactions energy: -931.284 where: short stacking energy: -394.699 Base-Backbone interact. energy: -0.559 local terms energy: -444.769712 where: bonds (distance) C4'-P energy: -86.989 bonds (distance) P-C4' energy: -89.710 flat angles C4'-P-C4' energy: -103.983 flat angles P-C4'-P energy: -62.607 tors. eta vs tors. theta energy: -101.481 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: 6, replica: 1 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -1207.943488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.943488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.943488 (E_RNA) where: Base-Base interactions energy: -817.592 where: short stacking energy: -365.754 Base-Backbone interact. energy: -0.843 local terms energy: -389.509148 where: bonds (distance) C4'-P energy: -76.158 bonds (distance) P-C4' energy: -98.282 flat angles C4'-P-C4' energy: -84.771 flat angles P-C4'-P energy: -51.288 tors. eta vs tors. theta energy: -79.010 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: 2 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -1031.702157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.702157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.702157 (E_RNA) where: Base-Base interactions energy: -650.532 where: short stacking energy: -290.625 Base-Backbone interact. energy: -2.210 local terms energy: -378.961019 where: bonds (distance) C4'-P energy: -82.139 bonds (distance) P-C4' energy: -96.994 flat angles C4'-P-C4' energy: -83.917 flat angles P-C4'-P energy: -52.853 tors. eta vs tors. theta energy: -63.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -1057.691800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.691800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.691800 (E_RNA) where: Base-Base interactions energy: -686.923 where: short stacking energy: -291.657 Base-Backbone interact. energy: -1.397 local terms energy: -369.371959 where: bonds (distance) C4'-P energy: -85.793 bonds (distance) P-C4' energy: -82.942 flat angles C4'-P-C4' energy: -82.045 flat angles P-C4'-P energy: -53.027 tors. eta vs tors. theta energy: -65.565 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: 48 Temperature: 1.300000 Total energy: -795.853471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.853471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.853471 (E_RNA) where: Base-Base interactions energy: -498.366 where: short stacking energy: -252.095 Base-Backbone interact. energy: 3.411 local terms energy: -300.898324 where: bonds (distance) C4'-P energy: -70.277 bonds (distance) P-C4' energy: -81.375 flat angles C4'-P-C4' energy: -79.197 flat angles P-C4'-P energy: -33.061 tors. eta vs tors. theta energy: -36.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -579.551914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.551914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.551914 (E_RNA) where: Base-Base interactions energy: -308.154 where: short stacking energy: -146.252 Base-Backbone interact. energy: -0.448 local terms energy: -270.950749 where: bonds (distance) C4'-P energy: -79.143 bonds (distance) P-C4' energy: -81.728 flat angles C4'-P-C4' energy: -74.481 flat angles P-C4'-P energy: -28.856 tors. eta vs tors. theta energy: -6.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1649.232275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.232275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.232275 (E_RNA) where: Base-Base interactions energy: -1133.519 where: short stacking energy: -499.610 Base-Backbone interact. energy: -1.352 local terms energy: -514.361400 where: bonds (distance) C4'-P energy: -89.671 bonds (distance) P-C4' energy: -91.993 flat angles C4'-P-C4' energy: -111.256 flat angles P-C4'-P energy: -80.205 tors. eta vs tors. theta energy: -141.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1579.996306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.996306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.996306 (E_RNA) where: Base-Base interactions energy: -1096.629 where: short stacking energy: -465.942 Base-Backbone interact. energy: -1.477 local terms energy: -481.890313 where: bonds (distance) C4'-P energy: -94.245 bonds (distance) P-C4' energy: -99.642 flat angles C4'-P-C4' energy: -98.784 flat angles P-C4'-P energy: -59.987 tors. eta vs tors. theta energy: -129.233 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: 7 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -1536.181932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.181932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.181932 (E_RNA) where: Base-Base interactions energy: -1060.498 where: short stacking energy: -437.185 Base-Backbone interact. energy: -0.576 local terms energy: -475.108040 where: bonds (distance) C4'-P energy: -96.405 bonds (distance) P-C4' energy: -100.150 flat angles C4'-P-C4' energy: -94.229 flat angles P-C4'-P energy: -70.112 tors. eta vs tors. theta energy: -114.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -1451.749315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.749315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.749315 (E_RNA) where: Base-Base interactions energy: -1001.638 where: short stacking energy: -416.961 Base-Backbone interact. energy: -2.638 local terms energy: -447.473511 where: bonds (distance) C4'-P energy: -87.909 bonds (distance) P-C4' energy: -87.797 flat angles C4'-P-C4' energy: -104.259 flat angles P-C4'-P energy: -65.197 tors. eta vs tors. theta energy: -102.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -1356.034141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.034141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.034141 (E_RNA) where: Base-Base interactions energy: -906.893 where: short stacking energy: -401.230 Base-Backbone interact. energy: -2.869 local terms energy: -446.272533 where: bonds (distance) C4'-P energy: -81.327 bonds (distance) P-C4' energy: -98.413 flat angles C4'-P-C4' energy: -88.651 flat angles P-C4'-P energy: -63.486 tors. eta vs tors. theta energy: -114.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -1197.034428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.034428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.034428 (E_RNA) where: Base-Base interactions energy: -796.384 where: short stacking energy: -351.409 Base-Backbone interact. energy: -2.294 local terms energy: -398.356083 where: bonds (distance) C4'-P energy: -85.142 bonds (distance) P-C4' energy: -82.717 flat angles C4'-P-C4' energy: -95.180 flat angles P-C4'-P energy: -61.130 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: 7, replica: 2 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -1001.510398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.510398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.510398 (E_RNA) where: Base-Base interactions energy: -624.141 where: short stacking energy: -309.214 Base-Backbone interact. energy: 1.784 local terms energy: -379.152807 where: bonds (distance) C4'-P energy: -81.853 bonds (distance) P-C4' energy: -85.864 flat angles C4'-P-C4' energy: -83.781 flat angles P-C4'-P energy: -58.847 tors. eta vs tors. theta energy: -68.809 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: 5 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -1154.652059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.652059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.652059 (E_RNA) where: Base-Base interactions energy: -760.502 where: short stacking energy: -322.429 Base-Backbone interact. energy: -2.448 local terms energy: -391.701945 where: bonds (distance) C4'-P energy: -86.411 bonds (distance) P-C4' energy: -87.058 flat angles C4'-P-C4' energy: -77.052 flat angles P-C4'-P energy: -61.165 tors. eta vs tors. theta energy: -80.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -820.016588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.016588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.016588 (E_RNA) where: Base-Base interactions energy: -507.773 where: short stacking energy: -251.875 Base-Backbone interact. energy: -2.020 local terms energy: -310.223079 where: bonds (distance) C4'-P energy: -68.295 bonds (distance) P-C4' energy: -82.709 flat angles C4'-P-C4' energy: -87.392 flat angles P-C4'-P energy: -37.720 tors. eta vs tors. theta energy: -34.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -575.091231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.091231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.091231 (E_RNA) where: Base-Base interactions energy: -303.563 where: short stacking energy: -171.687 Base-Backbone interact. energy: -0.240 local terms energy: -271.287782 where: bonds (distance) C4'-P energy: -77.763 bonds (distance) P-C4' energy: -84.973 flat angles C4'-P-C4' energy: -70.950 flat angles P-C4'-P energy: -35.359 tors. eta vs tors. theta energy: -2.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1627.959439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.959439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.959439 (E_RNA) where: Base-Base interactions energy: -1114.971 where: short stacking energy: -479.494 Base-Backbone interact. energy: -3.006 local terms energy: -509.981666 where: bonds (distance) C4'-P energy: -96.080 bonds (distance) P-C4' energy: -91.623 flat angles C4'-P-C4' energy: -106.287 flat angles P-C4'-P energy: -79.384 tors. eta vs tors. theta energy: -136.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1606.798075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.798075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.798075 (E_RNA) where: Base-Base interactions energy: -1107.964 where: short stacking energy: -507.132 Base-Backbone interact. energy: -2.712 local terms energy: -496.121774 where: bonds (distance) C4'-P energy: -96.917 bonds (distance) P-C4' energy: -91.533 flat angles C4'-P-C4' energy: -103.822 flat angles P-C4'-P energy: -67.618 tors. eta vs tors. theta energy: -136.233 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: 7 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -1549.552727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.552727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.552727 (E_RNA) where: Base-Base interactions energy: -1082.975 where: short stacking energy: -462.961 Base-Backbone interact. energy: -1.408 local terms energy: -465.169849 where: bonds (distance) C4'-P energy: -82.603 bonds (distance) P-C4' energy: -94.773 flat angles C4'-P-C4' energy: -97.648 flat angles P-C4'-P energy: -62.919 tors. eta vs tors. theta energy: -127.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -1451.321932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.321932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.321932 (E_RNA) where: Base-Base interactions energy: -1001.989 where: short stacking energy: -406.404 Base-Backbone interact. energy: -2.625 local terms energy: -446.708401 where: bonds (distance) C4'-P energy: -87.676 bonds (distance) P-C4' energy: -94.881 flat angles C4'-P-C4' energy: -102.834 flat angles P-C4'-P energy: -58.210 tors. eta vs tors. theta energy: -103.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -1334.272940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.272940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.272940 (E_RNA) where: Base-Base interactions energy: -897.299 where: short stacking energy: -386.081 Base-Backbone interact. energy: -0.160 local terms energy: -436.813271 where: bonds (distance) C4'-P energy: -87.534 bonds (distance) P-C4' energy: -87.871 flat angles C4'-P-C4' energy: -100.283 flat angles P-C4'-P energy: -70.393 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: 6, replica: 1 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -1224.128802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.128802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.128802 (E_RNA) where: Base-Base interactions energy: -834.840 where: short stacking energy: -372.791 Base-Backbone interact. energy: 3.450 local terms energy: -392.739476 where: bonds (distance) C4'-P energy: -85.918 bonds (distance) P-C4' energy: -81.589 flat angles C4'-P-C4' energy: -108.543 flat angles P-C4'-P energy: -32.382 tors. eta vs tors. theta energy: -84.307 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: 2 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -1083.791847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.791847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.791847 (E_RNA) where: Base-Base interactions energy: -700.597 where: short stacking energy: -325.234 Base-Backbone interact. energy: 0.235 local terms energy: -383.430515 where: bonds (distance) C4'-P energy: -79.954 bonds (distance) P-C4' energy: -83.978 flat angles C4'-P-C4' energy: -87.927 flat angles P-C4'-P energy: -61.770 tors. eta vs tors. theta energy: -69.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -1072.949655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.949655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.949655 (E_RNA) where: Base-Base interactions energy: -727.442 where: short stacking energy: -307.973 Base-Backbone interact. energy: -1.404 local terms energy: -344.103578 where: bonds (distance) C4'-P energy: -75.343 bonds (distance) P-C4' energy: -79.998 flat angles C4'-P-C4' energy: -90.411 flat angles P-C4'-P energy: -41.293 tors. eta vs tors. theta energy: -57.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -822.822349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.822349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.822349 (E_RNA) where: Base-Base interactions energy: -512.067 where: short stacking energy: -248.178 Base-Backbone interact. energy: 0.341 local terms energy: -311.096659 where: bonds (distance) C4'-P energy: -76.305 bonds (distance) P-C4' energy: -76.979 flat angles C4'-P-C4' energy: -74.880 flat angles P-C4'-P energy: -58.288 tors. eta vs tors. theta energy: -24.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -591.377176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.377176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.377176 (E_RNA) where: Base-Base interactions energy: -298.389 where: short stacking energy: -152.791 Base-Backbone interact. energy: -2.460 local terms energy: -290.529011 where: bonds (distance) C4'-P energy: -70.692 bonds (distance) P-C4' energy: -91.426 flat angles C4'-P-C4' energy: -76.561 flat angles P-C4'-P energy: -36.848 tors. eta vs tors. theta energy: -15.003 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: 9 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1624.609321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.609321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.609321 (E_RNA) where: Base-Base interactions energy: -1096.582 where: short stacking energy: -492.632 Base-Backbone interact. energy: -1.966 local terms energy: -526.061581 where: bonds (distance) C4'-P energy: -107.160 bonds (distance) P-C4' energy: -97.720 flat angles C4'-P-C4' energy: -112.953 flat angles P-C4'-P energy: -72.544 tors. eta vs tors. theta energy: -135.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -1621.398490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.398490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.398490 (E_RNA) where: Base-Base interactions energy: -1121.378 where: short stacking energy: -510.717 Base-Backbone interact. energy: -1.795 local terms energy: -498.225101 where: bonds (distance) C4'-P energy: -86.620 bonds (distance) P-C4' energy: -87.725 flat angles C4'-P-C4' energy: -104.296 flat angles P-C4'-P energy: -76.203 tors. eta vs tors. theta energy: -143.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -1556.110529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.110529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.110529 (E_RNA) where: Base-Base interactions energy: -1097.890 where: short stacking energy: -451.600 Base-Backbone interact. energy: -3.975 local terms energy: -454.245165 where: bonds (distance) C4'-P energy: -81.823 bonds (distance) P-C4' energy: -88.288 flat angles C4'-P-C4' energy: -108.848 flat angles P-C4'-P energy: -54.066 tors. eta vs tors. theta energy: -121.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -1445.569697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.569697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.569697 (E_RNA) where: Base-Base interactions energy: -967.650 where: short stacking energy: -400.886 Base-Backbone interact. energy: -0.353 local terms energy: -477.567209 where: bonds (distance) C4'-P energy: -89.003 bonds (distance) P-C4' energy: -101.088 flat angles C4'-P-C4' energy: -111.675 flat angles P-C4'-P energy: -70.693 tors. eta vs tors. theta energy: -105.107 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: 8 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -1333.914245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.914245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.914245 (E_RNA) where: Base-Base interactions energy: -895.184 where: short stacking energy: -383.956 Base-Backbone interact. energy: -0.846 local terms energy: -437.884089 where: bonds (distance) C4'-P energy: -81.881 bonds (distance) P-C4' energy: -95.912 flat angles C4'-P-C4' energy: -95.984 flat angles P-C4'-P energy: -60.886 tors. eta vs tors. theta energy: -103.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -1239.853719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.853719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.853719 (E_RNA) where: Base-Base interactions energy: -816.364 where: short stacking energy: -341.013 Base-Backbone interact. energy: -0.441 local terms energy: -423.048869 where: bonds (distance) C4'-P energy: -81.996 bonds (distance) P-C4' energy: -92.438 flat angles C4'-P-C4' energy: -104.102 flat angles P-C4'-P energy: -56.838 tors. eta vs tors. theta energy: -87.675 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: 2 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -1060.977293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.977293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.977293 (E_RNA) where: Base-Base interactions energy: -693.723 where: short stacking energy: -303.777 Base-Backbone interact. energy: -1.272 local terms energy: -365.982875 where: bonds (distance) C4'-P energy: -78.492 bonds (distance) P-C4' energy: -80.704 flat angles C4'-P-C4' energy: -94.145 flat angles P-C4'-P energy: -52.553 tors. eta vs tors. theta energy: -60.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -1108.797320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.797320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.797320 (E_RNA) where: Base-Base interactions energy: -734.262 where: short stacking energy: -319.014 Base-Backbone interact. energy: -1.639 local terms energy: -372.896330 where: bonds (distance) C4'-P energy: -85.956 bonds (distance) P-C4' energy: -92.169 flat angles C4'-P-C4' energy: -94.427 flat angles P-C4'-P energy: -43.108 tors. eta vs tors. theta energy: -57.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -900.039376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.039376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.039376 (E_RNA) where: Base-Base interactions energy: -566.211 where: short stacking energy: -272.149 Base-Backbone interact. energy: 0.108 local terms energy: -333.936664 where: bonds (distance) C4'-P energy: -72.937 bonds (distance) P-C4' energy: -86.048 flat angles C4'-P-C4' energy: -72.828 flat angles P-C4'-P energy: -49.743 tors. eta vs tors. theta energy: -52.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -579.364401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.364401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.364401 (E_RNA) where: Base-Base interactions energy: -293.011 where: short stacking energy: -180.974 Base-Backbone interact. energy: 4.984 local terms energy: -291.337234 where: bonds (distance) C4'-P energy: -65.674 bonds (distance) P-C4' energy: -90.541 flat angles C4'-P-C4' energy: -75.874 flat angles P-C4'-P energy: -54.974 tors. eta vs tors. theta energy: -4.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1641.019343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.019343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.019343 (E_RNA) where: Base-Base interactions energy: -1127.347 where: short stacking energy: -521.465 Base-Backbone interact. energy: -2.085 local terms energy: -511.588056 where: bonds (distance) C4'-P energy: -99.567 bonds (distance) P-C4' energy: -97.908 flat angles C4'-P-C4' energy: -105.148 flat angles P-C4'-P energy: -69.870 tors. eta vs tors. theta energy: -139.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -1624.921826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.921826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.921826 (E_RNA) where: Base-Base interactions energy: -1096.028 where: short stacking energy: -521.556 Base-Backbone interact. energy: -0.687 local terms energy: -528.207069 where: bonds (distance) C4'-P energy: -98.461 bonds (distance) P-C4' energy: -104.621 flat angles C4'-P-C4' energy: -108.957 flat angles P-C4'-P energy: -68.100 tors. eta vs tors. theta energy: -148.068 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: 7 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -1593.177733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.177733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.177733 (E_RNA) where: Base-Base interactions energy: -1106.449 where: short stacking energy: -459.661 Base-Backbone interact. energy: -5.588 local terms energy: -481.140633 where: bonds (distance) C4'-P energy: -88.730 bonds (distance) P-C4' energy: -96.448 flat angles C4'-P-C4' energy: -106.201 flat angles P-C4'-P energy: -63.170 tors. eta vs tors. theta energy: -126.591 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: 3 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -1451.173805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.173805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.173805 (E_RNA) where: Base-Base interactions energy: -992.262 where: short stacking energy: -442.671 Base-Backbone interact. energy: -0.874 local terms energy: -458.037302 where: bonds (distance) C4'-P energy: -80.186 bonds (distance) P-C4' energy: -95.445 flat angles C4'-P-C4' energy: -100.472 flat angles P-C4'-P energy: -70.326 tors. eta vs tors. theta energy: -111.609 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: 5, replica: 8 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -1357.690746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.690746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.690746 (E_RNA) where: Base-Base interactions energy: -939.107 where: short stacking energy: -402.003 Base-Backbone interact. energy: -0.195 local terms energy: -418.388852 where: bonds (distance) C4'-P energy: -73.519 bonds (distance) P-C4' energy: -80.898 flat angles C4'-P-C4' energy: -99.719 flat angles P-C4'-P energy: -61.258 tors. eta vs tors. theta energy: -102.995 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: 6, replica: 1 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -1282.702162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1282.702162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1282.702162 (E_RNA) where: Base-Base interactions energy: -890.376 where: short stacking energy: -398.374 Base-Backbone interact. energy: -2.802 local terms energy: -389.524638 where: bonds (distance) C4'-P energy: -78.136 bonds (distance) P-C4' energy: -83.832 flat angles C4'-P-C4' energy: -94.708 flat angles P-C4'-P energy: -53.813 tors. eta vs tors. theta energy: -79.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -1223.210382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.210382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.210382 (E_RNA) where: Base-Base interactions energy: -839.969 where: short stacking energy: -362.941 Base-Backbone interact. energy: 2.181 local terms energy: -385.422495 where: bonds (distance) C4'-P energy: -61.782 bonds (distance) P-C4' energy: -86.940 flat angles C4'-P-C4' energy: -94.719 flat angles P-C4'-P energy: -56.255 tors. eta vs tors. theta energy: -85.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -977.495444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.495444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.495444 (E_RNA) where: Base-Base interactions energy: -617.112 where: short stacking energy: -286.336 Base-Backbone interact. energy: 0.458 local terms energy: -360.841067 where: bonds (distance) C4'-P energy: -72.788 bonds (distance) P-C4' energy: -88.633 flat angles C4'-P-C4' energy: -76.154 flat angles P-C4'-P energy: -73.121 tors. eta vs tors. theta energy: -50.145 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: 10 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -945.661065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.661065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.661065 (E_RNA) where: Base-Base interactions energy: -594.780 where: short stacking energy: -295.791 Base-Backbone interact. energy: -1.509 local terms energy: -349.372386 where: bonds (distance) C4'-P energy: -68.201 bonds (distance) P-C4' energy: -84.179 flat angles C4'-P-C4' energy: -92.175 flat angles P-C4'-P energy: -51.015 tors. eta vs tors. theta energy: -53.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -599.319211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.319211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.319211 (E_RNA) where: Base-Base interactions energy: -314.293 where: short stacking energy: -182.136 Base-Backbone interact. energy: -1.350 local terms energy: -283.675531 where: bonds (distance) C4'-P energy: -64.180 bonds (distance) P-C4' energy: -80.952 flat angles C4'-P-C4' energy: -76.401 flat angles P-C4'-P energy: -47.889 tors. eta vs tors. theta energy: -14.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1622.077037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.077037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.077037 (E_RNA) where: Base-Base interactions energy: -1117.322 where: short stacking energy: -489.311 Base-Backbone interact. energy: -2.421 local terms energy: -502.334231 where: bonds (distance) C4'-P energy: -95.246 bonds (distance) P-C4' energy: -101.234 flat angles C4'-P-C4' energy: -103.165 flat angles P-C4'-P energy: -76.646 tors. eta vs tors. theta energy: -126.043 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: 4 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1608.789936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.789936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.789936 (E_RNA) where: Base-Base interactions energy: -1097.752 where: short stacking energy: -496.631 Base-Backbone interact. energy: -1.171 local terms energy: -509.866679 where: bonds (distance) C4'-P energy: -94.257 bonds (distance) P-C4' energy: -94.858 flat angles C4'-P-C4' energy: -118.680 flat angles P-C4'-P energy: -60.622 tors. eta vs tors. theta energy: -141.449 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: 7 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1548.738507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.738507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.738507 (E_RNA) where: Base-Base interactions energy: -1063.711 where: short stacking energy: -441.819 Base-Backbone interact. energy: -3.300 local terms energy: -481.727669 where: bonds (distance) C4'-P energy: -95.120 bonds (distance) P-C4' energy: -104.426 flat angles C4'-P-C4' energy: -101.836 flat angles P-C4'-P energy: -63.845 tors. eta vs tors. theta energy: -116.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -1419.449834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.449834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.449834 (E_RNA) where: Base-Base interactions energy: -940.312 where: short stacking energy: -392.859 Base-Backbone interact. energy: 1.120 local terms energy: -480.258404 where: bonds (distance) C4'-P energy: -95.218 bonds (distance) P-C4' energy: -98.543 flat angles C4'-P-C4' energy: -106.350 flat angles P-C4'-P energy: -72.671 tors. eta vs tors. theta energy: -107.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -1333.241155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.241155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.241155 (E_RNA) where: Base-Base interactions energy: -894.276 where: short stacking energy: -401.565 Base-Backbone interact. energy: -0.543 local terms energy: -438.422085 where: bonds (distance) C4'-P energy: -70.419 bonds (distance) P-C4' energy: -91.860 flat angles C4'-P-C4' energy: -95.632 flat angles P-C4'-P energy: -67.092 tors. eta vs tors. theta energy: -113.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -1269.865705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.865705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.865705 (E_RNA) where: Base-Base interactions energy: -831.906 where: short stacking energy: -372.100 Base-Backbone interact. energy: -1.765 local terms energy: -436.195082 where: bonds (distance) C4'-P energy: -88.061 bonds (distance) P-C4' energy: -96.608 flat angles C4'-P-C4' energy: -96.700 flat angles P-C4'-P energy: -57.828 tors. eta vs tors. theta energy: -96.999 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: 5 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -1231.595217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.595217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.595217 (E_RNA) where: Base-Base interactions energy: -835.753 where: short stacking energy: -354.535 Base-Backbone interact. energy: -0.340 local terms energy: -395.502410 where: bonds (distance) C4'-P energy: -67.045 bonds (distance) P-C4' energy: -95.586 flat angles C4'-P-C4' energy: -90.210 flat angles P-C4'-P energy: -59.425 tors. eta vs tors. theta energy: -83.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -929.875818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.875818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.875818 (E_RNA) where: Base-Base interactions energy: -596.378 where: short stacking energy: -285.607 Base-Backbone interact. energy: 2.891 local terms energy: -336.388533 where: bonds (distance) C4'-P energy: -78.444 bonds (distance) P-C4' energy: -77.448 flat angles C4'-P-C4' energy: -87.340 flat angles P-C4'-P energy: -49.048 tors. eta vs tors. theta energy: -44.110 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: 2 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -885.217796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.217796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.217796 (E_RNA) where: Base-Base interactions energy: -589.101 where: short stacking energy: -285.802 Base-Backbone interact. energy: 0.784 local terms energy: -296.901037 where: bonds (distance) C4'-P energy: -62.922 bonds (distance) P-C4' energy: -71.356 flat angles C4'-P-C4' energy: -82.787 flat angles P-C4'-P energy: -30.659 tors. eta vs tors. theta energy: -49.178 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: 6 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -549.474291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.474291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.474291 (E_RNA) where: Base-Base interactions energy: -288.153 where: short stacking energy: -167.649 Base-Backbone interact. energy: 7.807 local terms energy: -269.128898 where: bonds (distance) C4'-P energy: -66.735 bonds (distance) P-C4' energy: -82.895 flat angles C4'-P-C4' energy: -79.015 flat angles P-C4'-P energy: -38.006 tors. eta vs tors. theta energy: -2.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1645.745568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.745568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.745568 (E_RNA) where: Base-Base interactions energy: -1123.683 where: short stacking energy: -488.651 Base-Backbone interact. energy: -0.662 local terms energy: -521.400469 where: bonds (distance) C4'-P energy: -97.879 bonds (distance) P-C4' energy: -100.349 flat angles C4'-P-C4' energy: -102.027 flat angles P-C4'-P energy: -79.343 tors. eta vs tors. theta energy: -141.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1592.644714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.644714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.644714 (E_RNA) where: Base-Base interactions energy: -1093.602 where: short stacking energy: -476.064 Base-Backbone interact. energy: -3.533 local terms energy: -495.509350 where: bonds (distance) C4'-P energy: -92.195 bonds (distance) P-C4' energy: -85.696 flat angles C4'-P-C4' energy: -110.377 flat angles P-C4'-P energy: -79.317 tors. eta vs tors. theta energy: -127.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -1564.022386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.022386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.022386 (E_RNA) where: Base-Base interactions energy: -1085.919 where: short stacking energy: -441.191 Base-Backbone interact. energy: 3.291 local terms energy: -481.394424 where: bonds (distance) C4'-P energy: -83.265 bonds (distance) P-C4' energy: -96.827 flat angles C4'-P-C4' energy: -108.749 flat angles P-C4'-P energy: -72.884 tors. eta vs tors. theta energy: -119.669 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: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -1428.443375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.443375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.443375 (E_RNA) where: Base-Base interactions energy: -973.649 where: short stacking energy: -410.484 Base-Backbone interact. energy: 1.772 local terms energy: -456.567011 where: bonds (distance) C4'-P energy: -89.128 bonds (distance) P-C4' energy: -90.110 flat angles C4'-P-C4' energy: -111.171 flat angles P-C4'-P energy: -65.489 tors. eta vs tors. theta energy: -100.670 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: 8 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -1375.159628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.159628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.159628 (E_RNA) where: Base-Base interactions energy: -947.737 where: short stacking energy: -391.660 Base-Backbone interact. energy: -0.275 local terms energy: -427.146937 where: bonds (distance) C4'-P energy: -87.444 bonds (distance) P-C4' energy: -86.408 flat angles C4'-P-C4' energy: -94.863 flat angles P-C4'-P energy: -55.939 tors. eta vs tors. theta energy: -102.493 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: 54 Temperature: 1.150000 Total energy: -1244.717865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.717865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.717865 (E_RNA) where: Base-Base interactions energy: -837.805 where: short stacking energy: -364.511 Base-Backbone interact. energy: 0.508 local terms energy: -407.420847 where: bonds (distance) C4'-P energy: -97.858 bonds (distance) P-C4' energy: -87.138 flat angles C4'-P-C4' energy: -82.497 flat angles P-C4'-P energy: -58.673 tors. eta vs tors. theta energy: -81.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -1162.720359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.720359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.720359 (E_RNA) where: Base-Base interactions energy: -768.122 where: short stacking energy: -321.631 Base-Backbone interact. energy: 0.275 local terms energy: -394.873606 where: bonds (distance) C4'-P energy: -84.049 bonds (distance) P-C4' energy: -90.986 flat angles C4'-P-C4' energy: -82.830 flat angles P-C4'-P energy: -47.051 tors. eta vs tors. theta energy: -89.957 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: 8, replica: 10 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -935.296445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.296445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.296445 (E_RNA) where: Base-Base interactions energy: -584.935 where: short stacking energy: -269.506 Base-Backbone interact. energy: -1.941 local terms energy: -348.420593 where: bonds (distance) C4'-P energy: -95.388 bonds (distance) P-C4' energy: -79.140 flat angles C4'-P-C4' energy: -79.918 flat angles P-C4'-P energy: -46.943 tors. eta vs tors. theta energy: -47.032 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: 9, replica: 2 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -735.400309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.400309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.400309 (E_RNA) where: Base-Base interactions energy: -452.782 where: short stacking energy: -232.817 Base-Backbone interact. energy: 2.810 local terms energy: -285.428252 where: bonds (distance) C4'-P energy: -73.488 bonds (distance) P-C4' energy: -70.068 flat angles C4'-P-C4' energy: -74.950 flat angles P-C4'-P energy: -46.105 tors. eta vs tors. theta energy: -20.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -556.937136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.937136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.937136 (E_RNA) where: Base-Base interactions energy: -276.370 where: short stacking energy: -154.310 Base-Backbone interact. energy: 2.354 local terms energy: -282.920762 where: bonds (distance) C4'-P energy: -78.171 bonds (distance) P-C4' energy: -86.724 flat angles C4'-P-C4' energy: -72.126 flat angles P-C4'-P energy: -53.323 tors. eta vs tors. theta energy: 7.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1648.077236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.077236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.077236 (E_RNA) where: Base-Base interactions energy: -1133.171 where: short stacking energy: -526.301 Base-Backbone interact. energy: -1.737 local terms energy: -513.169408 where: bonds (distance) C4'-P energy: -95.316 bonds (distance) P-C4' energy: -94.911 flat angles C4'-P-C4' energy: -116.616 flat angles P-C4'-P energy: -65.304 tors. eta vs tors. theta energy: -141.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1611.619060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.619060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.619060 (E_RNA) where: Base-Base interactions energy: -1082.931 where: short stacking energy: -500.773 Base-Backbone interact. energy: 3.507 local terms energy: -532.194843 where: bonds (distance) C4'-P energy: -103.559 bonds (distance) P-C4' energy: -92.529 flat angles C4'-P-C4' energy: -118.964 flat angles P-C4'-P energy: -71.679 tors. eta vs tors. theta energy: -145.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -1536.100675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.100675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.100675 (E_RNA) where: Base-Base interactions energy: -1071.612 where: short stacking energy: -447.517 Base-Backbone interact. energy: -1.422 local terms energy: -463.066467 where: bonds (distance) C4'-P energy: -78.658 bonds (distance) P-C4' energy: -97.805 flat angles C4'-P-C4' energy: -99.655 flat angles P-C4'-P energy: -72.627 tors. eta vs tors. theta energy: -114.322 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: 4, replica: 8 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -1409.253772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.253772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.253772 (E_RNA) where: Base-Base interactions energy: -944.469 where: short stacking energy: -411.193 Base-Backbone interact. energy: -3.153 local terms energy: -461.632177 where: bonds (distance) C4'-P energy: -83.090 bonds (distance) P-C4' energy: -85.971 flat angles C4'-P-C4' energy: -107.136 flat angles P-C4'-P energy: -74.908 tors. eta vs tors. theta energy: -110.528 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: 3 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -1323.631380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.631380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.631380 (E_RNA) where: Base-Base interactions energy: -898.933 where: short stacking energy: -376.623 Base-Backbone interact. energy: -2.767 local terms energy: -421.932000 where: bonds (distance) C4'-P energy: -87.643 bonds (distance) P-C4' energy: -84.150 flat angles C4'-P-C4' energy: -90.917 flat angles P-C4'-P energy: -63.005 tors. eta vs tors. theta energy: -96.217 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: 6, replica: 5 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -1296.831500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.831500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.831500 (E_RNA) where: Base-Base interactions energy: -909.218 where: short stacking energy: -358.413 Base-Backbone interact. energy: 1.176 local terms energy: -388.789720 where: bonds (distance) C4'-P energy: -80.743 bonds (distance) P-C4' energy: -87.175 flat angles C4'-P-C4' energy: -91.681 flat angles P-C4'-P energy: -49.519 tors. eta vs tors. theta energy: -79.673 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: 1 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -1225.053483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.053483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.053483 (E_RNA) where: Base-Base interactions energy: -821.021 where: short stacking energy: -359.019 Base-Backbone interact. energy: -0.906 local terms energy: -403.126538 where: bonds (distance) C4'-P energy: -74.368 bonds (distance) P-C4' energy: -86.406 flat angles C4'-P-C4' energy: -92.404 flat angles P-C4'-P energy: -60.300 tors. eta vs tors. theta energy: -89.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -951.999625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.999625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.999625 (E_RNA) where: Base-Base interactions energy: -613.454 where: short stacking energy: -262.389 Base-Backbone interact. energy: -0.709 local terms energy: -337.836426 where: bonds (distance) C4'-P energy: -75.759 bonds (distance) P-C4' energy: -86.341 flat angles C4'-P-C4' energy: -75.899 flat angles P-C4'-P energy: -47.619 tors. eta vs tors. theta energy: -52.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -747.868872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.868872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.868872 (E_RNA) where: Base-Base interactions energy: -434.561 where: short stacking energy: -225.840 Base-Backbone interact. energy: -1.048 local terms energy: -312.259293 where: bonds (distance) C4'-P energy: -88.136 bonds (distance) P-C4' energy: -71.579 flat angles C4'-P-C4' energy: -78.070 flat angles P-C4'-P energy: -38.517 tors. eta vs tors. theta energy: -35.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -439.153335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.153335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.153335 (E_RNA) where: Base-Base interactions energy: -185.624 where: short stacking energy: -126.625 Base-Backbone interact. energy: 8.436 local terms energy: -261.965537 where: bonds (distance) C4'-P energy: -83.311 bonds (distance) P-C4' energy: -82.561 flat angles C4'-P-C4' energy: -63.467 flat angles P-C4'-P energy: -42.154 tors. eta vs tors. theta energy: 9.527 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: 1, replica: 9 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1672.221297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.221297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.221297 (E_RNA) where: Base-Base interactions energy: -1139.071 where: short stacking energy: -522.593 Base-Backbone interact. energy: 0.237 local terms energy: -533.387120 where: bonds (distance) C4'-P energy: -102.129 bonds (distance) P-C4' energy: -102.844 flat angles C4'-P-C4' energy: -108.669 flat angles P-C4'-P energy: -75.335 tors. eta vs tors. theta energy: -144.411 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: 4 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1600.491749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.491749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.491749 (E_RNA) where: Base-Base interactions energy: -1076.815 where: short stacking energy: -493.098 Base-Backbone interact. energy: -1.922 local terms energy: -521.754804 where: bonds (distance) C4'-P energy: -104.076 bonds (distance) P-C4' energy: -92.574 flat angles C4'-P-C4' energy: -106.371 flat angles P-C4'-P energy: -89.698 tors. eta vs tors. theta energy: -129.036 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: 56 Temperature: 1.000000 Total energy: -1537.779347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.779347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.779347 (E_RNA) where: Base-Base interactions energy: -1067.500 where: short stacking energy: -463.133 Base-Backbone interact. energy: 1.473 local terms energy: -471.751930 where: bonds (distance) C4'-P energy: -92.970 bonds (distance) P-C4' energy: -82.330 flat angles C4'-P-C4' energy: -107.503 flat angles P-C4'-P energy: -64.076 tors. eta vs tors. theta energy: -124.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -1397.698210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.698210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.698210 (E_RNA) where: Base-Base interactions energy: -939.875 where: short stacking energy: -408.366 Base-Backbone interact. energy: 3.842 local terms energy: -461.665265 where: bonds (distance) C4'-P energy: -91.899 bonds (distance) P-C4' energy: -88.129 flat angles C4'-P-C4' energy: -105.813 flat angles P-C4'-P energy: -75.335 tors. eta vs tors. theta energy: -100.490 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: 3 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -1331.405944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.405944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.405944 (E_RNA) where: Base-Base interactions energy: -899.029 where: short stacking energy: -378.934 Base-Backbone interact. energy: -2.531 local terms energy: -429.846004 where: bonds (distance) C4'-P energy: -93.501 bonds (distance) P-C4' energy: -88.337 flat angles C4'-P-C4' energy: -81.839 flat angles P-C4'-P energy: -67.200 tors. eta vs tors. theta energy: -98.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -1312.198015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.198015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.198015 (E_RNA) where: Base-Base interactions energy: -908.473 where: short stacking energy: -381.530 Base-Backbone interact. energy: -0.460 local terms energy: -403.265056 where: bonds (distance) C4'-P energy: -86.616 bonds (distance) P-C4' energy: -65.072 flat angles C4'-P-C4' energy: -94.354 flat angles P-C4'-P energy: -63.791 tors. eta vs tors. theta energy: -93.432 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: 1 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -1269.424238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.424238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.424238 (E_RNA) where: Base-Base interactions energy: -888.633 where: short stacking energy: -378.230 Base-Backbone interact. energy: -1.045 local terms energy: -379.746494 where: bonds (distance) C4'-P energy: -81.017 bonds (distance) P-C4' energy: -82.946 flat angles C4'-P-C4' energy: -79.426 flat angles P-C4'-P energy: -49.039 tors. eta vs tors. theta energy: -87.319 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: 8, replica: 10 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -940.908446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.908446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.908446 (E_RNA) where: Base-Base interactions energy: -567.564 where: short stacking energy: -275.755 Base-Backbone interact. energy: 1.309 local terms energy: -374.653946 where: bonds (distance) C4'-P energy: -79.022 bonds (distance) P-C4' energy: -86.452 flat angles C4'-P-C4' energy: -98.862 flat angles P-C4'-P energy: -56.121 tors. eta vs tors. theta energy: -54.197 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: 2 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -692.686813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.686813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.686813 (E_RNA) where: Base-Base interactions energy: -385.181 where: short stacking energy: -193.355 Base-Backbone interact. energy: -1.779 local terms energy: -305.726750 where: bonds (distance) C4'-P energy: -82.975 bonds (distance) P-C4' energy: -86.252 flat angles C4'-P-C4' energy: -75.884 flat angles P-C4'-P energy: -35.749 tors. eta vs tors. theta energy: -24.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -462.911413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.911413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.911413 (E_RNA) where: Base-Base interactions energy: -208.710 where: short stacking energy: -152.620 Base-Backbone interact. energy: -0.679 local terms energy: -253.523230 where: bonds (distance) C4'-P energy: -78.662 bonds (distance) P-C4' energy: -86.201 flat angles C4'-P-C4' energy: -58.916 flat angles P-C4'-P energy: -38.175 tors. eta vs tors. theta energy: 8.431 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: 9 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1669.112398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.112398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.112398 (E_RNA) where: Base-Base interactions energy: -1141.287 where: short stacking energy: -507.803 Base-Backbone interact. energy: -1.032 local terms energy: -526.793027 where: bonds (distance) C4'-P energy: -98.439 bonds (distance) P-C4' energy: -105.461 flat angles C4'-P-C4' energy: -108.391 flat angles P-C4'-P energy: -70.453 tors. eta vs tors. theta energy: -144.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1605.445111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.445111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.445111 (E_RNA) where: Base-Base interactions energy: -1090.326 where: short stacking energy: -479.679 Base-Backbone interact. energy: -0.808 local terms energy: -514.310851 where: bonds (distance) C4'-P energy: -101.627 bonds (distance) P-C4' energy: -97.476 flat angles C4'-P-C4' energy: -107.490 flat angles P-C4'-P energy: -69.340 tors. eta vs tors. theta energy: -138.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -1543.887003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.887003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.887003 (E_RNA) where: Base-Base interactions energy: -1067.269 where: short stacking energy: -466.467 Base-Backbone interact. energy: -1.570 local terms energy: -475.048600 where: bonds (distance) C4'-P energy: -90.115 bonds (distance) P-C4' energy: -89.059 flat angles C4'-P-C4' energy: -103.360 flat angles P-C4'-P energy: -66.895 tors. eta vs tors. theta energy: -125.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -1393.202252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.202252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.202252 (E_RNA) where: Base-Base interactions energy: -927.147 where: short stacking energy: -406.125 Base-Backbone interact. energy: -1.979 local terms energy: -464.075535 where: bonds (distance) C4'-P energy: -80.992 bonds (distance) P-C4' energy: -102.449 flat angles C4'-P-C4' energy: -91.715 flat angles P-C4'-P energy: -76.861 tors. eta vs tors. theta energy: -112.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -1331.702496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.702496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.702496 (E_RNA) where: Base-Base interactions energy: -909.002 where: short stacking energy: -395.604 Base-Backbone interact. energy: 1.318 local terms energy: -424.018573 where: bonds (distance) C4'-P energy: -89.748 bonds (distance) P-C4' energy: -83.041 flat angles C4'-P-C4' energy: -96.785 flat angles P-C4'-P energy: -64.890 tors. eta vs tors. theta energy: -89.555 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: 1 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -1349.367708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.367708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.367708 (E_RNA) where: Base-Base interactions energy: -905.954 where: short stacking energy: -370.673 Base-Backbone interact. energy: 0.126 local terms energy: -443.538780 where: bonds (distance) C4'-P energy: -80.292 bonds (distance) P-C4' energy: -92.276 flat angles C4'-P-C4' energy: -105.833 flat angles P-C4'-P energy: -70.175 tors. eta vs tors. theta energy: -94.962 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: 5 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -1252.169993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.169993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.169993 (E_RNA) where: Base-Base interactions energy: -852.539 where: short stacking energy: -360.029 Base-Backbone interact. energy: -1.202 local terms energy: -398.429016 where: bonds (distance) C4'-P energy: -69.740 bonds (distance) P-C4' energy: -98.162 flat angles C4'-P-C4' energy: -75.848 flat angles P-C4'-P energy: -62.803 tors. eta vs tors. theta energy: -91.876 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: 57 Temperature: 1.250000 Total energy: -959.790254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.790254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.790254 (E_RNA) where: Base-Base interactions energy: -613.813 where: short stacking energy: -273.058 Base-Backbone interact. energy: -0.185 local terms energy: -345.791725 where: bonds (distance) C4'-P energy: -90.109 bonds (distance) P-C4' energy: -89.101 flat angles C4'-P-C4' energy: -78.317 flat angles P-C4'-P energy: -50.293 tors. eta vs tors. theta energy: -37.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -778.447379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.447379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.447379 (E_RNA) where: Base-Base interactions energy: -454.829 where: short stacking energy: -234.218 Base-Backbone interact. energy: -5.064 local terms energy: -318.554676 where: bonds (distance) C4'-P energy: -71.324 bonds (distance) P-C4' energy: -86.039 flat angles C4'-P-C4' energy: -79.934 flat angles P-C4'-P energy: -48.992 tors. eta vs tors. theta energy: -32.265 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: 6 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -501.126698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.126698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.126698 (E_RNA) where: Base-Base interactions energy: -234.593 where: short stacking energy: -135.787 Base-Backbone interact. energy: 3.854 local terms energy: -270.387590 where: bonds (distance) C4'-P energy: -89.278 bonds (distance) P-C4' energy: -73.734 flat angles C4'-P-C4' energy: -64.522 flat angles P-C4'-P energy: -43.432 tors. eta vs tors. theta energy: 0.579 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: 9 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1640.608374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.608374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.608374 (E_RNA) where: Base-Base interactions energy: -1126.800 where: short stacking energy: -495.762 Base-Backbone interact. energy: -0.595 local terms energy: -513.213671 where: bonds (distance) C4'-P energy: -98.764 bonds (distance) P-C4' energy: -95.452 flat angles C4'-P-C4' energy: -111.058 flat angles P-C4'-P energy: -80.547 tors. eta vs tors. theta energy: -127.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1602.536928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.536928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.536928 (E_RNA) where: Base-Base interactions energy: -1106.310 where: short stacking energy: -485.446 Base-Backbone interact. energy: -0.175 local terms energy: -496.052022 where: bonds (distance) C4'-P energy: -94.817 bonds (distance) P-C4' energy: -94.850 flat angles C4'-P-C4' energy: -107.458 flat angles P-C4'-P energy: -70.186 tors. eta vs tors. theta energy: -128.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1565.864766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.864766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.864766 (E_RNA) where: Base-Base interactions energy: -1102.310 where: short stacking energy: -462.507 Base-Backbone interact. energy: -2.743 local terms energy: -460.811931 where: bonds (distance) C4'-P energy: -85.287 bonds (distance) P-C4' energy: -96.158 flat angles C4'-P-C4' energy: -89.825 flat angles P-C4'-P energy: -65.834 tors. eta vs tors. theta energy: -123.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -1408.288364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.288364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.288364 (E_RNA) where: Base-Base interactions energy: -959.463 where: short stacking energy: -413.032 Base-Backbone interact. energy: -1.779 local terms energy: -447.046594 where: bonds (distance) C4'-P energy: -85.044 bonds (distance) P-C4' energy: -84.788 flat angles C4'-P-C4' energy: -101.402 flat angles P-C4'-P energy: -65.882 tors. eta vs tors. theta energy: -109.930 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: 1 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -1403.213111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.213111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.213111 (E_RNA) where: Base-Base interactions energy: -940.579 where: short stacking energy: -425.240 Base-Backbone interact. energy: -1.606 local terms energy: -461.027432 where: bonds (distance) C4'-P energy: -85.783 bonds (distance) P-C4' energy: -101.822 flat angles C4'-P-C4' energy: -105.675 flat angles P-C4'-P energy: -58.049 tors. eta vs tors. theta energy: -109.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -1318.089843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.089843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.089843 (E_RNA) where: Base-Base interactions energy: -922.712 where: short stacking energy: -383.796 Base-Backbone interact. energy: -2.077 local terms energy: -393.300324 where: bonds (distance) C4'-P energy: -82.094 bonds (distance) P-C4' energy: -77.540 flat angles C4'-P-C4' energy: -92.115 flat angles P-C4'-P energy: -55.783 tors. eta vs tors. theta energy: -85.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -1236.876674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.876674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.876674 (E_RNA) where: Base-Base interactions energy: -828.297 where: short stacking energy: -364.386 Base-Backbone interact. energy: -2.190 local terms energy: -406.389572 where: bonds (distance) C4'-P energy: -77.321 bonds (distance) P-C4' energy: -78.189 flat angles C4'-P-C4' energy: -96.122 flat angles P-C4'-P energy: -59.658 tors. eta vs tors. theta energy: -95.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -962.447530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.447530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.447530 (E_RNA) where: Base-Base interactions energy: -577.578 where: short stacking energy: -297.813 Base-Backbone interact. energy: 0.787 local terms energy: -385.656390 where: bonds (distance) C4'-P energy: -71.275 bonds (distance) P-C4' energy: -103.805 flat angles C4'-P-C4' energy: -85.616 flat angles P-C4'-P energy: -55.325 tors. eta vs tors. theta energy: -69.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -745.565986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.565986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.565986 (E_RNA) where: Base-Base interactions energy: -440.984 where: short stacking energy: -214.418 Base-Backbone interact. energy: -0.211 local terms energy: -304.371607 where: bonds (distance) C4'-P energy: -83.146 bonds (distance) P-C4' energy: -94.190 flat angles C4'-P-C4' energy: -74.291 flat angles P-C4'-P energy: -47.331 tors. eta vs tors. theta energy: -5.414 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: 6 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -499.035284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.035284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.035284 (E_RNA) where: Base-Base interactions energy: -240.643 where: short stacking energy: -154.426 Base-Backbone interact. energy: 0.454 local terms energy: -258.846275 where: bonds (distance) C4'-P energy: -86.537 bonds (distance) P-C4' energy: -73.064 flat angles C4'-P-C4' energy: -67.565 flat angles P-C4'-P energy: -28.451 tors. eta vs tors. theta energy: -3.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1629.291171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.291171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.291171 (E_RNA) where: Base-Base interactions energy: -1109.070 where: short stacking energy: -504.018 Base-Backbone interact. energy: -1.610 local terms energy: -518.611243 where: bonds (distance) C4'-P energy: -91.532 bonds (distance) P-C4' energy: -106.070 flat angles C4'-P-C4' energy: -109.273 flat angles P-C4'-P energy: -73.129 tors. eta vs tors. theta energy: -138.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1587.592176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.592176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.592176 (E_RNA) where: Base-Base interactions energy: -1067.160 where: short stacking energy: -494.648 Base-Backbone interact. energy: -1.763 local terms energy: -518.668977 where: bonds (distance) C4'-P energy: -92.314 bonds (distance) P-C4' energy: -98.467 flat angles C4'-P-C4' energy: -110.899 flat angles P-C4'-P energy: -67.092 tors. eta vs tors. theta energy: -149.897 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: 7 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -1557.369680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.369680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.369680 (E_RNA) where: Base-Base interactions energy: -1099.178 where: short stacking energy: -440.523 Base-Backbone interact. energy: -1.478 local terms energy: -456.713507 where: bonds (distance) C4'-P energy: -92.557 bonds (distance) P-C4' energy: -92.904 flat angles C4'-P-C4' energy: -96.390 flat angles P-C4'-P energy: -69.391 tors. eta vs tors. theta energy: -105.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -1450.493376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.493376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.493376 (E_RNA) where: Base-Base interactions energy: -979.971 where: short stacking energy: -439.617 Base-Backbone interact. energy: -0.142 local terms energy: -470.380758 where: bonds (distance) C4'-P energy: -94.566 bonds (distance) P-C4' energy: -91.628 flat angles C4'-P-C4' energy: -95.319 flat angles P-C4'-P energy: -70.454 tors. eta vs tors. theta energy: -118.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -1363.599186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.599186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.599186 (E_RNA) where: Base-Base interactions energy: -918.316 where: short stacking energy: -410.845 Base-Backbone interact. energy: 0.708 local terms energy: -445.991204 where: bonds (distance) C4'-P energy: -86.299 bonds (distance) P-C4' energy: -83.754 flat angles C4'-P-C4' energy: -102.561 flat angles P-C4'-P energy: -57.204 tors. eta vs tors. theta energy: -116.173 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: 6, replica: 5 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -1277.202789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.202789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.202789 (E_RNA) where: Base-Base interactions energy: -851.697 where: short stacking energy: -378.059 Base-Backbone interact. energy: -2.222 local terms energy: -423.284205 where: bonds (distance) C4'-P energy: -87.751 bonds (distance) P-C4' energy: -83.495 flat angles C4'-P-C4' energy: -105.441 flat angles P-C4'-P energy: -51.385 tors. eta vs tors. theta energy: -95.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -1211.825311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.825311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.825311 (E_RNA) where: Base-Base interactions energy: -828.431 where: short stacking energy: -358.938 Base-Backbone interact. energy: -1.413 local terms energy: -381.981390 where: bonds (distance) C4'-P energy: -69.061 bonds (distance) P-C4' energy: -80.627 flat angles C4'-P-C4' energy: -94.267 flat angles P-C4'-P energy: -69.016 tors. eta vs tors. theta energy: -69.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -998.001831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.001831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.001831 (E_RNA) where: Base-Base interactions energy: -657.226 where: short stacking energy: -295.297 Base-Backbone interact. energy: -1.195 local terms energy: -339.580257 where: bonds (distance) C4'-P energy: -76.416 bonds (distance) P-C4' energy: -85.897 flat angles C4'-P-C4' energy: -83.307 flat angles P-C4'-P energy: -46.869 tors. eta vs tors. theta energy: -47.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -687.955272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.955272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.955272 (E_RNA) where: Base-Base interactions energy: -401.877 where: short stacking energy: -187.909 Base-Backbone interact. energy: -0.251 local terms energy: -285.827176 where: bonds (distance) C4'-P energy: -75.387 bonds (distance) P-C4' energy: -79.325 flat angles C4'-P-C4' energy: -72.431 flat angles P-C4'-P energy: -48.612 tors. eta vs tors. theta energy: -10.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -499.550772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.550772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.550772 (E_RNA) where: Base-Base interactions energy: -238.727 where: short stacking energy: -141.443 Base-Backbone interact. energy: 4.954 local terms energy: -265.778615 where: bonds (distance) C4'-P energy: -87.670 bonds (distance) P-C4' energy: -84.981 flat angles C4'-P-C4' energy: -55.214 flat angles P-C4'-P energy: -43.662 tors. eta vs tors. theta energy: 5.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1631.733572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.733572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.733572 (E_RNA) where: Base-Base interactions energy: -1127.433 where: short stacking energy: -511.559 Base-Backbone interact. energy: -1.998 local terms energy: -502.301851 where: bonds (distance) C4'-P energy: -101.322 bonds (distance) P-C4' energy: -100.618 flat angles C4'-P-C4' energy: -103.337 flat angles P-C4'-P energy: -67.039 tors. eta vs tors. theta energy: -129.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1601.215518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.215518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.215518 (E_RNA) where: Base-Base interactions energy: -1086.367 where: short stacking energy: -492.537 Base-Backbone interact. energy: -1.411 local terms energy: -513.437099 where: bonds (distance) C4'-P energy: -105.247 bonds (distance) P-C4' energy: -90.282 flat angles C4'-P-C4' energy: -108.321 flat angles P-C4'-P energy: -72.387 tors. eta vs tors. theta energy: -137.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1527.919434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.919434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.919434 (E_RNA) where: Base-Base interactions energy: -1064.158 where: short stacking energy: -438.357 Base-Backbone interact. energy: -3.578 local terms energy: -460.183413 where: bonds (distance) C4'-P energy: -95.203 bonds (distance) P-C4' energy: -104.182 flat angles C4'-P-C4' energy: -90.408 flat angles P-C4'-P energy: -58.019 tors. eta vs tors. theta energy: -112.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -1408.779804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.779804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.779804 (E_RNA) where: Base-Base interactions energy: -943.300 where: short stacking energy: -437.599 Base-Backbone interact. energy: 1.765 local terms energy: -467.244392 where: bonds (distance) C4'-P energy: -83.520 bonds (distance) P-C4' energy: -102.269 flat angles C4'-P-C4' energy: -110.548 flat angles P-C4'-P energy: -55.601 tors. eta vs tors. theta energy: -115.307 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: 5 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -1402.619195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.619195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.619195 (E_RNA) where: Base-Base interactions energy: -960.060 where: short stacking energy: -419.349 Base-Backbone interact. energy: -3.055 local terms energy: -439.504037 where: bonds (distance) C4'-P energy: -74.272 bonds (distance) P-C4' energy: -93.784 flat angles C4'-P-C4' energy: -100.770 flat angles P-C4'-P energy: -56.311 tors. eta vs tors. theta energy: -114.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -1328.571692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.571692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.571692 (E_RNA) where: Base-Base interactions energy: -885.674 where: short stacking energy: -390.493 Base-Backbone interact. energy: -1.375 local terms energy: -441.522258 where: bonds (distance) C4'-P energy: -69.160 bonds (distance) P-C4' energy: -95.533 flat angles C4'-P-C4' energy: -92.802 flat angles P-C4'-P energy: -74.728 tors. eta vs tors. theta energy: -109.300 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: 3 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -1229.376663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1229.376663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1229.376663 (E_RNA) where: Base-Base interactions energy: -819.815 where: short stacking energy: -344.495 Base-Backbone interact. energy: 0.486 local terms energy: -410.048154 where: bonds (distance) C4'-P energy: -80.254 bonds (distance) P-C4' energy: -86.557 flat angles C4'-P-C4' energy: -101.109 flat angles P-C4'-P energy: -60.707 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: 8, replica: 10 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -959.461416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.461416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.461416 (E_RNA) where: Base-Base interactions energy: -659.093 where: short stacking energy: -287.793 Base-Backbone interact. energy: 4.645 local terms energy: -305.014155 where: bonds (distance) C4'-P energy: -73.046 bonds (distance) P-C4' energy: -59.233 flat angles C4'-P-C4' energy: -78.582 flat angles P-C4'-P energy: -49.421 tors. eta vs tors. theta energy: -44.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -785.998774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.998774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.998774 (E_RNA) where: Base-Base interactions energy: -495.698 where: short stacking energy: -204.697 Base-Backbone interact. energy: 6.747 local terms energy: -297.048010 where: bonds (distance) C4'-P energy: -69.099 bonds (distance) P-C4' energy: -89.824 flat angles C4'-P-C4' energy: -79.959 flat angles P-C4'-P energy: -46.351 tors. eta vs tors. theta energy: -11.815 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: 6 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -453.539844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.539844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.539844 (E_RNA) where: Base-Base interactions energy: -193.924 where: short stacking energy: -125.047 Base-Backbone interact. energy: -2.248 local terms energy: -257.367580 where: bonds (distance) C4'-P energy: -78.263 bonds (distance) P-C4' energy: -85.868 flat angles C4'-P-C4' energy: -57.410 flat angles P-C4'-P energy: -40.663 tors. eta vs tors. theta energy: 4.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1641.651298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.651298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.651298 (E_RNA) where: Base-Base interactions energy: -1132.612 where: short stacking energy: -504.227 Base-Backbone interact. energy: -1.276 local terms energy: -507.763460 where: bonds (distance) C4'-P energy: -95.175 bonds (distance) P-C4' energy: -107.794 flat angles C4'-P-C4' energy: -94.980 flat angles P-C4'-P energy: -72.741 tors. eta vs tors. theta energy: -137.073 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: 4 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1613.391249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.391249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.391249 (E_RNA) where: Base-Base interactions energy: -1076.294 where: short stacking energy: -494.613 Base-Backbone interact. energy: -2.336 local terms energy: -534.761279 where: bonds (distance) C4'-P energy: -98.080 bonds (distance) P-C4' energy: -99.425 flat angles C4'-P-C4' energy: -113.000 flat angles P-C4'-P energy: -78.300 tors. eta vs tors. theta energy: -145.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1524.774345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.774345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.774345 (E_RNA) where: Base-Base interactions energy: -1070.324 where: short stacking energy: -420.420 Base-Backbone interact. energy: -4.045 local terms energy: -450.404946 where: bonds (distance) C4'-P energy: -82.165 bonds (distance) P-C4' energy: -102.977 flat angles C4'-P-C4' energy: -92.366 flat angles P-C4'-P energy: -71.829 tors. eta vs tors. theta energy: -101.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -1429.695446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.695446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.695446 (E_RNA) where: Base-Base interactions energy: -956.637 where: short stacking energy: -415.450 Base-Backbone interact. energy: -0.341 local terms energy: -472.716868 where: bonds (distance) C4'-P energy: -81.364 bonds (distance) P-C4' energy: -99.621 flat angles C4'-P-C4' energy: -103.968 flat angles P-C4'-P energy: -76.756 tors. eta vs tors. theta energy: -111.007 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: 5 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -1417.782458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.782458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.782458 (E_RNA) where: Base-Base interactions energy: -949.126 where: short stacking energy: -410.073 Base-Backbone interact. energy: 0.049 local terms energy: -468.706009 where: bonds (distance) C4'-P energy: -92.468 bonds (distance) P-C4' energy: -96.435 flat angles C4'-P-C4' energy: -101.881 flat angles P-C4'-P energy: -64.417 tors. eta vs tors. theta energy: -113.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -1278.079004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.079004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.079004 (E_RNA) where: Base-Base interactions energy: -883.328 where: short stacking energy: -382.191 Base-Backbone interact. energy: 0.986 local terms energy: -395.736772 where: bonds (distance) C4'-P energy: -76.262 bonds (distance) P-C4' energy: -82.152 flat angles C4'-P-C4' energy: -99.780 flat angles P-C4'-P energy: -48.105 tors. eta vs tors. theta energy: -89.439 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: 3 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -1209.502657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.502657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.502657 (E_RNA) where: Base-Base interactions energy: -812.140 where: short stacking energy: -351.431 Base-Backbone interact. energy: -1.502 local terms energy: -395.860320 where: bonds (distance) C4'-P energy: -74.174 bonds (distance) P-C4' energy: -80.061 flat angles C4'-P-C4' energy: -92.079 flat angles P-C4'-P energy: -54.086 tors. eta vs tors. theta energy: -95.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -921.002914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.002914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.002914 (E_RNA) where: Base-Base interactions energy: -576.442 where: short stacking energy: -264.266 Base-Backbone interact. energy: -1.312 local terms energy: -343.248912 where: bonds (distance) C4'-P energy: -81.335 bonds (distance) P-C4' energy: -79.858 flat angles C4'-P-C4' energy: -86.325 flat angles P-C4'-P energy: -46.489 tors. eta vs tors. theta energy: -49.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -822.740904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.740904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.740904 (E_RNA) where: Base-Base interactions energy: -501.686 where: short stacking energy: -235.135 Base-Backbone interact. energy: 0.549 local terms energy: -321.603326 where: bonds (distance) C4'-P energy: -72.973 bonds (distance) P-C4' energy: -80.938 flat angles C4'-P-C4' energy: -76.987 flat angles P-C4'-P energy: -61.703 tors. eta vs tors. theta energy: -29.002 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: 61 Temperature: 1.350000 Total energy: -513.657257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.657257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.657257 (E_RNA) where: Base-Base interactions energy: -239.304 where: short stacking energy: -155.536 Base-Backbone interact. energy: 0.776 local terms energy: -275.129730 where: bonds (distance) C4'-P energy: -81.705 bonds (distance) P-C4' energy: -85.761 flat angles C4'-P-C4' energy: -73.779 flat angles P-C4'-P energy: -40.913 tors. eta vs tors. theta energy: 7.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1639.828657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.828657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.828657 (E_RNA) where: Base-Base interactions energy: -1143.190 where: short stacking energy: -484.765 Base-Backbone interact. energy: -2.236 local terms energy: -494.402615 where: bonds (distance) C4'-P energy: -91.399 bonds (distance) P-C4' energy: -104.169 flat angles C4'-P-C4' energy: -107.445 flat angles P-C4'-P energy: -70.076 tors. eta vs tors. theta energy: -121.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1607.938061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.938061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.938061 (E_RNA) where: Base-Base interactions energy: -1097.706 where: short stacking energy: -507.154 Base-Backbone interact. energy: 1.708 local terms energy: -511.940152 where: bonds (distance) C4'-P energy: -81.148 bonds (distance) P-C4' energy: -101.256 flat angles C4'-P-C4' energy: -106.912 flat angles P-C4'-P energy: -78.418 tors. eta vs tors. theta energy: -144.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -1577.528842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.528842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.528842 (E_RNA) where: Base-Base interactions energy: -1106.094 where: short stacking energy: -442.993 Base-Backbone interact. energy: -1.076 local terms energy: -470.358370 where: bonds (distance) C4'-P energy: -95.223 bonds (distance) P-C4' energy: -98.289 flat angles C4'-P-C4' energy: -100.731 flat angles P-C4'-P energy: -63.636 tors. eta vs tors. theta energy: -112.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -1425.197794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.197794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.197794 (E_RNA) where: Base-Base interactions energy: -971.865 where: short stacking energy: -434.373 Base-Backbone interact. energy: 5.261 local terms energy: -458.593689 where: bonds (distance) C4'-P energy: -74.568 bonds (distance) P-C4' energy: -96.792 flat angles C4'-P-C4' energy: -94.701 flat angles P-C4'-P energy: -73.028 tors. eta vs tors. theta energy: -119.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -1366.203755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.203755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.203755 (E_RNA) where: Base-Base interactions energy: -928.962 where: short stacking energy: -410.765 Base-Backbone interact. energy: -1.945 local terms energy: -435.296998 where: bonds (distance) C4'-P energy: -83.346 bonds (distance) P-C4' energy: -92.607 flat angles C4'-P-C4' energy: -102.514 flat angles P-C4'-P energy: -44.807 tors. eta vs tors. theta energy: -112.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -1284.906237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.906237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.906237 (E_RNA) where: Base-Base interactions energy: -854.421 where: short stacking energy: -369.479 Base-Backbone interact. energy: 0.122 local terms energy: -430.607141 where: bonds (distance) C4'-P energy: -73.293 bonds (distance) P-C4' energy: -101.300 flat angles C4'-P-C4' energy: -88.156 flat angles P-C4'-P energy: -63.923 tors. eta vs tors. theta energy: -103.934 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: 3 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -1230.795219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.795219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.795219 (E_RNA) where: Base-Base interactions energy: -825.846 where: short stacking energy: -387.015 Base-Backbone interact. energy: -0.321 local terms energy: -404.628501 where: bonds (distance) C4'-P energy: -81.633 bonds (distance) P-C4' energy: -83.970 flat angles C4'-P-C4' energy: -80.795 flat angles P-C4'-P energy: -55.960 tors. eta vs tors. theta energy: -102.271 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: 10 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -965.718979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.718979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.718979 (E_RNA) where: Base-Base interactions energy: -603.588 where: short stacking energy: -284.826 Base-Backbone interact. energy: 2.361 local terms energy: -364.492393 where: bonds (distance) C4'-P energy: -81.416 bonds (distance) P-C4' energy: -89.686 flat angles C4'-P-C4' energy: -90.668 flat angles P-C4'-P energy: -55.286 tors. eta vs tors. theta energy: -47.437 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: 2 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -791.534340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.534340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.534340 (E_RNA) where: Base-Base interactions energy: -493.062 where: short stacking energy: -228.774 Base-Backbone interact. energy: -1.377 local terms energy: -297.095048 where: bonds (distance) C4'-P energy: -77.139 bonds (distance) P-C4' energy: -98.713 flat angles C4'-P-C4' energy: -76.633 flat angles P-C4'-P energy: -24.108 tors. eta vs tors. theta energy: -20.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -514.915051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.915051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.915051 (E_RNA) where: Base-Base interactions energy: -226.479 where: short stacking energy: -144.459 Base-Backbone interact. energy: -2.338 local terms energy: -286.097537 where: bonds (distance) C4'-P energy: -76.517 bonds (distance) P-C4' energy: -92.527 flat angles C4'-P-C4' energy: -73.915 flat angles P-C4'-P energy: -30.523 tors. eta vs tors. theta energy: -12.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1638.259341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.259341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.259341 (E_RNA) where: Base-Base interactions energy: -1127.968 where: short stacking energy: -482.015 Base-Backbone interact. energy: -0.981 local terms energy: -509.310439 where: bonds (distance) C4'-P energy: -83.800 bonds (distance) P-C4' energy: -106.383 flat angles C4'-P-C4' energy: -114.281 flat angles P-C4'-P energy: -77.939 tors. eta vs tors. theta energy: -126.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1582.706755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.706755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.706755 (E_RNA) where: Base-Base interactions energy: -1077.664 where: short stacking energy: -483.611 Base-Backbone interact. energy: -0.694 local terms energy: -504.349219 where: bonds (distance) C4'-P energy: -97.450 bonds (distance) P-C4' energy: -90.554 flat angles C4'-P-C4' energy: -101.309 flat angles P-C4'-P energy: -70.958 tors. eta vs tors. theta energy: -144.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1554.008666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.008666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.008666 (E_RNA) where: Base-Base interactions energy: -1099.412 where: short stacking energy: -451.019 Base-Backbone interact. energy: -1.169 local terms energy: -453.427466 where: bonds (distance) C4'-P energy: -96.872 bonds (distance) P-C4' energy: -92.770 flat angles C4'-P-C4' energy: -94.067 flat angles P-C4'-P energy: -63.731 tors. eta vs tors. theta energy: -105.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -1449.578001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.578001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.578001 (E_RNA) where: Base-Base interactions energy: -977.237 where: short stacking energy: -451.811 Base-Backbone interact. energy: -2.839 local terms energy: -469.502386 where: bonds (distance) C4'-P energy: -88.611 bonds (distance) P-C4' energy: -90.849 flat angles C4'-P-C4' energy: -105.933 flat angles P-C4'-P energy: -64.998 tors. eta vs tors. theta energy: -119.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -1415.610325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.610325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.610325 (E_RNA) where: Base-Base interactions energy: -967.214 where: short stacking energy: -419.569 Base-Backbone interact. energy: 1.160 local terms energy: -449.556066 where: bonds (distance) C4'-P energy: -84.850 bonds (distance) P-C4' energy: -95.389 flat angles C4'-P-C4' energy: -98.321 flat angles P-C4'-P energy: -53.330 tors. eta vs tors. theta energy: -117.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -1278.669859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.669859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.669859 (E_RNA) where: Base-Base interactions energy: -860.839 where: short stacking energy: -387.493 Base-Backbone interact. energy: -1.591 local terms energy: -416.240594 where: bonds (distance) C4'-P energy: -77.667 bonds (distance) P-C4' energy: -77.862 flat angles C4'-P-C4' energy: -96.508 flat angles P-C4'-P energy: -64.728 tors. eta vs tors. theta energy: -99.475 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: 7, replica: 8 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -1200.278805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.278805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.278805 (E_RNA) where: Base-Base interactions energy: -815.671 where: short stacking energy: -362.637 Base-Backbone interact. energy: 0.592 local terms energy: -385.199769 where: bonds (distance) C4'-P energy: -69.359 bonds (distance) P-C4' energy: -77.398 flat angles C4'-P-C4' energy: -97.887 flat angles P-C4'-P energy: -53.969 tors. eta vs tors. theta energy: -86.586 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: 8, replica: 10 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -896.875440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.875440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.875440 (E_RNA) where: Base-Base interactions energy: -597.629 where: short stacking energy: -252.467 Base-Backbone interact. energy: -1.954 local terms energy: -297.292872 where: bonds (distance) C4'-P energy: -77.979 bonds (distance) P-C4' energy: -68.954 flat angles C4'-P-C4' energy: -61.418 flat angles P-C4'-P energy: -53.672 tors. eta vs tors. theta energy: -35.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -838.101118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.101118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.101118 (E_RNA) where: Base-Base interactions energy: -521.836 where: short stacking energy: -244.099 Base-Backbone interact. energy: 3.000 local terms energy: -319.265102 where: bonds (distance) C4'-P energy: -70.974 bonds (distance) P-C4' energy: -76.464 flat angles C4'-P-C4' energy: -74.780 flat angles P-C4'-P energy: -43.065 tors. eta vs tors. theta energy: -53.982 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: 10, replica: 6 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -559.104624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.104624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.104624 (E_RNA) where: Base-Base interactions energy: -270.933 where: short stacking energy: -177.807 Base-Backbone interact. energy: -2.231 local terms energy: -285.940951 where: bonds (distance) C4'-P energy: -63.846 bonds (distance) P-C4' energy: -77.873 flat angles C4'-P-C4' energy: -86.442 flat angles P-C4'-P energy: -48.321 tors. eta vs tors. theta energy: -9.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1644.213283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.213283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.213283 (E_RNA) where: Base-Base interactions energy: -1117.787 where: short stacking energy: -521.822 Base-Backbone interact. energy: -1.607 local terms energy: -524.818997 where: bonds (distance) C4'-P energy: -88.756 bonds (distance) P-C4' energy: -92.793 flat angles C4'-P-C4' energy: -116.700 flat angles P-C4'-P energy: -81.733 tors. eta vs tors. theta energy: -144.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1595.337852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.337852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.337852 (E_RNA) where: Base-Base interactions energy: -1086.700 where: short stacking energy: -448.705 Base-Backbone interact. energy: 0.375 local terms energy: -509.013385 where: bonds (distance) C4'-P energy: -100.532 bonds (distance) P-C4' energy: -99.614 flat angles C4'-P-C4' energy: -104.331 flat angles P-C4'-P energy: -87.274 tors. eta vs tors. theta energy: -117.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -1577.434797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.434797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.434797 (E_RNA) where: Base-Base interactions energy: -1105.969 where: short stacking energy: -458.045 Base-Backbone interact. energy: -1.489 local terms energy: -469.976600 where: bonds (distance) C4'-P energy: -100.979 bonds (distance) P-C4' energy: -90.427 flat angles C4'-P-C4' energy: -95.614 flat angles P-C4'-P energy: -66.996 tors. eta vs tors. theta energy: -115.960 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: 1 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -1431.099783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.099783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.099783 (E_RNA) where: Base-Base interactions energy: -965.747 where: short stacking energy: -448.573 Base-Backbone interact. energy: -0.630 local terms energy: -464.722203 where: bonds (distance) C4'-P energy: -91.181 bonds (distance) P-C4' energy: -95.693 flat angles C4'-P-C4' energy: -98.364 flat angles P-C4'-P energy: -61.999 tors. eta vs tors. theta energy: -117.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -1439.014006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.014006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.014006 (E_RNA) where: Base-Base interactions energy: -1000.871 where: short stacking energy: -439.969 Base-Backbone interact. energy: -1.192 local terms energy: -436.951509 where: bonds (distance) C4'-P energy: -89.659 bonds (distance) P-C4' energy: -82.970 flat angles C4'-P-C4' energy: -95.964 flat angles P-C4'-P energy: -59.925 tors. eta vs tors. theta energy: -108.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -1291.688383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.688383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.688383 (E_RNA) where: Base-Base interactions energy: -852.185 where: short stacking energy: -378.366 Base-Backbone interact. energy: 3.198 local terms energy: -442.700841 where: bonds (distance) C4'-P energy: -87.286 bonds (distance) P-C4' energy: -84.594 flat angles C4'-P-C4' energy: -97.348 flat angles P-C4'-P energy: -65.928 tors. eta vs tors. theta energy: -107.546 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: 8 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -1227.437617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.437617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.437617 (E_RNA) where: Base-Base interactions energy: -847.516 where: short stacking energy: -371.631 Base-Backbone interact. energy: -0.528 local terms energy: -379.393325 where: bonds (distance) C4'-P energy: -72.248 bonds (distance) P-C4' energy: -86.746 flat angles C4'-P-C4' energy: -94.140 flat angles P-C4'-P energy: -29.549 tors. eta vs tors. theta energy: -96.711 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: 10 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -941.847777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.847777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.847777 (E_RNA) where: Base-Base interactions energy: -595.760 where: short stacking energy: -290.960 Base-Backbone interact. energy: -2.193 local terms energy: -343.894880 where: bonds (distance) C4'-P energy: -88.012 bonds (distance) P-C4' energy: -89.747 flat angles C4'-P-C4' energy: -75.835 flat angles P-C4'-P energy: -48.036 tors. eta vs tors. theta energy: -42.265 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: 2 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -766.143854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.143854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.143854 (E_RNA) where: Base-Base interactions energy: -460.918 where: short stacking energy: -202.086 Base-Backbone interact. energy: 2.551 local terms energy: -307.776758 where: bonds (distance) C4'-P energy: -93.946 bonds (distance) P-C4' energy: -83.685 flat angles C4'-P-C4' energy: -67.487 flat angles P-C4'-P energy: -44.147 tors. eta vs tors. theta energy: -18.512 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: 6 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -534.840026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.840026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.840026 (E_RNA) where: Base-Base interactions energy: -265.566 where: short stacking energy: -158.476 Base-Backbone interact. energy: -3.719 local terms energy: -265.554598 where: bonds (distance) C4'-P energy: -61.688 bonds (distance) P-C4' energy: -80.590 flat angles C4'-P-C4' energy: -72.803 flat angles P-C4'-P energy: -44.058 tors. eta vs tors. theta energy: -6.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1665.921106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.921106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.921106 (E_RNA) where: Base-Base interactions energy: -1127.581 where: short stacking energy: -526.872 Base-Backbone interact. energy: 1.169 local terms energy: -539.509484 where: bonds (distance) C4'-P energy: -92.818 bonds (distance) P-C4' energy: -103.390 flat angles C4'-P-C4' energy: -111.648 flat angles P-C4'-P energy: -82.314 tors. eta vs tors. theta energy: -149.340 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: 9 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1610.445526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.445526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.445526 (E_RNA) where: Base-Base interactions energy: -1095.996 where: short stacking energy: -507.917 Base-Backbone interact. energy: -2.763 local terms energy: -511.686359 where: bonds (distance) C4'-P energy: -97.542 bonds (distance) P-C4' energy: -96.750 flat angles C4'-P-C4' energy: -114.070 flat angles P-C4'-P energy: -60.229 tors. eta vs tors. theta energy: -143.096 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: 7 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -1575.386739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.386739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.386739 (E_RNA) where: Base-Base interactions energy: -1087.998 where: short stacking energy: -458.736 Base-Backbone interact. energy: -2.160 local terms energy: -485.228353 where: bonds (distance) C4'-P energy: -94.972 bonds (distance) P-C4' energy: -98.481 flat angles C4'-P-C4' energy: -103.692 flat angles P-C4'-P energy: -64.106 tors. eta vs tors. theta energy: -123.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -1493.245858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.245858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.245858 (E_RNA) where: Base-Base interactions energy: -1025.218 where: short stacking energy: -443.155 Base-Backbone interact. energy: -2.256 local terms energy: -465.772190 where: bonds (distance) C4'-P energy: -85.710 bonds (distance) P-C4' energy: -96.252 flat angles C4'-P-C4' energy: -104.432 flat angles P-C4'-P energy: -66.381 tors. eta vs tors. theta energy: -112.996 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: 65 Temperature: 1.100000 Total energy: -1373.091241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.091241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.091241 (E_RNA) where: Base-Base interactions energy: -919.800 where: short stacking energy: -423.215 Base-Backbone interact. energy: -1.637 local terms energy: -451.654008 where: bonds (distance) C4'-P energy: -84.520 bonds (distance) P-C4' energy: -90.981 flat angles C4'-P-C4' energy: -95.056 flat angles P-C4'-P energy: -71.003 tors. eta vs tors. theta energy: -110.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -1247.988312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.988312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.988312 (E_RNA) where: Base-Base interactions energy: -841.736 where: short stacking energy: -388.418 Base-Backbone interact. energy: 2.307 local terms energy: -408.559087 where: bonds (distance) C4'-P energy: -72.998 bonds (distance) P-C4' energy: -92.570 flat angles C4'-P-C4' energy: -95.817 flat angles P-C4'-P energy: -57.458 tors. eta vs tors. theta energy: -89.716 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: 3 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -1193.105328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.105328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.105328 (E_RNA) where: Base-Base interactions energy: -782.176 where: short stacking energy: -337.774 Base-Backbone interact. energy: -2.691 local terms energy: -408.239157 where: bonds (distance) C4'-P energy: -93.339 bonds (distance) P-C4' energy: -88.014 flat angles C4'-P-C4' energy: -85.891 flat angles P-C4'-P energy: -55.534 tors. eta vs tors. theta energy: -85.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -970.166716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.166716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.166716 (E_RNA) where: Base-Base interactions energy: -611.885 where: short stacking energy: -287.388 Base-Backbone interact. energy: -1.477 local terms energy: -356.803840 where: bonds (distance) C4'-P energy: -80.001 bonds (distance) P-C4' energy: -89.108 flat angles C4'-P-C4' energy: -81.690 flat angles P-C4'-P energy: -50.617 tors. eta vs tors. theta energy: -55.389 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: 2 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -809.700252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.700252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.700252 (E_RNA) where: Base-Base interactions energy: -492.018 where: short stacking energy: -249.593 Base-Backbone interact. energy: -1.001 local terms energy: -316.681236 where: bonds (distance) C4'-P energy: -88.421 bonds (distance) P-C4' energy: -78.905 flat angles C4'-P-C4' energy: -69.997 flat angles P-C4'-P energy: -40.511 tors. eta vs tors. theta energy: -38.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -507.038503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.038503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.038503 (E_RNA) where: Base-Base interactions energy: -260.924 where: short stacking energy: -157.608 Base-Backbone interact. energy: 0.621 local terms energy: -246.735795 where: bonds (distance) C4'-P energy: -74.396 bonds (distance) P-C4' energy: -72.104 flat angles C4'-P-C4' energy: -55.781 flat angles P-C4'-P energy: -38.916 tors. eta vs tors. theta energy: -5.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1629.789117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.789117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.789117 (E_RNA) where: Base-Base interactions energy: -1102.668 where: short stacking energy: -502.039 Base-Backbone interact. energy: -1.745 local terms energy: -525.375775 where: bonds (distance) C4'-P energy: -97.953 bonds (distance) P-C4' energy: -100.725 flat angles C4'-P-C4' energy: -116.057 flat angles P-C4'-P energy: -70.790 tors. eta vs tors. theta energy: -139.851 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: 9 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1649.160873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.160873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.160873 (E_RNA) where: Base-Base interactions energy: -1142.668 where: short stacking energy: -518.453 Base-Backbone interact. energy: -0.142 local terms energy: -506.350842 where: bonds (distance) C4'-P energy: -95.958 bonds (distance) P-C4' energy: -92.297 flat angles C4'-P-C4' energy: -107.709 flat angles P-C4'-P energy: -63.194 tors. eta vs tors. theta energy: -147.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1538.931261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.931261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.931261 (E_RNA) where: Base-Base interactions energy: -1067.200 where: short stacking energy: -434.185 Base-Backbone interact. energy: -0.435 local terms energy: -471.296579 where: bonds (distance) C4'-P energy: -86.880 bonds (distance) P-C4' energy: -96.872 flat angles C4'-P-C4' energy: -104.058 flat angles P-C4'-P energy: -64.257 tors. eta vs tors. theta energy: -119.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -1515.219301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.219301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.219301 (E_RNA) where: Base-Base interactions energy: -1059.068 where: short stacking energy: -471.897 Base-Backbone interact. energy: -0.350 local terms energy: -455.800680 where: bonds (distance) C4'-P energy: -88.970 bonds (distance) P-C4' energy: -91.669 flat angles C4'-P-C4' energy: -93.160 flat angles P-C4'-P energy: -60.380 tors. eta vs tors. theta energy: -121.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -1391.309725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.309725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.309725 (E_RNA) where: Base-Base interactions energy: -975.736 where: short stacking energy: -407.184 Base-Backbone interact. energy: -0.374 local terms energy: -415.199232 where: bonds (distance) C4'-P energy: -78.758 bonds (distance) P-C4' energy: -97.098 flat angles C4'-P-C4' energy: -94.190 flat angles P-C4'-P energy: -46.426 tors. eta vs tors. theta energy: -98.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -1254.842001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.842001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.842001 (E_RNA) where: Base-Base interactions energy: -817.376 where: short stacking energy: -376.567 Base-Backbone interact. energy: 0.373 local terms energy: -437.838103 where: bonds (distance) C4'-P energy: -94.400 bonds (distance) P-C4' energy: -87.424 flat angles C4'-P-C4' energy: -95.284 flat angles P-C4'-P energy: -74.716 tors. eta vs tors. theta energy: -86.014 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: 3 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -1220.357450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.357450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.357450 (E_RNA) where: Base-Base interactions energy: -817.585 where: short stacking energy: -373.342 Base-Backbone interact. energy: 0.345 local terms energy: -403.116916 where: bonds (distance) C4'-P energy: -76.339 bonds (distance) P-C4' energy: -82.064 flat angles C4'-P-C4' energy: -80.304 flat angles P-C4'-P energy: -66.292 tors. eta vs tors. theta energy: -98.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -934.837194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.837194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.837194 (E_RNA) where: Base-Base interactions energy: -592.778 where: short stacking energy: -279.103 Base-Backbone interact. energy: 3.827 local terms energy: -345.886086 where: bonds (distance) C4'-P energy: -70.686 bonds (distance) P-C4' energy: -89.029 flat angles C4'-P-C4' energy: -90.529 flat angles P-C4'-P energy: -46.217 tors. eta vs tors. theta energy: -49.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -742.989401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.989401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.989401 (E_RNA) where: Base-Base interactions energy: -444.635 where: short stacking energy: -226.373 Base-Backbone interact. energy: 0.175 local terms energy: -298.528988 where: bonds (distance) C4'-P energy: -79.588 bonds (distance) P-C4' energy: -67.780 flat angles C4'-P-C4' energy: -72.006 flat angles P-C4'-P energy: -50.282 tors. eta vs tors. theta energy: -28.872 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: 66 Temperature: 1.350000 Total energy: -489.669206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -489.669206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -489.669206 (E_RNA) where: Base-Base interactions energy: -219.882 where: short stacking energy: -141.347 Base-Backbone interact. energy: 8.175 local terms energy: -277.962658 where: bonds (distance) C4'-P energy: -76.350 bonds (distance) P-C4' energy: -82.846 flat angles C4'-P-C4' energy: -65.230 flat angles P-C4'-P energy: -41.626 tors. eta vs tors. theta energy: -11.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1644.616033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.616033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.616033 (E_RNA) where: Base-Base interactions energy: -1120.483 where: short stacking energy: -514.518 Base-Backbone interact. energy: -1.493 local terms energy: -522.639777 where: bonds (distance) C4'-P energy: -84.969 bonds (distance) P-C4' energy: -96.469 flat angles C4'-P-C4' energy: -111.431 flat angles P-C4'-P energy: -80.008 tors. eta vs tors. theta energy: -149.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1643.392972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.392972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.392972 (E_RNA) where: Base-Base interactions energy: -1126.455 where: short stacking energy: -499.038 Base-Backbone interact. energy: -3.080 local terms energy: -513.858523 where: bonds (distance) C4'-P energy: -94.788 bonds (distance) P-C4' energy: -95.228 flat angles C4'-P-C4' energy: -118.170 flat angles P-C4'-P energy: -63.864 tors. eta vs tors. theta energy: -141.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1552.980565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.980565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.980565 (E_RNA) where: Base-Base interactions energy: -1078.843 where: short stacking energy: -462.583 Base-Backbone interact. energy: -0.670 local terms energy: -473.467909 where: bonds (distance) C4'-P energy: -79.900 bonds (distance) P-C4' energy: -99.043 flat angles C4'-P-C4' energy: -98.155 flat angles P-C4'-P energy: -73.073 tors. eta vs tors. theta energy: -123.298 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: 4, replica: 5 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -1547.425804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.425804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.425804 (E_RNA) where: Base-Base interactions energy: -1074.794 where: short stacking energy: -453.653 Base-Backbone interact. energy: 0.117 local terms energy: -472.749182 where: bonds (distance) C4'-P energy: -93.461 bonds (distance) P-C4' energy: -83.374 flat angles C4'-P-C4' energy: -97.259 flat angles P-C4'-P energy: -82.186 tors. eta vs tors. theta energy: -116.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -1418.090279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.090279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.090279 (E_RNA) where: Base-Base interactions energy: -977.732 where: short stacking energy: -431.698 Base-Backbone interact. energy: -0.495 local terms energy: -439.863636 where: bonds (distance) C4'-P energy: -79.410 bonds (distance) P-C4' energy: -86.380 flat angles C4'-P-C4' energy: -97.063 flat angles P-C4'-P energy: -69.472 tors. eta vs tors. theta energy: -107.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -1302.120065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.120065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.120065 (E_RNA) where: Base-Base interactions energy: -878.073 where: short stacking energy: -393.316 Base-Backbone interact. energy: -5.201 local terms energy: -418.846023 where: bonds (distance) C4'-P energy: -63.984 bonds (distance) P-C4' energy: -104.669 flat angles C4'-P-C4' energy: -93.864 flat angles P-C4'-P energy: -52.860 tors. eta vs tors. theta energy: -103.469 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: 3 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -1191.076596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.076596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.076596 (E_RNA) where: Base-Base interactions energy: -798.141 where: short stacking energy: -345.120 Base-Backbone interact. energy: -1.304 local terms energy: -391.631726 where: bonds (distance) C4'-P energy: -81.761 bonds (distance) P-C4' energy: -70.226 flat angles C4'-P-C4' energy: -98.691 flat angles P-C4'-P energy: -55.970 tors. eta vs tors. theta energy: -84.984 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: 10 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -960.074471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.074471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.074471 (E_RNA) where: Base-Base interactions energy: -621.623 where: short stacking energy: -288.491 Base-Backbone interact. energy: 0.972 local terms energy: -339.423953 where: bonds (distance) C4'-P energy: -90.415 bonds (distance) P-C4' energy: -73.567 flat angles C4'-P-C4' energy: -79.265 flat angles P-C4'-P energy: -52.358 tors. eta vs tors. theta energy: -43.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -817.042698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.042698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.042698 (E_RNA) where: Base-Base interactions energy: -502.874 where: short stacking energy: -242.935 Base-Backbone interact. energy: -0.492 local terms energy: -313.676826 where: bonds (distance) C4'-P energy: -80.941 bonds (distance) P-C4' energy: -72.326 flat angles C4'-P-C4' energy: -88.130 flat angles P-C4'-P energy: -45.470 tors. eta vs tors. theta energy: -26.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -495.537611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.537611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.537611 (E_RNA) where: Base-Base interactions energy: -230.518 where: short stacking energy: -155.970 Base-Backbone interact. energy: -0.166 local terms energy: -264.853921 where: bonds (distance) C4'-P energy: -82.517 bonds (distance) P-C4' energy: -82.690 flat angles C4'-P-C4' energy: -65.972 flat angles P-C4'-P energy: -37.401 tors. eta vs tors. theta energy: 3.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1670.905281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.905281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.905281 (E_RNA) where: Base-Base interactions energy: -1149.309 where: short stacking energy: -514.250 Base-Backbone interact. energy: -1.686 local terms energy: -519.910055 where: bonds (distance) C4'-P energy: -107.304 bonds (distance) P-C4' energy: -93.389 flat angles C4'-P-C4' energy: -105.538 flat angles P-C4'-P energy: -73.272 tors. eta vs tors. theta energy: -140.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1625.171946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.171946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.171946 (E_RNA) where: Base-Base interactions energy: -1094.006 where: short stacking energy: -499.627 Base-Backbone interact. energy: -0.765 local terms energy: -530.401216 where: bonds (distance) C4'-P energy: -100.084 bonds (distance) P-C4' energy: -95.701 flat angles C4'-P-C4' energy: -111.371 flat angles P-C4'-P energy: -78.687 tors. eta vs tors. theta energy: -144.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -1581.937010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.937010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.937010 (E_RNA) where: Base-Base interactions energy: -1097.173 where: short stacking energy: -457.287 Base-Backbone interact. energy: -2.034 local terms energy: -482.729651 where: bonds (distance) C4'-P energy: -93.492 bonds (distance) P-C4' energy: -100.730 flat angles C4'-P-C4' energy: -101.826 flat angles P-C4'-P energy: -63.659 tors. eta vs tors. theta energy: -123.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -1533.532531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.532531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.532531 (E_RNA) where: Base-Base interactions energy: -1074.784 where: short stacking energy: -452.967 Base-Backbone interact. energy: -1.734 local terms energy: -457.014295 where: bonds (distance) C4'-P energy: -68.817 bonds (distance) P-C4' energy: -107.411 flat angles C4'-P-C4' energy: -98.200 flat angles P-C4'-P energy: -72.827 tors. eta vs tors. theta energy: -109.758 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: 5, replica: 1 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -1389.868255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.868255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.868255 (E_RNA) where: Base-Base interactions energy: -952.061 where: short stacking energy: -412.141 Base-Backbone interact. energy: -2.342 local terms energy: -435.465411 where: bonds (distance) C4'-P energy: -91.323 bonds (distance) P-C4' energy: -88.583 flat angles C4'-P-C4' energy: -96.144 flat angles P-C4'-P energy: -56.923 tors. eta vs tors. theta energy: -102.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -1306.645656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.645656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.645656 (E_RNA) where: Base-Base interactions energy: -897.232 where: short stacking energy: -378.582 Base-Backbone interact. energy: -3.111 local terms energy: -406.302551 where: bonds (distance) C4'-P energy: -89.871 bonds (distance) P-C4' energy: -77.410 flat angles C4'-P-C4' energy: -91.397 flat angles P-C4'-P energy: -56.791 tors. eta vs tors. theta energy: -90.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -1186.467097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.467097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.467097 (E_RNA) where: Base-Base interactions energy: -768.204 where: short stacking energy: -350.980 Base-Backbone interact. energy: -2.330 local terms energy: -415.933893 where: bonds (distance) C4'-P energy: -93.441 bonds (distance) P-C4' energy: -98.555 flat angles C4'-P-C4' energy: -76.859 flat angles P-C4'-P energy: -61.204 tors. eta vs tors. theta energy: -85.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -902.748105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.748105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.748105 (E_RNA) where: Base-Base interactions energy: -584.352 where: short stacking energy: -264.967 Base-Backbone interact. energy: -0.375 local terms energy: -318.021137 where: bonds (distance) C4'-P energy: -77.426 bonds (distance) P-C4' energy: -91.320 flat angles C4'-P-C4' energy: -66.463 flat angles P-C4'-P energy: -44.872 tors. eta vs tors. theta energy: -37.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -755.623210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.623210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.623210 (E_RNA) where: Base-Base interactions energy: -453.029 where: short stacking energy: -219.101 Base-Backbone interact. energy: 0.362 local terms energy: -302.956649 where: bonds (distance) C4'-P energy: -71.571 bonds (distance) P-C4' energy: -82.257 flat angles C4'-P-C4' energy: -75.844 flat angles P-C4'-P energy: -40.498 tors. eta vs tors. theta energy: -32.787 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: 6 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -469.857432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.857432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.857432 (E_RNA) where: Base-Base interactions energy: -208.548 where: short stacking energy: -121.929 Base-Backbone interact. energy: -1.205 local terms energy: -260.104220 where: bonds (distance) C4'-P energy: -82.308 bonds (distance) P-C4' energy: -75.371 flat angles C4'-P-C4' energy: -69.849 flat angles P-C4'-P energy: -50.519 tors. eta vs tors. theta energy: 17.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1700.713362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.713362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.713362 (E_RNA) where: Base-Base interactions energy: -1156.722 where: short stacking energy: -503.989 Base-Backbone interact. energy: 0.320 local terms energy: -544.311381 where: bonds (distance) C4'-P energy: -104.572 bonds (distance) P-C4' energy: -101.038 flat angles C4'-P-C4' energy: -104.648 flat angles P-C4'-P energy: -86.982 tors. eta vs tors. theta energy: -147.071 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: 4 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1607.191006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.191006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.191006 (E_RNA) where: Base-Base interactions energy: -1079.559 where: short stacking energy: -487.269 Base-Backbone interact. energy: -0.617 local terms energy: -527.015272 where: bonds (distance) C4'-P energy: -100.610 bonds (distance) P-C4' energy: -102.161 flat angles C4'-P-C4' energy: -114.420 flat angles P-C4'-P energy: -75.149 tors. eta vs tors. theta energy: -134.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1625.753015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.753015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.753015 (E_RNA) where: Base-Base interactions energy: -1132.361 where: short stacking energy: -463.588 Base-Backbone interact. energy: -2.798 local terms energy: -490.593879 where: bonds (distance) C4'-P energy: -90.437 bonds (distance) P-C4' energy: -97.423 flat angles C4'-P-C4' energy: -111.305 flat angles P-C4'-P energy: -73.994 tors. eta vs tors. theta energy: -117.434 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: 69 Temperature: 1.050000 Total energy: -1525.195442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.195442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.195442 (E_RNA) where: Base-Base interactions energy: -1069.801 where: short stacking energy: -442.454 Base-Backbone interact. energy: -0.584 local terms energy: -454.810753 where: bonds (distance) C4'-P energy: -89.859 bonds (distance) P-C4' energy: -81.722 flat angles C4'-P-C4' energy: -105.399 flat angles P-C4'-P energy: -62.872 tors. eta vs tors. theta energy: -114.959 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: 5, replica: 1 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -1419.212966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.212966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.212966 (E_RNA) where: Base-Base interactions energy: -967.304 where: short stacking energy: -412.862 Base-Backbone interact. energy: -4.006 local terms energy: -447.903015 where: bonds (distance) C4'-P energy: -85.685 bonds (distance) P-C4' energy: -88.882 flat angles C4'-P-C4' energy: -105.787 flat angles P-C4'-P energy: -56.934 tors. eta vs tors. theta energy: -110.615 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: 8 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -1318.868183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.868183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.868183 (E_RNA) where: Base-Base interactions energy: -911.804 where: short stacking energy: -369.201 Base-Backbone interact. energy: -1.167 local terms energy: -405.897588 where: bonds (distance) C4'-P energy: -89.446 bonds (distance) P-C4' energy: -86.790 flat angles C4'-P-C4' energy: -91.488 flat angles P-C4'-P energy: -49.112 tors. eta vs tors. theta energy: -89.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -1144.657635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.657635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.657635 (E_RNA) where: Base-Base interactions energy: -754.870 where: short stacking energy: -352.502 Base-Backbone interact. energy: -0.776 local terms energy: -389.011228 where: bonds (distance) C4'-P energy: -78.619 bonds (distance) P-C4' energy: -83.416 flat angles C4'-P-C4' energy: -76.701 flat angles P-C4'-P energy: -64.362 tors. eta vs tors. theta energy: -85.914 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: 69 Temperature: 1.250000 Total energy: -952.906220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.906220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.906220 (E_RNA) where: Base-Base interactions energy: -615.188 where: short stacking energy: -296.811 Base-Backbone interact. energy: -3.249 local terms energy: -334.468783 where: bonds (distance) C4'-P energy: -53.016 bonds (distance) P-C4' energy: -83.912 flat angles C4'-P-C4' energy: -89.643 flat angles P-C4'-P energy: -58.042 tors. eta vs tors. theta energy: -49.855 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: 2 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -777.151219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.151219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.151219 (E_RNA) where: Base-Base interactions energy: -476.504 where: short stacking energy: -216.160 Base-Backbone interact. energy: 0.272 local terms energy: -300.918716 where: bonds (distance) C4'-P energy: -77.992 bonds (distance) P-C4' energy: -89.644 flat angles C4'-P-C4' energy: -74.456 flat angles P-C4'-P energy: -33.562 tors. eta vs tors. theta energy: -25.265 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: 6 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -492.527622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.527622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.527622 (E_RNA) where: Base-Base interactions energy: -242.433 where: short stacking energy: -149.867 Base-Backbone interact. energy: 0.711 local terms energy: -250.805492 where: bonds (distance) C4'-P energy: -73.792 bonds (distance) P-C4' energy: -74.173 flat angles C4'-P-C4' energy: -65.530 flat angles P-C4'-P energy: -49.023 tors. eta vs tors. theta energy: 11.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1669.230936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.230936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.230936 (E_RNA) where: Base-Base interactions energy: -1142.298 where: short stacking energy: -525.117 Base-Backbone interact. energy: -0.334 local terms energy: -526.598732 where: bonds (distance) C4'-P energy: -94.902 bonds (distance) P-C4' energy: -101.955 flat angles C4'-P-C4' energy: -111.750 flat angles P-C4'-P energy: -72.267 tors. eta vs tors. theta energy: -145.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1592.630410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.630410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.630410 (E_RNA) where: Base-Base interactions energy: -1082.536 where: short stacking energy: -495.196 Base-Backbone interact. energy: -2.672 local terms energy: -507.422555 where: bonds (distance) C4'-P energy: -92.324 bonds (distance) P-C4' energy: -99.089 flat angles C4'-P-C4' energy: -105.083 flat angles P-C4'-P energy: -67.912 tors. eta vs tors. theta energy: -143.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1605.294626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.294626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.294626 (E_RNA) where: Base-Base interactions energy: -1148.061 where: short stacking energy: -439.203 Base-Backbone interact. energy: -2.854 local terms energy: -454.379598 where: bonds (distance) C4'-P energy: -87.756 bonds (distance) P-C4' energy: -88.408 flat angles C4'-P-C4' energy: -98.521 flat angles P-C4'-P energy: -61.306 tors. eta vs tors. theta energy: -118.389 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: 4, replica: 7 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -1525.538581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.538581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.538581 (E_RNA) where: Base-Base interactions energy: -1063.193 where: short stacking energy: -418.624 Base-Backbone interact. energy: -4.442 local terms energy: -457.903919 where: bonds (distance) C4'-P energy: -89.970 bonds (distance) P-C4' energy: -97.123 flat angles C4'-P-C4' energy: -100.782 flat angles P-C4'-P energy: -62.701 tors. eta vs tors. theta energy: -107.328 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: 5, replica: 1 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -1424.008706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.008706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.008706 (E_RNA) where: Base-Base interactions energy: -983.053 where: short stacking energy: -415.751 Base-Backbone interact. energy: -1.882 local terms energy: -439.073241 where: bonds (distance) C4'-P energy: -92.439 bonds (distance) P-C4' energy: -88.779 flat angles C4'-P-C4' energy: -91.790 flat angles P-C4'-P energy: -64.609 tors. eta vs tors. theta energy: -101.456 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: 8 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -1346.062155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.062155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.062155 (E_RNA) where: Base-Base interactions energy: -925.423 where: short stacking energy: -387.157 Base-Backbone interact. energy: -1.308 local terms energy: -419.330811 where: bonds (distance) C4'-P energy: -74.343 bonds (distance) P-C4' energy: -78.602 flat angles C4'-P-C4' energy: -96.917 flat angles P-C4'-P energy: -66.515 tors. eta vs tors. theta energy: -102.954 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: 3 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -1169.790077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.790077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.790077 (E_RNA) where: Base-Base interactions energy: -760.125 where: short stacking energy: -337.507 Base-Backbone interact. energy: 0.708 local terms energy: -410.372373 where: bonds (distance) C4'-P energy: -94.603 bonds (distance) P-C4' energy: -92.835 flat angles C4'-P-C4' energy: -85.491 flat angles P-C4'-P energy: -51.544 tors. eta vs tors. theta energy: -85.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -919.038781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.038781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.038781 (E_RNA) where: Base-Base interactions energy: -602.628 where: short stacking energy: -244.091 Base-Backbone interact. energy: 0.627 local terms energy: -317.037485 where: bonds (distance) C4'-P energy: -70.211 bonds (distance) P-C4' energy: -91.691 flat angles C4'-P-C4' energy: -75.514 flat angles P-C4'-P energy: -47.758 tors. eta vs tors. theta energy: -31.864 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: 2 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -849.652389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.652389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.652389 (E_RNA) where: Base-Base interactions energy: -513.945 where: short stacking energy: -253.902 Base-Backbone interact. energy: -0.724 local terms energy: -334.983958 where: bonds (distance) C4'-P energy: -74.738 bonds (distance) P-C4' energy: -84.110 flat angles C4'-P-C4' energy: -87.668 flat angles P-C4'-P energy: -56.383 tors. eta vs tors. theta energy: -32.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -470.969428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.969428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.969428 (E_RNA) where: Base-Base interactions energy: -214.451 where: short stacking energy: -143.653 Base-Backbone interact. energy: 1.706 local terms energy: -258.224254 where: bonds (distance) C4'-P energy: -82.002 bonds (distance) P-C4' energy: -76.414 flat angles C4'-P-C4' energy: -70.052 flat angles P-C4'-P energy: -45.290 tors. eta vs tors. theta energy: 15.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1695.097230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.097230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.097230 (E_RNA) where: Base-Base interactions energy: -1163.646 where: short stacking energy: -524.843 Base-Backbone interact. energy: -2.927 local terms energy: -528.524112 where: bonds (distance) C4'-P energy: -93.467 bonds (distance) P-C4' energy: -105.735 flat angles C4'-P-C4' energy: -115.434 flat angles P-C4'-P energy: -66.849 tors. eta vs tors. theta energy: -147.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1650.870714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.870714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.870714 (E_RNA) where: Base-Base interactions energy: -1147.335 where: short stacking energy: -480.660 Base-Backbone interact. energy: 2.134 local terms energy: -505.669452 where: bonds (distance) C4'-P energy: -88.102 bonds (distance) P-C4' energy: -102.598 flat angles C4'-P-C4' energy: -113.040 flat angles P-C4'-P energy: -63.189 tors. eta vs tors. theta energy: -138.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1545.290012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.290012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.290012 (E_RNA) where: Base-Base interactions energy: -1054.726 where: short stacking energy: -463.188 Base-Backbone interact. energy: -1.111 local terms energy: -489.452668 where: bonds (distance) C4'-P energy: -91.721 bonds (distance) P-C4' energy: -97.579 flat angles C4'-P-C4' energy: -100.232 flat angles P-C4'-P energy: -71.802 tors. eta vs tors. theta energy: -128.120 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: 7 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -1530.285447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.285447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.285447 (E_RNA) where: Base-Base interactions energy: -1072.305 where: short stacking energy: -435.290 Base-Backbone interact. energy: -0.164 local terms energy: -457.816154 where: bonds (distance) C4'-P energy: -97.614 bonds (distance) P-C4' energy: -98.894 flat angles C4'-P-C4' energy: -88.716 flat angles P-C4'-P energy: -59.839 tors. eta vs tors. theta energy: -112.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -1454.593401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.593401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.593401 (E_RNA) where: Base-Base interactions energy: -985.646 where: short stacking energy: -428.585 Base-Backbone interact. energy: -2.257 local terms energy: -466.690178 where: bonds (distance) C4'-P energy: -93.611 bonds (distance) P-C4' energy: -99.089 flat angles C4'-P-C4' energy: -94.983 flat angles P-C4'-P energy: -62.102 tors. eta vs tors. theta energy: -116.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -1305.766229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.766229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.766229 (E_RNA) where: Base-Base interactions energy: -876.989 where: short stacking energy: -392.660 Base-Backbone interact. energy: -3.089 local terms energy: -425.688329 where: bonds (distance) C4'-P energy: -93.035 bonds (distance) P-C4' energy: -73.166 flat angles C4'-P-C4' energy: -100.916 flat angles P-C4'-P energy: -61.949 tors. eta vs tors. theta energy: -96.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -1118.510263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.510263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.510263 (E_RNA) where: Base-Base interactions energy: -753.311 where: short stacking energy: -331.241 Base-Backbone interact. energy: 0.020 local terms energy: -365.218752 where: bonds (distance) C4'-P energy: -86.887 bonds (distance) P-C4' energy: -85.285 flat angles C4'-P-C4' energy: -77.410 flat angles P-C4'-P energy: -47.701 tors. eta vs tors. theta energy: -67.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -893.881328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.881328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.881328 (E_RNA) where: Base-Base interactions energy: -544.206 where: short stacking energy: -277.818 Base-Backbone interact. energy: -0.591 local terms energy: -349.084989 where: bonds (distance) C4'-P energy: -66.165 bonds (distance) P-C4' energy: -96.433 flat angles C4'-P-C4' energy: -78.209 flat angles P-C4'-P energy: -68.399 tors. eta vs tors. theta energy: -39.879 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: 10 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -913.873650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.873650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.873650 (E_RNA) where: Base-Base interactions energy: -611.770 where: short stacking energy: -248.987 Base-Backbone interact. energy: -2.081 local terms energy: -300.022461 where: bonds (distance) C4'-P energy: -89.469 bonds (distance) P-C4' energy: -77.982 flat angles C4'-P-C4' energy: -77.963 flat angles P-C4'-P energy: -30.864 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: 6 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -474.137137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.137137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.137137 (E_RNA) where: Base-Base interactions energy: -196.799 where: short stacking energy: -128.334 Base-Backbone interact. energy: 0.101 local terms energy: -277.439795 where: bonds (distance) C4'-P energy: -89.779 bonds (distance) P-C4' energy: -79.563 flat angles C4'-P-C4' energy: -65.928 flat angles P-C4'-P energy: -41.961 tors. eta vs tors. theta energy: -0.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1666.615537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.615537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.615537 (E_RNA) where: Base-Base interactions energy: -1139.483 where: short stacking energy: -514.345 Base-Backbone interact. energy: -0.770 local terms energy: -526.362189 where: bonds (distance) C4'-P energy: -99.366 bonds (distance) P-C4' energy: -105.640 flat angles C4'-P-C4' energy: -105.276 flat angles P-C4'-P energy: -72.315 tors. eta vs tors. theta energy: -143.767 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: 2, replica: 5 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -1664.428419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.428419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.428419 (E_RNA) where: Base-Base interactions energy: -1161.951 where: short stacking energy: -485.547 Base-Backbone interact. energy: -0.258 local terms energy: -502.218719 where: bonds (distance) C4'-P energy: -96.422 bonds (distance) P-C4' energy: -91.276 flat angles C4'-P-C4' energy: -103.453 flat angles P-C4'-P energy: -79.175 tors. eta vs tors. theta energy: -131.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1581.190364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.190364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.190364 (E_RNA) where: Base-Base interactions energy: -1094.937 where: short stacking energy: -464.355 Base-Backbone interact. energy: 1.949 local terms energy: -488.202242 where: bonds (distance) C4'-P energy: -90.833 bonds (distance) P-C4' energy: -93.254 flat angles C4'-P-C4' energy: -106.826 flat angles P-C4'-P energy: -75.765 tors. eta vs tors. theta energy: -121.524 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: 4 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -1510.261290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.261290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.261290 (E_RNA) where: Base-Base interactions energy: -1022.209 where: short stacking energy: -450.609 Base-Backbone interact. energy: -0.349 local terms energy: -487.702658 where: bonds (distance) C4'-P energy: -85.064 bonds (distance) P-C4' energy: -92.971 flat angles C4'-P-C4' energy: -114.071 flat angles P-C4'-P energy: -72.499 tors. eta vs tors. theta energy: -123.098 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: 1 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -1455.689495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.689495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.689495 (E_RNA) where: Base-Base interactions energy: -998.000 where: short stacking energy: -461.586 Base-Backbone interact. energy: 0.157 local terms energy: -457.846028 where: bonds (distance) C4'-P energy: -74.238 bonds (distance) P-C4' energy: -93.289 flat angles C4'-P-C4' energy: -95.557 flat angles P-C4'-P energy: -67.722 tors. eta vs tors. theta energy: -127.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -1327.527736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.527736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.527736 (E_RNA) where: Base-Base interactions energy: -900.706 where: short stacking energy: -401.109 Base-Backbone interact. energy: 2.131 local terms energy: -428.953307 where: bonds (distance) C4'-P energy: -77.354 bonds (distance) P-C4' energy: -87.912 flat angles C4'-P-C4' energy: -92.474 flat angles P-C4'-P energy: -63.307 tors. eta vs tors. theta energy: -107.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -1146.033461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.033461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.033461 (E_RNA) where: Base-Base interactions energy: -772.718 where: short stacking energy: -342.206 Base-Backbone interact. energy: 2.767 local terms energy: -376.082256 where: bonds (distance) C4'-P energy: -90.524 bonds (distance) P-C4' energy: -79.329 flat angles C4'-P-C4' energy: -81.323 flat angles P-C4'-P energy: -44.373 tors. eta vs tors. theta energy: -80.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -898.694289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.694289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.694289 (E_RNA) where: Base-Base interactions energy: -549.835 where: short stacking energy: -261.393 Base-Backbone interact. energy: 3.663 local terms energy: -352.522121 where: bonds (distance) C4'-P energy: -77.647 bonds (distance) P-C4' energy: -87.145 flat angles C4'-P-C4' energy: -83.475 flat angles P-C4'-P energy: -55.203 tors. eta vs tors. theta energy: -49.051 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: 72 Temperature: 1.300000 Total energy: -864.294380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.294380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.294380 (E_RNA) where: Base-Base interactions energy: -526.717 where: short stacking energy: -263.010 Base-Backbone interact. energy: -0.323 local terms energy: -337.254175 where: bonds (distance) C4'-P energy: -77.547 bonds (distance) P-C4' energy: -92.987 flat angles C4'-P-C4' energy: -76.911 flat angles P-C4'-P energy: -48.862 tors. eta vs tors. theta energy: -40.947 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: 72 Temperature: 1.350000 Total energy: -537.874821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.874821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.874821 (E_RNA) where: Base-Base interactions energy: -264.988 where: short stacking energy: -163.964 Base-Backbone interact. energy: -1.013 local terms energy: -271.873927 where: bonds (distance) C4'-P energy: -69.821 bonds (distance) P-C4' energy: -65.335 flat angles C4'-P-C4' energy: -65.958 flat angles P-C4'-P energy: -58.105 tors. eta vs tors. theta energy: -12.655 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: 9 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1672.301561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.301561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.301561 (E_RNA) where: Base-Base interactions energy: -1147.676 where: short stacking energy: -523.906 Base-Backbone interact. energy: -2.554 local terms energy: -522.071301 where: bonds (distance) C4'-P energy: -91.456 bonds (distance) P-C4' energy: -94.044 flat angles C4'-P-C4' energy: -109.583 flat angles P-C4'-P energy: -88.451 tors. eta vs tors. theta energy: -138.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1656.284469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.284469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.284469 (E_RNA) where: Base-Base interactions energy: -1149.969 where: short stacking energy: -502.757 Base-Backbone interact. energy: -1.276 local terms energy: -505.038702 where: bonds (distance) C4'-P energy: -104.726 bonds (distance) P-C4' energy: -94.933 flat angles C4'-P-C4' energy: -104.361 flat angles P-C4'-P energy: -65.315 tors. eta vs tors. theta energy: -135.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1600.961852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.961852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.961852 (E_RNA) where: Base-Base interactions energy: -1117.176 where: short stacking energy: -449.203 Base-Backbone interact. energy: -3.206 local terms energy: -480.580098 where: bonds (distance) C4'-P energy: -109.053 bonds (distance) P-C4' energy: -86.409 flat angles C4'-P-C4' energy: -93.806 flat angles P-C4'-P energy: -72.164 tors. eta vs tors. theta energy: -119.149 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: 4, replica: 1 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -1493.129712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.129712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.129712 (E_RNA) where: Base-Base interactions energy: -1008.627 where: short stacking energy: -426.977 Base-Backbone interact. energy: -2.287 local terms energy: -482.215986 where: bonds (distance) C4'-P energy: -93.315 bonds (distance) P-C4' energy: -75.932 flat angles C4'-P-C4' energy: -115.893 flat angles P-C4'-P energy: -67.417 tors. eta vs tors. theta energy: -129.659 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: 4 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -1428.497647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.497647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.497647 (E_RNA) where: Base-Base interactions energy: -983.285 where: short stacking energy: -421.984 Base-Backbone interact. energy: -1.304 local terms energy: -443.908956 where: bonds (distance) C4'-P energy: -90.095 bonds (distance) P-C4' energy: -89.896 flat angles C4'-P-C4' energy: -87.792 flat angles P-C4'-P energy: -59.648 tors. eta vs tors. theta energy: -116.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -1349.647425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.647425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.647425 (E_RNA) where: Base-Base interactions energy: -898.909 where: short stacking energy: -403.449 Base-Backbone interact. energy: -2.217 local terms energy: -448.520870 where: bonds (distance) C4'-P energy: -76.577 bonds (distance) P-C4' energy: -78.486 flat angles C4'-P-C4' energy: -100.739 flat angles P-C4'-P energy: -82.117 tors. eta vs tors. theta energy: -110.603 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: 3 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -1166.622155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.622155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.622155 (E_RNA) where: Base-Base interactions energy: -808.734 where: short stacking energy: -359.698 Base-Backbone interact. energy: 0.473 local terms energy: -358.361770 where: bonds (distance) C4'-P energy: -68.085 bonds (distance) P-C4' energy: -72.403 flat angles C4'-P-C4' energy: -85.266 flat angles P-C4'-P energy: -52.514 tors. eta vs tors. theta energy: -80.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -865.577397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.577397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.577397 (E_RNA) where: Base-Base interactions energy: -536.463 where: short stacking energy: -261.425 Base-Backbone interact. energy: -1.737 local terms energy: -327.376680 where: bonds (distance) C4'-P energy: -62.299 bonds (distance) P-C4' energy: -99.362 flat angles C4'-P-C4' energy: -65.816 flat angles P-C4'-P energy: -56.041 tors. eta vs tors. theta energy: -43.859 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: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -878.494118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.494118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.494118 (E_RNA) where: Base-Base interactions energy: -548.251 where: short stacking energy: -277.373 Base-Backbone interact. energy: -0.855 local terms energy: -329.387762 where: bonds (distance) C4'-P energy: -79.551 bonds (distance) P-C4' energy: -85.952 flat angles C4'-P-C4' energy: -65.952 flat angles P-C4'-P energy: -41.260 tors. eta vs tors. theta energy: -56.673 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: 10, replica: 6 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -538.513433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.513433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.513433 (E_RNA) where: Base-Base interactions energy: -270.408 where: short stacking energy: -144.322 Base-Backbone interact. energy: 1.520 local terms energy: -269.625909 where: bonds (distance) C4'-P energy: -75.396 bonds (distance) P-C4' energy: -85.791 flat angles C4'-P-C4' energy: -57.392 flat angles P-C4'-P energy: -50.571 tors. eta vs tors. theta energy: -0.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1734.235261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.235261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.235261 (E_RNA) where: Base-Base interactions energy: -1220.785 where: short stacking energy: -522.161 Base-Backbone interact. energy: -2.108 local terms energy: -511.342436 where: bonds (distance) C4'-P energy: -95.275 bonds (distance) P-C4' energy: -90.170 flat angles C4'-P-C4' energy: -115.359 flat angles P-C4'-P energy: -70.998 tors. eta vs tors. theta energy: -139.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1643.702483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.702483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.702483 (E_RNA) where: Base-Base interactions energy: -1121.373 where: short stacking energy: -499.503 Base-Backbone interact. energy: -1.605 local terms energy: -520.724022 where: bonds (distance) C4'-P energy: -100.922 bonds (distance) P-C4' energy: -95.871 flat angles C4'-P-C4' energy: -112.262 flat angles P-C4'-P energy: -68.560 tors. eta vs tors. theta energy: -143.109 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: 7 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1591.089169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.089169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.089169 (E_RNA) where: Base-Base interactions energy: -1093.983 where: short stacking energy: -461.909 Base-Backbone interact. energy: -2.853 local terms energy: -494.253091 where: bonds (distance) C4'-P energy: -100.048 bonds (distance) P-C4' energy: -95.770 flat angles C4'-P-C4' energy: -106.440 flat angles P-C4'-P energy: -67.271 tors. eta vs tors. theta energy: -124.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -1466.171516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.171516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.171516 (E_RNA) where: Base-Base interactions energy: -999.583 where: short stacking energy: -436.380 Base-Backbone interact. energy: -0.474 local terms energy: -466.114584 where: bonds (distance) C4'-P energy: -74.646 bonds (distance) P-C4' energy: -92.845 flat angles C4'-P-C4' energy: -105.984 flat angles P-C4'-P energy: -64.748 tors. eta vs tors. theta energy: -127.891 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: 4 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -1477.441461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.441461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.441461 (E_RNA) where: Base-Base interactions energy: -1001.755 where: short stacking energy: -448.333 Base-Backbone interact. energy: -0.587 local terms energy: -475.100181 where: bonds (distance) C4'-P energy: -89.454 bonds (distance) P-C4' energy: -103.233 flat angles C4'-P-C4' energy: -111.862 flat angles P-C4'-P energy: -56.846 tors. eta vs tors. theta energy: -113.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -1354.117234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.117234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.117234 (E_RNA) where: Base-Base interactions energy: -933.035 where: short stacking energy: -398.736 Base-Backbone interact. energy: -3.246 local terms energy: -417.836962 where: bonds (distance) C4'-P energy: -75.976 bonds (distance) P-C4' energy: -81.880 flat angles C4'-P-C4' energy: -93.378 flat angles P-C4'-P energy: -59.940 tors. eta vs tors. theta energy: -106.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -1161.235265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.235265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.235265 (E_RNA) where: Base-Base interactions energy: -743.554 where: short stacking energy: -334.995 Base-Backbone interact. energy: -1.322 local terms energy: -416.359706 where: bonds (distance) C4'-P energy: -87.539 bonds (distance) P-C4' energy: -96.571 flat angles C4'-P-C4' energy: -99.818 flat angles P-C4'-P energy: -51.509 tors. eta vs tors. theta energy: -80.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -872.628612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.628612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.628612 (E_RNA) where: Base-Base interactions energy: -544.781 where: short stacking energy: -252.424 Base-Backbone interact. energy: 0.113 local terms energy: -327.960794 where: bonds (distance) C4'-P energy: -84.588 bonds (distance) P-C4' energy: -74.153 flat angles C4'-P-C4' energy: -77.117 flat angles P-C4'-P energy: -53.171 tors. eta vs tors. theta energy: -38.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -897.770221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.770221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.770221 (E_RNA) where: Base-Base interactions energy: -556.960 where: short stacking energy: -263.875 Base-Backbone interact. energy: -0.215 local terms energy: -340.595185 where: bonds (distance) C4'-P energy: -80.589 bonds (distance) P-C4' energy: -76.264 flat angles C4'-P-C4' energy: -88.856 flat angles P-C4'-P energy: -49.932 tors. eta vs tors. theta energy: -44.954 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: 6 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -561.631678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.631678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.631678 (E_RNA) where: Base-Base interactions energy: -299.536 where: short stacking energy: -168.029 Base-Backbone interact. energy: 1.542 local terms energy: -263.638009 where: bonds (distance) C4'-P energy: -71.055 bonds (distance) P-C4' energy: -87.804 flat angles C4'-P-C4' energy: -68.925 flat angles P-C4'-P energy: -25.587 tors. eta vs tors. theta energy: -10.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1738.806663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.806663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.806663 (E_RNA) where: Base-Base interactions energy: -1218.760 where: short stacking energy: -512.058 Base-Backbone interact. energy: -2.248 local terms energy: -517.798080 where: bonds (distance) C4'-P energy: -107.481 bonds (distance) P-C4' energy: -91.882 flat angles C4'-P-C4' energy: -100.895 flat angles P-C4'-P energy: -75.056 tors. eta vs tors. theta energy: -142.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1657.762990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.762990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.762990 (E_RNA) where: Base-Base interactions energy: -1158.181 where: short stacking energy: -490.247 Base-Backbone interact. energy: 0.181 local terms energy: -499.763291 where: bonds (distance) C4'-P energy: -91.541 bonds (distance) P-C4' energy: -93.968 flat angles C4'-P-C4' energy: -110.657 flat angles P-C4'-P energy: -73.911 tors. eta vs tors. theta energy: -129.687 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: 9 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1609.047801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.047801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.047801 (E_RNA) where: Base-Base interactions energy: -1104.518 where: short stacking energy: -494.287 Base-Backbone interact. energy: -1.884 local terms energy: -502.646551 where: bonds (distance) C4'-P energy: -94.786 bonds (distance) P-C4' energy: -105.245 flat angles C4'-P-C4' energy: -106.847 flat angles P-C4'-P energy: -63.331 tors. eta vs tors. theta energy: -132.437 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: 4 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -1514.710322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.710322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.710322 (E_RNA) where: Base-Base interactions energy: -1007.874 where: short stacking energy: -455.939 Base-Backbone interact. energy: -0.182 local terms energy: -506.653543 where: bonds (distance) C4'-P energy: -90.867 bonds (distance) P-C4' energy: -102.690 flat angles C4'-P-C4' energy: -111.473 flat angles P-C4'-P energy: -71.600 tors. eta vs tors. theta energy: -130.024 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: 5, replica: 1 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -1424.163410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.163410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.163410 (E_RNA) where: Base-Base interactions energy: -989.942 where: short stacking energy: -438.901 Base-Backbone interact. energy: -2.741 local terms energy: -431.480289 where: bonds (distance) C4'-P energy: -86.122 bonds (distance) P-C4' energy: -80.729 flat angles C4'-P-C4' energy: -85.193 flat angles P-C4'-P energy: -63.579 tors. eta vs tors. theta energy: -115.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -1292.983653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.983653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.983653 (E_RNA) where: Base-Base interactions energy: -877.901 where: short stacking energy: -384.849 Base-Backbone interact. energy: -1.344 local terms energy: -413.739022 where: bonds (distance) C4'-P energy: -75.161 bonds (distance) P-C4' energy: -83.323 flat angles C4'-P-C4' energy: -99.920 flat angles P-C4'-P energy: -61.454 tors. eta vs tors. theta energy: -93.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -1116.143471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.143471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.143471 (E_RNA) where: Base-Base interactions energy: -722.033 where: short stacking energy: -327.385 Base-Backbone interact. energy: -2.312 local terms energy: -391.798302 where: bonds (distance) C4'-P energy: -80.354 bonds (distance) P-C4' energy: -92.286 flat angles C4'-P-C4' energy: -88.583 flat angles P-C4'-P energy: -50.412 tors. eta vs tors. theta energy: -80.162 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: 10 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -977.994148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.994148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.994148 (E_RNA) where: Base-Base interactions energy: -629.189 where: short stacking energy: -292.073 Base-Backbone interact. energy: -0.024 local terms energy: -348.780506 where: bonds (distance) C4'-P energy: -80.274 bonds (distance) P-C4' energy: -88.770 flat angles C4'-P-C4' energy: -87.766 flat angles P-C4'-P energy: -41.984 tors. eta vs tors. theta energy: -49.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -850.837319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.837319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.837319 (E_RNA) where: Base-Base interactions energy: -541.494 where: short stacking energy: -254.282 Base-Backbone interact. energy: 0.755 local terms energy: -310.098137 where: bonds (distance) C4'-P energy: -87.639 bonds (distance) P-C4' energy: -65.851 flat angles C4'-P-C4' energy: -77.994 flat angles P-C4'-P energy: -41.142 tors. eta vs tors. theta energy: -37.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -589.329036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.329036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.329036 (E_RNA) where: Base-Base interactions energy: -303.420 where: short stacking energy: -164.604 Base-Backbone interact. energy: 2.067 local terms energy: -287.976580 where: bonds (distance) C4'-P energy: -86.017 bonds (distance) P-C4' energy: -81.052 flat angles C4'-P-C4' energy: -77.016 flat angles P-C4'-P energy: -32.205 tors. eta vs tors. theta energy: -11.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1764.386913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.386913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.386913 (E_RNA) where: Base-Base interactions energy: -1244.566 where: short stacking energy: -518.013 Base-Backbone interact. energy: -3.244 local terms energy: -516.577451 where: bonds (distance) C4'-P energy: -100.807 bonds (distance) P-C4' energy: -95.371 flat angles C4'-P-C4' energy: -105.725 flat angles P-C4'-P energy: -77.982 tors. eta vs tors. theta energy: -136.693 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: 7 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1651.793108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.793108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.793108 (E_RNA) where: Base-Base interactions energy: -1147.315 where: short stacking energy: -469.909 Base-Backbone interact. energy: -2.815 local terms energy: -501.663157 where: bonds (distance) C4'-P energy: -96.134 bonds (distance) P-C4' energy: -99.352 flat angles C4'-P-C4' energy: -103.338 flat angles P-C4'-P energy: -76.374 tors. eta vs tors. theta energy: -126.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -1566.305217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.305217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.305217 (E_RNA) where: Base-Base interactions energy: -1079.548 where: short stacking energy: -488.973 Base-Backbone interact. energy: 5.076 local terms energy: -491.833878 where: bonds (distance) C4'-P energy: -91.115 bonds (distance) P-C4' energy: -94.480 flat angles C4'-P-C4' energy: -104.989 flat angles P-C4'-P energy: -67.932 tors. eta vs tors. theta energy: -133.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -1500.556034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.556034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.556034 (E_RNA) where: Base-Base interactions energy: -1003.652 where: short stacking energy: -441.758 Base-Backbone interact. energy: -0.224 local terms energy: -496.679440 where: bonds (distance) C4'-P energy: -103.686 bonds (distance) P-C4' energy: -89.288 flat angles C4'-P-C4' energy: -111.488 flat angles P-C4'-P energy: -63.973 tors. eta vs tors. theta energy: -128.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -1447.276627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.276627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.276627 (E_RNA) where: Base-Base interactions energy: -985.945 where: short stacking energy: -425.687 Base-Backbone interact. energy: -1.188 local terms energy: -460.142972 where: bonds (distance) C4'-P energy: -83.472 bonds (distance) P-C4' energy: -95.992 flat angles C4'-P-C4' energy: -96.791 flat angles P-C4'-P energy: -73.591 tors. eta vs tors. theta energy: -110.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -1232.905064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1232.905064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1232.905064 (E_RNA) where: Base-Base interactions energy: -846.925 where: short stacking energy: -348.377 Base-Backbone interact. energy: -0.875 local terms energy: -385.105603 where: bonds (distance) C4'-P energy: -77.855 bonds (distance) P-C4' energy: -83.593 flat angles C4'-P-C4' energy: -93.423 flat angles P-C4'-P energy: -56.366 tors. eta vs tors. theta energy: -73.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -1108.351130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.351130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.351130 (E_RNA) where: Base-Base interactions energy: -721.824 where: short stacking energy: -337.937 Base-Backbone interact. energy: -1.458 local terms energy: -385.068637 where: bonds (distance) C4'-P energy: -78.706 bonds (distance) P-C4' energy: -91.584 flat angles C4'-P-C4' energy: -84.365 flat angles P-C4'-P energy: -61.515 tors. eta vs tors. theta energy: -68.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -995.897882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.897882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.897882 (E_RNA) where: Base-Base interactions energy: -622.487 where: short stacking energy: -295.813 Base-Backbone interact. energy: 3.217 local terms energy: -376.627257 where: bonds (distance) C4'-P energy: -95.198 bonds (distance) P-C4' energy: -96.927 flat angles C4'-P-C4' energy: -80.306 flat angles P-C4'-P energy: -57.033 tors. eta vs tors. theta energy: -47.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -906.795060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.795060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.795060 (E_RNA) where: Base-Base interactions energy: -559.379 where: short stacking energy: -237.536 Base-Backbone interact. energy: -1.267 local terms energy: -346.148493 where: bonds (distance) C4'-P energy: -72.869 bonds (distance) P-C4' energy: -82.029 flat angles C4'-P-C4' energy: -92.726 flat angles P-C4'-P energy: -55.188 tors. eta vs tors. theta energy: -43.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -495.662323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.662323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.662323 (E_RNA) where: Base-Base interactions energy: -242.865 where: short stacking energy: -126.686 Base-Backbone interact. energy: 0.819 local terms energy: -253.616171 where: bonds (distance) C4'-P energy: -65.652 bonds (distance) P-C4' energy: -100.234 flat angles C4'-P-C4' energy: -65.535 flat angles P-C4'-P energy: -39.851 tors. eta vs tors. theta energy: 17.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1728.077285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.077285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.077285 (E_RNA) where: Base-Base interactions energy: -1204.864 where: short stacking energy: -527.715 Base-Backbone interact. energy: -2.421 local terms energy: -520.791511 where: bonds (distance) C4'-P energy: -90.339 bonds (distance) P-C4' energy: -97.986 flat angles C4'-P-C4' energy: -106.212 flat angles P-C4'-P energy: -87.102 tors. eta vs tors. theta energy: -139.151 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: 7 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1655.007750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.007750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.007750 (E_RNA) where: Base-Base interactions energy: -1151.316 where: short stacking energy: -477.244 Base-Backbone interact. energy: -3.951 local terms energy: -499.741117 where: bonds (distance) C4'-P energy: -95.529 bonds (distance) P-C4' energy: -86.538 flat angles C4'-P-C4' energy: -106.767 flat angles P-C4'-P energy: -83.481 tors. eta vs tors. theta energy: -127.427 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: 3, replica: 9 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1586.618484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.618484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.618484 (E_RNA) where: Base-Base interactions energy: -1083.264 where: short stacking energy: -498.519 Base-Backbone interact. energy: -0.938 local terms energy: -502.416348 where: bonds (distance) C4'-P energy: -87.065 bonds (distance) P-C4' energy: -98.912 flat angles C4'-P-C4' energy: -104.618 flat angles P-C4'-P energy: -75.137 tors. eta vs tors. theta energy: -136.684 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: 4 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -1478.555100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.555100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.555100 (E_RNA) where: Base-Base interactions energy: -1017.739 where: short stacking energy: -450.019 Base-Backbone interact. energy: -0.427 local terms energy: -460.389577 where: bonds (distance) C4'-P energy: -85.868 bonds (distance) P-C4' energy: -90.665 flat angles C4'-P-C4' energy: -102.639 flat angles P-C4'-P energy: -62.663 tors. eta vs tors. theta energy: -118.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -1433.860473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.860473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.860473 (E_RNA) where: Base-Base interactions energy: -971.872 where: short stacking energy: -423.738 Base-Backbone interact. energy: -1.718 local terms energy: -460.270648 where: bonds (distance) C4'-P energy: -90.414 bonds (distance) P-C4' energy: -92.152 flat angles C4'-P-C4' energy: -101.018 flat angles P-C4'-P energy: -71.152 tors. eta vs tors. theta energy: -105.535 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: 8 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -1256.102833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.102833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.102833 (E_RNA) where: Base-Base interactions energy: -848.764 where: short stacking energy: -360.030 Base-Backbone interact. energy: 0.471 local terms energy: -407.809829 where: bonds (distance) C4'-P energy: -92.012 bonds (distance) P-C4' energy: -80.775 flat angles C4'-P-C4' energy: -91.598 flat angles P-C4'-P energy: -58.578 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: 7, replica: 3 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -1100.786633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.786633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.786633 (E_RNA) where: Base-Base interactions energy: -746.801 where: short stacking energy: -326.217 Base-Backbone interact. energy: 0.180 local terms energy: -354.165517 where: bonds (distance) C4'-P energy: -64.547 bonds (distance) P-C4' energy: -88.923 flat angles C4'-P-C4' energy: -85.831 flat angles P-C4'-P energy: -55.314 tors. eta vs tors. theta energy: -59.550 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: 10 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -954.752990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.752990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.752990 (E_RNA) where: Base-Base interactions energy: -615.061 where: short stacking energy: -283.620 Base-Backbone interact. energy: 2.223 local terms energy: -341.914875 where: bonds (distance) C4'-P energy: -82.040 bonds (distance) P-C4' energy: -81.322 flat angles C4'-P-C4' energy: -75.821 flat angles P-C4'-P energy: -50.722 tors. eta vs tors. theta energy: -52.010 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: 2 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -915.820678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.820678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.820678 (E_RNA) where: Base-Base interactions energy: -585.738 where: short stacking energy: -270.988 Base-Backbone interact. energy: -0.711 local terms energy: -329.371405 where: bonds (distance) C4'-P energy: -83.640 bonds (distance) P-C4' energy: -75.730 flat angles C4'-P-C4' energy: -82.198 flat angles P-C4'-P energy: -57.633 tors. eta vs tors. theta energy: -30.169 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: 6 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -561.164250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.164250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.164250 (E_RNA) where: Base-Base interactions energy: -317.942 where: short stacking energy: -166.605 Base-Backbone interact. energy: 1.170 local terms energy: -244.391698 where: bonds (distance) C4'-P energy: -68.561 bonds (distance) P-C4' energy: -69.771 flat angles C4'-P-C4' energy: -66.355 flat angles P-C4'-P energy: -44.696 tors. eta vs tors. theta energy: 4.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1747.709660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.709660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.709660 (E_RNA) where: Base-Base interactions energy: -1197.684 where: short stacking energy: -532.498 Base-Backbone interact. energy: -2.660 local terms energy: -547.366105 where: bonds (distance) C4'-P energy: -97.055 bonds (distance) P-C4' energy: -102.637 flat angles C4'-P-C4' energy: -121.402 flat angles P-C4'-P energy: -83.896 tors. eta vs tors. theta energy: -142.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1632.160885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.160885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.160885 (E_RNA) where: Base-Base interactions energy: -1151.247 where: short stacking energy: -477.199 Base-Backbone interact. energy: -4.443 local terms energy: -476.470839 where: bonds (distance) C4'-P energy: -87.861 bonds (distance) P-C4' energy: -82.994 flat angles C4'-P-C4' energy: -111.946 flat angles P-C4'-P energy: -71.666 tors. eta vs tors. theta energy: -122.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -1556.280860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.280860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.280860 (E_RNA) where: Base-Base interactions energy: -1036.130 where: short stacking energy: -487.714 Base-Backbone interact. energy: 0.121 local terms energy: -520.271822 where: bonds (distance) C4'-P energy: -105.016 bonds (distance) P-C4' energy: -102.182 flat angles C4'-P-C4' energy: -102.837 flat angles P-C4'-P energy: -79.919 tors. eta vs tors. theta energy: -130.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -1443.623286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.623286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.623286 (E_RNA) where: Base-Base interactions energy: -983.222 where: short stacking energy: -442.181 Base-Backbone interact. energy: -4.870 local terms energy: -455.531360 where: bonds (distance) C4'-P energy: -92.784 bonds (distance) P-C4' energy: -101.126 flat angles C4'-P-C4' energy: -85.498 flat angles P-C4'-P energy: -66.484 tors. eta vs tors. theta energy: -109.640 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: 1 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -1451.100489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.100489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.100489 (E_RNA) where: Base-Base interactions energy: -989.478 where: short stacking energy: -408.757 Base-Backbone interact. energy: -0.942 local terms energy: -460.680475 where: bonds (distance) C4'-P energy: -83.406 bonds (distance) P-C4' energy: -87.980 flat angles C4'-P-C4' energy: -100.191 flat angles P-C4'-P energy: -78.546 tors. eta vs tors. theta energy: -110.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -1287.125079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.125079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.125079 (E_RNA) where: Base-Base interactions energy: -874.489 where: short stacking energy: -382.556 Base-Backbone interact. energy: 0.080 local terms energy: -412.715796 where: bonds (distance) C4'-P energy: -89.722 bonds (distance) P-C4' energy: -91.236 flat angles C4'-P-C4' energy: -86.511 flat angles P-C4'-P energy: -61.013 tors. eta vs tors. theta energy: -84.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -1141.572689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.572689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.572689 (E_RNA) where: Base-Base interactions energy: -781.251 where: short stacking energy: -357.402 Base-Backbone interact. energy: -2.782 local terms energy: -357.539167 where: bonds (distance) C4'-P energy: -79.144 bonds (distance) P-C4' energy: -61.471 flat angles C4'-P-C4' energy: -88.000 flat angles P-C4'-P energy: -47.446 tors. eta vs tors. theta energy: -81.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -952.709625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.709625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.709625 (E_RNA) where: Base-Base interactions energy: -610.505 where: short stacking energy: -295.522 Base-Backbone interact. energy: -2.715 local terms energy: -339.489662 where: bonds (distance) C4'-P energy: -82.503 bonds (distance) P-C4' energy: -86.945 flat angles C4'-P-C4' energy: -85.115 flat angles P-C4'-P energy: -33.237 tors. eta vs tors. theta energy: -51.690 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: 2 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -901.484448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.484448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.484448 (E_RNA) where: Base-Base interactions energy: -589.337 where: short stacking energy: -270.393 Base-Backbone interact. energy: 1.110 local terms energy: -313.257074 where: bonds (distance) C4'-P energy: -77.999 bonds (distance) P-C4' energy: -80.802 flat angles C4'-P-C4' energy: -73.592 flat angles P-C4'-P energy: -50.254 tors. eta vs tors. theta energy: -30.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -583.277160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.277160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.277160 (E_RNA) where: Base-Base interactions energy: -285.897 where: short stacking energy: -165.655 Base-Backbone interact. energy: -0.501 local terms energy: -296.879641 where: bonds (distance) C4'-P energy: -90.381 bonds (distance) P-C4' energy: -90.652 flat angles C4'-P-C4' energy: -67.924 flat angles P-C4'-P energy: -41.159 tors. eta vs tors. theta energy: -6.763 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: 5 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1731.751618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.751618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.751618 (E_RNA) where: Base-Base interactions energy: -1229.278 where: short stacking energy: -512.896 Base-Backbone interact. energy: -1.002 local terms energy: -501.470869 where: bonds (distance) C4'-P energy: -88.194 bonds (distance) P-C4' energy: -103.084 flat angles C4'-P-C4' energy: -106.494 flat angles P-C4'-P energy: -70.924 tors. eta vs tors. theta energy: -132.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1615.115453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.115453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.115453 (E_RNA) where: Base-Base interactions energy: -1137.108 where: short stacking energy: -474.640 Base-Backbone interact. energy: -2.356 local terms energy: -475.651152 where: bonds (distance) C4'-P energy: -88.792 bonds (distance) P-C4' energy: -103.746 flat angles C4'-P-C4' energy: -105.435 flat angles P-C4'-P energy: -64.467 tors. eta vs tors. theta energy: -113.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1569.479456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.479456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.479456 (E_RNA) where: Base-Base interactions energy: -1076.155 where: short stacking energy: -494.888 Base-Backbone interact. energy: -3.504 local terms energy: -489.820677 where: bonds (distance) C4'-P energy: -87.111 bonds (distance) P-C4' energy: -93.380 flat angles C4'-P-C4' energy: -109.932 flat angles P-C4'-P energy: -62.599 tors. eta vs tors. theta energy: -136.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -1533.968739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.968739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.968739 (E_RNA) where: Base-Base interactions energy: -1060.727 where: short stacking energy: -460.166 Base-Backbone interact. energy: -1.365 local terms energy: -471.876730 where: bonds (distance) C4'-P energy: -90.734 bonds (distance) P-C4' energy: -78.090 flat angles C4'-P-C4' energy: -104.852 flat angles P-C4'-P energy: -75.881 tors. eta vs tors. theta energy: -122.321 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: 4 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -1435.066837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.066837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.066837 (E_RNA) where: Base-Base interactions energy: -972.126 where: short stacking energy: -433.897 Base-Backbone interact. energy: -0.711 local terms energy: -462.229633 where: bonds (distance) C4'-P energy: -83.123 bonds (distance) P-C4' energy: -87.225 flat angles C4'-P-C4' energy: -101.120 flat angles P-C4'-P energy: -54.948 tors. eta vs tors. theta energy: -135.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -1314.600628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.600628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.600628 (E_RNA) where: Base-Base interactions energy: -904.560 where: short stacking energy: -396.143 Base-Backbone interact. energy: 5.692 local terms energy: -415.732261 where: bonds (distance) C4'-P energy: -87.104 bonds (distance) P-C4' energy: -77.451 flat angles C4'-P-C4' energy: -93.706 flat angles P-C4'-P energy: -57.032 tors. eta vs tors. theta energy: -100.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -1132.401515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.401515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.401515 (E_RNA) where: Base-Base interactions energy: -761.788 where: short stacking energy: -345.043 Base-Backbone interact. energy: -0.322 local terms energy: -370.291263 where: bonds (distance) C4'-P energy: -69.923 bonds (distance) P-C4' energy: -80.745 flat angles C4'-P-C4' energy: -73.983 flat angles P-C4'-P energy: -67.025 tors. eta vs tors. theta energy: -78.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -944.116654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.116654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.116654 (E_RNA) where: Base-Base interactions energy: -619.004 where: short stacking energy: -294.481 Base-Backbone interact. energy: 5.185 local terms energy: -330.298015 where: bonds (distance) C4'-P energy: -71.035 bonds (distance) P-C4' energy: -93.731 flat angles C4'-P-C4' energy: -72.516 flat angles P-C4'-P energy: -55.436 tors. eta vs tors. theta energy: -37.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -860.318856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.318856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.318856 (E_RNA) where: Base-Base interactions energy: -530.185 where: short stacking energy: -242.358 Base-Backbone interact. energy: 9.233 local terms energy: -339.366673 where: bonds (distance) C4'-P energy: -72.794 bonds (distance) P-C4' energy: -101.764 flat angles C4'-P-C4' energy: -73.521 flat angles P-C4'-P energy: -55.085 tors. eta vs tors. theta energy: -36.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -513.285353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.285353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.285353 (E_RNA) where: Base-Base interactions energy: -263.661 where: short stacking energy: -154.707 Base-Backbone interact. energy: 5.613 local terms energy: -255.237711 where: bonds (distance) C4'-P energy: -84.063 bonds (distance) P-C4' energy: -63.131 flat angles C4'-P-C4' energy: -53.223 flat angles P-C4'-P energy: -46.682 tors. eta vs tors. theta energy: -8.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1735.174355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.174355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.174355 (E_RNA) where: Base-Base interactions energy: -1217.420 where: short stacking energy: -516.230 Base-Backbone interact. energy: -0.835 local terms energy: -516.919758 where: bonds (distance) C4'-P energy: -92.850 bonds (distance) P-C4' energy: -102.651 flat angles C4'-P-C4' energy: -106.299 flat angles P-C4'-P energy: -74.526 tors. eta vs tors. theta energy: -140.594 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: 7 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1639.534377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.534377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.534377 (E_RNA) where: Base-Base interactions energy: -1150.639 where: short stacking energy: -457.503 Base-Backbone interact. energy: -2.586 local terms energy: -486.309654 where: bonds (distance) C4'-P energy: -95.770 bonds (distance) P-C4' energy: -108.684 flat angles C4'-P-C4' energy: -92.870 flat angles P-C4'-P energy: -69.113 tors. eta vs tors. theta energy: -119.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -1611.836913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.836913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.836913 (E_RNA) where: Base-Base interactions energy: -1097.288 where: short stacking energy: -494.012 Base-Backbone interact. energy: -2.846 local terms energy: -511.703144 where: bonds (distance) C4'-P energy: -94.417 bonds (distance) P-C4' energy: -96.012 flat angles C4'-P-C4' energy: -109.970 flat angles P-C4'-P energy: -69.149 tors. eta vs tors. theta energy: -142.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -1519.378783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.378783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.378783 (E_RNA) where: Base-Base interactions energy: -1036.989 where: short stacking energy: -445.936 Base-Backbone interact. energy: -2.364 local terms energy: -480.025302 where: bonds (distance) C4'-P energy: -91.070 bonds (distance) P-C4' energy: -97.655 flat angles C4'-P-C4' energy: -89.545 flat angles P-C4'-P energy: -71.702 tors. eta vs tors. theta energy: -130.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -1449.842171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.842171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.842171 (E_RNA) where: Base-Base interactions energy: -973.810 where: short stacking energy: -452.574 Base-Backbone interact. energy: -1.562 local terms energy: -474.469650 where: bonds (distance) C4'-P energy: -88.235 bonds (distance) P-C4' energy: -87.333 flat angles C4'-P-C4' energy: -104.927 flat angles P-C4'-P energy: -60.475 tors. eta vs tors. theta energy: -133.499 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: 8 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -1320.540440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.540440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.540440 (E_RNA) where: Base-Base interactions energy: -894.748 where: short stacking energy: -405.678 Base-Backbone interact. energy: -1.659 local terms energy: -424.132896 where: bonds (distance) C4'-P energy: -91.620 bonds (distance) P-C4' energy: -74.751 flat angles C4'-P-C4' energy: -95.361 flat angles P-C4'-P energy: -63.168 tors. eta vs tors. theta energy: -99.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -1088.992744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.992744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.992744 (E_RNA) where: Base-Base interactions energy: -720.412 where: short stacking energy: -314.563 Base-Backbone interact. energy: 2.244 local terms energy: -370.825685 where: bonds (distance) C4'-P energy: -81.900 bonds (distance) P-C4' energy: -80.716 flat angles C4'-P-C4' energy: -87.906 flat angles P-C4'-P energy: -51.925 tors. eta vs tors. theta energy: -68.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -991.168742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.168742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.168742 (E_RNA) where: Base-Base interactions energy: -650.531 where: short stacking energy: -287.690 Base-Backbone interact. energy: 5.703 local terms energy: -346.340712 where: bonds (distance) C4'-P energy: -73.556 bonds (distance) P-C4' energy: -95.940 flat angles C4'-P-C4' energy: -78.144 flat angles P-C4'-P energy: -42.880 tors. eta vs tors. theta energy: -55.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -815.791122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.791122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.791122 (E_RNA) where: Base-Base interactions energy: -500.697 where: short stacking energy: -235.388 Base-Backbone interact. energy: 2.462 local terms energy: -317.556527 where: bonds (distance) C4'-P energy: -76.279 bonds (distance) P-C4' energy: -84.225 flat angles C4'-P-C4' energy: -72.361 flat angles P-C4'-P energy: -51.096 tors. eta vs tors. theta energy: -33.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -479.414952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.414952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.414952 (E_RNA) where: Base-Base interactions energy: -208.065 where: short stacking energy: -139.442 Base-Backbone interact. energy: 2.906 local terms energy: -274.255349 where: bonds (distance) C4'-P energy: -60.916 bonds (distance) P-C4' energy: -81.735 flat angles C4'-P-C4' energy: -83.580 flat angles P-C4'-P energy: -50.798 tors. eta vs tors. theta energy: 2.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1733.583182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.583182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.583182 (E_RNA) where: Base-Base interactions energy: -1187.466 where: short stacking energy: -506.079 Base-Backbone interact. energy: -2.694 local terms energy: -543.423321 where: bonds (distance) C4'-P energy: -104.964 bonds (distance) P-C4' energy: -111.503 flat angles C4'-P-C4' energy: -106.276 flat angles P-C4'-P energy: -81.282 tors. eta vs tors. theta energy: -139.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1644.364647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.364647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.364647 (E_RNA) where: Base-Base interactions energy: -1139.122 where: short stacking energy: -512.251 Base-Backbone interact. energy: -4.357 local terms energy: -500.885363 where: bonds (distance) C4'-P energy: -90.860 bonds (distance) P-C4' energy: -87.839 flat angles C4'-P-C4' energy: -106.357 flat angles P-C4'-P energy: -77.872 tors. eta vs tors. theta energy: -137.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -1578.407307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.407307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.407307 (E_RNA) where: Base-Base interactions energy: -1115.422 where: short stacking energy: -442.127 Base-Backbone interact. energy: -0.242 local terms energy: -462.744168 where: bonds (distance) C4'-P energy: -96.290 bonds (distance) P-C4' energy: -81.595 flat angles C4'-P-C4' energy: -102.549 flat angles P-C4'-P energy: -74.793 tors. eta vs tors. theta energy: -107.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -1501.060799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.060799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.060799 (E_RNA) where: Base-Base interactions energy: -1025.173 where: short stacking energy: -474.625 Base-Backbone interact. energy: 0.827 local terms energy: -476.714978 where: bonds (distance) C4'-P energy: -88.311 bonds (distance) P-C4' energy: -83.039 flat angles C4'-P-C4' energy: -105.873 flat angles P-C4'-P energy: -59.650 tors. eta vs tors. theta energy: -139.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -1488.769065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.769065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.769065 (E_RNA) where: Base-Base interactions energy: -1028.076 where: short stacking energy: -440.007 Base-Backbone interact. energy: -1.420 local terms energy: -459.273194 where: bonds (distance) C4'-P energy: -86.517 bonds (distance) P-C4' energy: -85.137 flat angles C4'-P-C4' energy: -112.841 flat angles P-C4'-P energy: -63.203 tors. eta vs tors. theta energy: -111.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -1360.246993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.246993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.246993 (E_RNA) where: Base-Base interactions energy: -946.567 where: short stacking energy: -403.291 Base-Backbone interact. energy: -2.793 local terms energy: -410.887236 where: bonds (distance) C4'-P energy: -87.771 bonds (distance) P-C4' energy: -65.239 flat angles C4'-P-C4' energy: -90.883 flat angles P-C4'-P energy: -61.626 tors. eta vs tors. theta energy: -105.369 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: 7, replica: 3 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -1088.460711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.460711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.460711 (E_RNA) where: Base-Base interactions energy: -687.851 where: short stacking energy: -329.201 Base-Backbone interact. energy: -0.254 local terms energy: -400.355462 where: bonds (distance) C4'-P energy: -81.991 bonds (distance) P-C4' energy: -87.997 flat angles C4'-P-C4' energy: -94.338 flat angles P-C4'-P energy: -60.324 tors. eta vs tors. theta energy: -75.705 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: 8, replica: 10 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -986.187656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.187656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.187656 (E_RNA) where: Base-Base interactions energy: -615.646 where: short stacking energy: -286.680 Base-Backbone interact. energy: -1.280 local terms energy: -369.261814 where: bonds (distance) C4'-P energy: -70.367 bonds (distance) P-C4' energy: -101.429 flat angles C4'-P-C4' energy: -87.473 flat angles P-C4'-P energy: -50.609 tors. eta vs tors. theta energy: -59.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -838.506491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.506491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.506491 (E_RNA) where: Base-Base interactions energy: -539.850 where: short stacking energy: -234.167 Base-Backbone interact. energy: 2.779 local terms energy: -301.435802 where: bonds (distance) C4'-P energy: -75.250 bonds (distance) P-C4' energy: -83.754 flat angles C4'-P-C4' energy: -76.015 flat angles P-C4'-P energy: -36.833 tors. eta vs tors. theta energy: -29.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -501.570140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.570140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.570140 (E_RNA) where: Base-Base interactions energy: -226.462 where: short stacking energy: -150.641 Base-Backbone interact. energy: 7.819 local terms energy: -282.926698 where: bonds (distance) C4'-P energy: -83.215 bonds (distance) P-C4' energy: -90.492 flat angles C4'-P-C4' energy: -72.242 flat angles P-C4'-P energy: -38.698 tors. eta vs tors. theta energy: 1.720 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: 1, replica: 5 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1749.110784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.110784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.110784 (E_RNA) where: Base-Base interactions energy: -1202.608 where: short stacking energy: -513.644 Base-Backbone interact. energy: -1.404 local terms energy: -545.098537 where: bonds (distance) C4'-P energy: -99.185 bonds (distance) P-C4' energy: -111.410 flat angles C4'-P-C4' energy: -119.085 flat angles P-C4'-P energy: -78.197 tors. eta vs tors. theta energy: -137.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1663.823299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.823299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.823299 (E_RNA) where: Base-Base interactions energy: -1147.243 where: short stacking energy: -503.875 Base-Backbone interact. energy: -2.209 local terms energy: -514.371480 where: bonds (distance) C4'-P energy: -108.678 bonds (distance) P-C4' energy: -99.862 flat angles C4'-P-C4' energy: -102.517 flat angles P-C4'-P energy: -60.308 tors. eta vs tors. theta energy: -143.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -1573.066895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.066895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.066895 (E_RNA) where: Base-Base interactions energy: -1056.452 where: short stacking energy: -497.411 Base-Backbone interact. energy: -1.207 local terms energy: -515.408294 where: bonds (distance) C4'-P energy: -93.417 bonds (distance) P-C4' energy: -101.614 flat angles C4'-P-C4' energy: -107.139 flat angles P-C4'-P energy: -63.478 tors. eta vs tors. theta energy: -149.760 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: 82 Temperature: 1.050000 Total energy: -1516.857384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.857384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.857384 (E_RNA) where: Base-Base interactions energy: -1064.469 where: short stacking energy: -444.473 Base-Backbone interact. energy: -1.618 local terms energy: -450.770198 where: bonds (distance) C4'-P energy: -81.360 bonds (distance) P-C4' energy: -90.228 flat angles C4'-P-C4' energy: -95.281 flat angles P-C4'-P energy: -71.501 tors. eta vs tors. theta energy: -112.400 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: 1 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -1500.497671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.497671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.497671 (E_RNA) where: Base-Base interactions energy: -1042.103 where: short stacking energy: -438.765 Base-Backbone interact. energy: -1.867 local terms energy: -456.528411 where: bonds (distance) C4'-P energy: -88.656 bonds (distance) P-C4' energy: -83.580 flat angles C4'-P-C4' energy: -104.298 flat angles P-C4'-P energy: -59.522 tors. eta vs tors. theta energy: -120.472 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: 8 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -1347.813138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.813138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.813138 (E_RNA) where: Base-Base interactions energy: -924.887 where: short stacking energy: -398.884 Base-Backbone interact. energy: -2.830 local terms energy: -420.095578 where: bonds (distance) C4'-P energy: -78.210 bonds (distance) P-C4' energy: -86.493 flat angles C4'-P-C4' energy: -96.238 flat angles P-C4'-P energy: -59.841 tors. eta vs tors. theta energy: -99.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -1150.054911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.054911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.054911 (E_RNA) where: Base-Base interactions energy: -752.458 where: short stacking energy: -336.295 Base-Backbone interact. energy: -1.777 local terms energy: -395.820383 where: bonds (distance) C4'-P energy: -80.005 bonds (distance) P-C4' energy: -79.512 flat angles C4'-P-C4' energy: -101.183 flat angles P-C4'-P energy: -56.859 tors. eta vs tors. theta energy: -78.261 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: 82 Temperature: 1.250000 Total energy: -991.720693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.720693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.720693 (E_RNA) where: Base-Base interactions energy: -625.048 where: short stacking energy: -296.417 Base-Backbone interact. energy: -2.740 local terms energy: -363.933139 where: bonds (distance) C4'-P energy: -81.862 bonds (distance) P-C4' energy: -83.496 flat angles C4'-P-C4' energy: -79.797 flat angles P-C4'-P energy: -64.221 tors. eta vs tors. theta energy: -54.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -851.398720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.398720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.398720 (E_RNA) where: Base-Base interactions energy: -558.147 where: short stacking energy: -243.304 Base-Backbone interact. energy: -2.619 local terms energy: -290.632863 where: bonds (distance) C4'-P energy: -77.132 bonds (distance) P-C4' energy: -78.738 flat angles C4'-P-C4' energy: -63.720 flat angles P-C4'-P energy: -40.778 tors. eta vs tors. theta energy: -30.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -507.160354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.160354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.160354 (E_RNA) where: Base-Base interactions energy: -235.332 where: short stacking energy: -164.802 Base-Backbone interact. energy: 5.604 local terms energy: -277.431776 where: bonds (distance) C4'-P energy: -83.918 bonds (distance) P-C4' energy: -80.453 flat angles C4'-P-C4' energy: -74.672 flat angles P-C4'-P energy: -42.996 tors. eta vs tors. theta energy: 4.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1739.842465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.842465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.842465 (E_RNA) where: Base-Base interactions energy: -1225.781 where: short stacking energy: -532.154 Base-Backbone interact. energy: -1.663 local terms energy: -512.397599 where: bonds (distance) C4'-P energy: -107.044 bonds (distance) P-C4' energy: -93.634 flat angles C4'-P-C4' energy: -108.429 flat angles P-C4'-P energy: -65.024 tors. eta vs tors. theta energy: -138.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1646.671476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.671476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.671476 (E_RNA) where: Base-Base interactions energy: -1131.448 where: short stacking energy: -499.912 Base-Backbone interact. energy: -0.096 local terms energy: -515.127254 where: bonds (distance) C4'-P energy: -88.067 bonds (distance) P-C4' energy: -94.663 flat angles C4'-P-C4' energy: -116.135 flat angles P-C4'-P energy: -80.063 tors. eta vs tors. theta energy: -136.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -1536.688411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.688411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.688411 (E_RNA) where: Base-Base interactions energy: -1032.525 where: short stacking energy: -467.291 Base-Backbone interact. energy: -0.556 local terms energy: -503.607126 where: bonds (distance) C4'-P energy: -94.874 bonds (distance) P-C4' energy: -88.338 flat angles C4'-P-C4' energy: -107.281 flat angles P-C4'-P energy: -77.683 tors. eta vs tors. theta energy: -135.430 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: 1 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -1526.923819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.923819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.923819 (E_RNA) where: Base-Base interactions energy: -1062.569 where: short stacking energy: -437.828 Base-Backbone interact. energy: -2.817 local terms energy: -461.538224 where: bonds (distance) C4'-P energy: -95.374 bonds (distance) P-C4' energy: -95.853 flat angles C4'-P-C4' energy: -96.652 flat angles P-C4'-P energy: -60.400 tors. eta vs tors. theta energy: -113.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -1486.738881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.738881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.738881 (E_RNA) where: Base-Base interactions energy: -1041.449 where: short stacking energy: -442.520 Base-Backbone interact. energy: -1.485 local terms energy: -443.804941 where: bonds (distance) C4'-P energy: -91.596 bonds (distance) P-C4' energy: -92.780 flat angles C4'-P-C4' energy: -89.181 flat angles P-C4'-P energy: -60.183 tors. eta vs tors. theta energy: -110.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -1362.639640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.639640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.639640 (E_RNA) where: Base-Base interactions energy: -948.968 where: short stacking energy: -404.743 Base-Backbone interact. energy: -4.113 local terms energy: -409.558453 where: bonds (distance) C4'-P energy: -76.914 bonds (distance) P-C4' energy: -90.866 flat angles C4'-P-C4' energy: -87.288 flat angles P-C4'-P energy: -56.502 tors. eta vs tors. theta energy: -97.989 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: 3 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -1144.592742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.592742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.592742 (E_RNA) where: Base-Base interactions energy: -746.969 where: short stacking energy: -335.948 Base-Backbone interact. energy: 1.570 local terms energy: -399.194453 where: bonds (distance) C4'-P energy: -86.972 bonds (distance) P-C4' energy: -98.235 flat angles C4'-P-C4' energy: -75.766 flat angles P-C4'-P energy: -64.165 tors. eta vs tors. theta energy: -74.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -969.561981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.561981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.561981 (E_RNA) where: Base-Base interactions energy: -632.024 where: short stacking energy: -291.912 Base-Backbone interact. energy: -2.270 local terms energy: -335.268056 where: bonds (distance) C4'-P energy: -67.206 bonds (distance) P-C4' energy: -94.708 flat angles C4'-P-C4' energy: -70.859 flat angles P-C4'-P energy: -54.375 tors. eta vs tors. theta energy: -48.121 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: 2 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -882.900490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.900490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.900490 (E_RNA) where: Base-Base interactions energy: -569.235 where: short stacking energy: -258.853 Base-Backbone interact. energy: -2.156 local terms energy: -311.509910 where: bonds (distance) C4'-P energy: -69.535 bonds (distance) P-C4' energy: -79.420 flat angles C4'-P-C4' energy: -74.636 flat angles P-C4'-P energy: -45.070 tors. eta vs tors. theta energy: -42.849 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: 83 Temperature: 1.350000 Total energy: -568.567933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.567933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.567933 (E_RNA) where: Base-Base interactions energy: -294.411 where: short stacking energy: -156.532 Base-Backbone interact. energy: 1.707 local terms energy: -275.863721 where: bonds (distance) C4'-P energy: -72.424 bonds (distance) P-C4' energy: -80.736 flat angles C4'-P-C4' energy: -70.520 flat angles P-C4'-P energy: -55.550 tors. eta vs tors. theta energy: 3.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1727.763302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.763302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.763302 (E_RNA) where: Base-Base interactions energy: -1191.321 where: short stacking energy: -496.823 Base-Backbone interact. energy: 2.172 local terms energy: -538.614062 where: bonds (distance) C4'-P energy: -111.603 bonds (distance) P-C4' energy: -94.556 flat angles C4'-P-C4' energy: -107.449 flat angles P-C4'-P energy: -76.306 tors. eta vs tors. theta energy: -148.699 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: 9 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1629.949495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.949495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.949495 (E_RNA) where: Base-Base interactions energy: -1122.425 where: short stacking energy: -500.991 Base-Backbone interact. energy: -1.515 local terms energy: -506.009335 where: bonds (distance) C4'-P energy: -83.789 bonds (distance) P-C4' energy: -100.232 flat angles C4'-P-C4' energy: -111.177 flat angles P-C4'-P energy: -65.168 tors. eta vs tors. theta energy: -145.644 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: 3, replica: 1 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -1580.362818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.362818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.362818 (E_RNA) where: Base-Base interactions energy: -1094.680 where: short stacking energy: -441.027 Base-Backbone interact. energy: -2.286 local terms energy: -483.396613 where: bonds (distance) C4'-P energy: -88.335 bonds (distance) P-C4' energy: -95.889 flat angles C4'-P-C4' energy: -107.275 flat angles P-C4'-P energy: -72.255 tors. eta vs tors. theta energy: -119.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -1533.736008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.736008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.736008 (E_RNA) where: Base-Base interactions energy: -1022.832 where: short stacking energy: -479.589 Base-Backbone interact. energy: -0.444 local terms energy: -510.459948 where: bonds (distance) C4'-P energy: -97.973 bonds (distance) P-C4' energy: -98.873 flat angles C4'-P-C4' energy: -104.572 flat angles P-C4'-P energy: -71.854 tors. eta vs tors. theta energy: -137.188 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: 7 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -1457.347378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.347378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.347378 (E_RNA) where: Base-Base interactions energy: -1027.626 where: short stacking energy: -422.469 Base-Backbone interact. energy: -1.174 local terms energy: -428.547688 where: bonds (distance) C4'-P energy: -79.461 bonds (distance) P-C4' energy: -87.990 flat angles C4'-P-C4' energy: -103.940 flat angles P-C4'-P energy: -55.741 tors. eta vs tors. theta energy: -101.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -1351.641396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.641396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.641396 (E_RNA) where: Base-Base interactions energy: -950.933 where: short stacking energy: -398.770 Base-Backbone interact. energy: 5.325 local terms energy: -406.033420 where: bonds (distance) C4'-P energy: -88.053 bonds (distance) P-C4' energy: -67.342 flat angles C4'-P-C4' energy: -95.529 flat angles P-C4'-P energy: -52.831 tors. eta vs tors. theta energy: -102.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -1154.717755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.717755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.717755 (E_RNA) where: Base-Base interactions energy: -747.844 where: short stacking energy: -344.140 Base-Backbone interact. energy: -1.705 local terms energy: -405.169139 where: bonds (distance) C4'-P energy: -80.699 bonds (distance) P-C4' energy: -93.588 flat angles C4'-P-C4' energy: -87.942 flat angles P-C4'-P energy: -61.398 tors. eta vs tors. theta energy: -81.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -930.577636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.577636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.577636 (E_RNA) where: Base-Base interactions energy: -582.224 where: short stacking energy: -266.269 Base-Backbone interact. energy: -2.807 local terms energy: -345.547273 where: bonds (distance) C4'-P energy: -79.070 bonds (distance) P-C4' energy: -90.596 flat angles C4'-P-C4' energy: -90.560 flat angles P-C4'-P energy: -50.886 tors. eta vs tors. theta energy: -34.435 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: 2 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -914.277574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.277574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.277574 (E_RNA) where: Base-Base interactions energy: -590.323 where: short stacking energy: -275.782 Base-Backbone interact. energy: 1.938 local terms energy: -325.892687 where: bonds (distance) C4'-P energy: -63.523 bonds (distance) P-C4' energy: -83.302 flat angles C4'-P-C4' energy: -85.231 flat angles P-C4'-P energy: -41.697 tors. eta vs tors. theta energy: -52.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -579.988273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.988273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.988273 (E_RNA) where: Base-Base interactions energy: -301.391 where: short stacking energy: -170.880 Base-Backbone interact. energy: -2.995 local terms energy: -275.602384 where: bonds (distance) C4'-P energy: -81.773 bonds (distance) P-C4' energy: -78.282 flat angles C4'-P-C4' energy: -68.931 flat angles P-C4'-P energy: -39.734 tors. eta vs tors. theta energy: -6.882 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: 5 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1756.742178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.742178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.742178 (E_RNA) where: Base-Base interactions energy: -1228.773 where: short stacking energy: -532.755 Base-Backbone interact. energy: -3.350 local terms energy: -524.619931 where: bonds (distance) C4'-P energy: -90.120 bonds (distance) P-C4' energy: -95.586 flat angles C4'-P-C4' energy: -117.302 flat angles P-C4'-P energy: -74.503 tors. eta vs tors. theta energy: -147.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1649.257116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.257116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.257116 (E_RNA) where: Base-Base interactions energy: -1140.249 where: short stacking energy: -473.215 Base-Backbone interact. energy: -1.601 local terms energy: -507.406591 where: bonds (distance) C4'-P energy: -101.884 bonds (distance) P-C4' energy: -92.746 flat angles C4'-P-C4' energy: -102.894 flat angles P-C4'-P energy: -79.063 tors. eta vs tors. theta energy: -130.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1598.151159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.151159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.151159 (E_RNA) where: Base-Base interactions energy: -1106.600 where: short stacking energy: -496.739 Base-Backbone interact. energy: -0.732 local terms energy: -490.818316 where: bonds (distance) C4'-P energy: -82.317 bonds (distance) P-C4' energy: -89.688 flat angles C4'-P-C4' energy: -106.250 flat angles P-C4'-P energy: -70.256 tors. eta vs tors. theta energy: -142.307 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: 7 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -1545.164555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.164555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.164555 (E_RNA) where: Base-Base interactions energy: -1081.488 where: short stacking energy: -461.367 Base-Backbone interact. energy: -0.721 local terms energy: -462.955998 where: bonds (distance) C4'-P energy: -77.987 bonds (distance) P-C4' energy: -86.304 flat angles C4'-P-C4' energy: -106.301 flat angles P-C4'-P energy: -62.631 tors. eta vs tors. theta energy: -129.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -1469.118543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.118543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.118543 (E_RNA) where: Base-Base interactions energy: -1014.222 where: short stacking energy: -440.738 Base-Backbone interact. energy: -0.139 local terms energy: -454.757421 where: bonds (distance) C4'-P energy: -89.591 bonds (distance) P-C4' energy: -90.108 flat angles C4'-P-C4' energy: -97.506 flat angles P-C4'-P energy: -55.566 tors. eta vs tors. theta energy: -121.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -1341.940527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.940527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.940527 (E_RNA) where: Base-Base interactions energy: -913.000 where: short stacking energy: -425.252 Base-Backbone interact. energy: 2.718 local terms energy: -431.657910 where: bonds (distance) C4'-P energy: -96.331 bonds (distance) P-C4' energy: -79.077 flat angles C4'-P-C4' energy: -89.345 flat angles P-C4'-P energy: -64.011 tors. eta vs tors. theta energy: -102.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -1186.456130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.456130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.456130 (E_RNA) where: Base-Base interactions energy: -791.580 where: short stacking energy: -368.770 Base-Backbone interact. energy: -1.135 local terms energy: -393.741439 where: bonds (distance) C4'-P energy: -75.022 bonds (distance) P-C4' energy: -100.987 flat angles C4'-P-C4' energy: -102.021 flat angles P-C4'-P energy: -40.557 tors. eta vs tors. theta energy: -75.155 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: 2 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -960.663005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.663005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.663005 (E_RNA) where: Base-Base interactions energy: -610.644 where: short stacking energy: -282.330 Base-Backbone interact. energy: 0.750 local terms energy: -350.768698 where: bonds (distance) C4'-P energy: -61.823 bonds (distance) P-C4' energy: -101.545 flat angles C4'-P-C4' energy: -84.784 flat angles P-C4'-P energy: -48.734 tors. eta vs tors. theta energy: -53.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -927.524073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.524073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.524073 (E_RNA) where: Base-Base interactions energy: -615.667 where: short stacking energy: -274.094 Base-Backbone interact. energy: -0.606 local terms energy: -311.251676 where: bonds (distance) C4'-P energy: -84.200 bonds (distance) P-C4' energy: -66.470 flat angles C4'-P-C4' energy: -71.697 flat angles P-C4'-P energy: -54.904 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: 10, replica: 6 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -571.957233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.957233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.957233 (E_RNA) where: Base-Base interactions energy: -319.442 where: short stacking energy: -183.442 Base-Backbone interact. energy: 6.498 local terms energy: -259.013282 where: bonds (distance) C4'-P energy: -62.321 bonds (distance) P-C4' energy: -82.583 flat angles C4'-P-C4' energy: -65.327 flat angles P-C4'-P energy: -37.912 tors. eta vs tors. theta energy: -10.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1762.009610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.009610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.009610 (E_RNA) where: Base-Base interactions energy: -1247.066 where: short stacking energy: -522.925 Base-Backbone interact. energy: -1.884 local terms energy: -513.059450 where: bonds (distance) C4'-P energy: -92.376 bonds (distance) P-C4' energy: -100.808 flat angles C4'-P-C4' energy: -112.519 flat angles P-C4'-P energy: -68.267 tors. eta vs tors. theta energy: -139.090 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: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1661.014539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.014539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.014539 (E_RNA) where: Base-Base interactions energy: -1158.661 where: short stacking energy: -486.878 Base-Backbone interact. energy: -3.061 local terms energy: -499.292221 where: bonds (distance) C4'-P energy: -85.219 bonds (distance) P-C4' energy: -93.021 flat angles C4'-P-C4' energy: -108.498 flat angles P-C4'-P energy: -76.258 tors. eta vs tors. theta energy: -136.295 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: 3, replica: 9 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1610.365217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.365217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.365217 (E_RNA) where: Base-Base interactions energy: -1112.370 where: short stacking energy: -479.146 Base-Backbone interact. energy: -1.129 local terms energy: -496.866382 where: bonds (distance) C4'-P energy: -87.896 bonds (distance) P-C4' energy: -92.340 flat angles C4'-P-C4' energy: -104.412 flat angles P-C4'-P energy: -81.835 tors. eta vs tors. theta energy: -130.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -1529.966638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.966638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.966638 (E_RNA) where: Base-Base interactions energy: -1041.507 where: short stacking energy: -439.689 Base-Backbone interact. energy: -2.458 local terms energy: -486.000893 where: bonds (distance) C4'-P energy: -97.009 bonds (distance) P-C4' energy: -97.652 flat angles C4'-P-C4' energy: -95.113 flat angles P-C4'-P energy: -82.707 tors. eta vs tors. theta energy: -113.520 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: 4 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -1501.306890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.306890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.306890 (E_RNA) where: Base-Base interactions energy: -1029.858 where: short stacking energy: -475.026 Base-Backbone interact. energy: 0.004 local terms energy: -471.452404 where: bonds (distance) C4'-P energy: -80.923 bonds (distance) P-C4' energy: -93.830 flat angles C4'-P-C4' energy: -99.885 flat angles P-C4'-P energy: -63.501 tors. eta vs tors. theta energy: -133.312 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: 8 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -1361.706307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.706307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.706307 (E_RNA) where: Base-Base interactions energy: -932.984 where: short stacking energy: -400.347 Base-Backbone interact. energy: -3.609 local terms energy: -425.114007 where: bonds (distance) C4'-P energy: -70.825 bonds (distance) P-C4' energy: -86.000 flat angles C4'-P-C4' energy: -89.079 flat angles P-C4'-P energy: -75.281 tors. eta vs tors. theta energy: -103.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -1166.877372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.877372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.877372 (E_RNA) where: Base-Base interactions energy: -754.656 where: short stacking energy: -333.533 Base-Backbone interact. energy: -1.278 local terms energy: -410.942765 where: bonds (distance) C4'-P energy: -85.854 bonds (distance) P-C4' energy: -92.430 flat angles C4'-P-C4' energy: -96.904 flat angles P-C4'-P energy: -47.371 tors. eta vs tors. theta energy: -88.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -1021.757699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.757699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.757699 (E_RNA) where: Base-Base interactions energy: -662.117 where: short stacking energy: -304.060 Base-Backbone interact. energy: -1.930 local terms energy: -357.710368 where: bonds (distance) C4'-P energy: -74.994 bonds (distance) P-C4' energy: -83.242 flat angles C4'-P-C4' energy: -80.730 flat angles P-C4'-P energy: -52.576 tors. eta vs tors. theta energy: -66.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -934.276505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.276505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.276505 (E_RNA) where: Base-Base interactions energy: -573.691 where: short stacking energy: -249.352 Base-Backbone interact. energy: 0.708 local terms energy: -361.294205 where: bonds (distance) C4'-P energy: -78.406 bonds (distance) P-C4' energy: -105.042 flat angles C4'-P-C4' energy: -77.689 flat angles P-C4'-P energy: -64.318 tors. eta vs tors. theta energy: -35.839 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: 6 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -552.617621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.617621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.617621 (E_RNA) where: Base-Base interactions energy: -273.935 where: short stacking energy: -160.055 Base-Backbone interact. energy: 2.192 local terms energy: -280.874896 where: bonds (distance) C4'-P energy: -68.673 bonds (distance) P-C4' energy: -81.581 flat angles C4'-P-C4' energy: -78.999 flat angles P-C4'-P energy: -52.113 tors. eta vs tors. theta energy: 0.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1718.440440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.440440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.440440 (E_RNA) where: Base-Base interactions energy: -1193.122 where: short stacking energy: -494.539 Base-Backbone interact. energy: -2.170 local terms energy: -523.148874 where: bonds (distance) C4'-P energy: -94.422 bonds (distance) P-C4' energy: -108.678 flat angles C4'-P-C4' energy: -105.364 flat angles P-C4'-P energy: -74.677 tors. eta vs tors. theta energy: -140.008 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: 87 Temperature: 0.950000 Total energy: -1673.894173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.894173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.894173 (E_RNA) where: Base-Base interactions energy: -1138.011 where: short stacking energy: -485.155 Base-Backbone interact. energy: -1.773 local terms energy: -534.110204 where: bonds (distance) C4'-P energy: -106.521 bonds (distance) P-C4' energy: -110.279 flat angles C4'-P-C4' energy: -116.353 flat angles P-C4'-P energy: -71.036 tors. eta vs tors. theta energy: -129.922 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: 9 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1614.215311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.215311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.215311 (E_RNA) where: Base-Base interactions energy: -1118.187 where: short stacking energy: -497.288 Base-Backbone interact. energy: -0.445 local terms energy: -495.583703 where: bonds (distance) C4'-P energy: -93.115 bonds (distance) P-C4' energy: -97.035 flat angles C4'-P-C4' energy: -98.088 flat angles P-C4'-P energy: -72.009 tors. eta vs tors. theta energy: -135.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -1539.807025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.807025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.807025 (E_RNA) where: Base-Base interactions energy: -1041.912 where: short stacking energy: -484.187 Base-Backbone interact. energy: -2.972 local terms energy: -494.923290 where: bonds (distance) C4'-P energy: -84.386 bonds (distance) P-C4' energy: -99.636 flat angles C4'-P-C4' energy: -102.008 flat angles P-C4'-P energy: -75.933 tors. eta vs tors. theta energy: -132.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -1505.843429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.843429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.843429 (E_RNA) where: Base-Base interactions energy: -1065.482 where: short stacking energy: -417.859 Base-Backbone interact. energy: -6.716 local terms energy: -433.645940 where: bonds (distance) C4'-P energy: -72.064 bonds (distance) P-C4' energy: -81.252 flat angles C4'-P-C4' energy: -94.498 flat angles P-C4'-P energy: -67.853 tors. eta vs tors. theta energy: -117.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -1395.515465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.515465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.515465 (E_RNA) where: Base-Base interactions energy: -964.315 where: short stacking energy: -427.229 Base-Backbone interact. energy: -2.444 local terms energy: -428.756275 where: bonds (distance) C4'-P energy: -68.375 bonds (distance) P-C4' energy: -97.947 flat angles C4'-P-C4' energy: -89.641 flat angles P-C4'-P energy: -63.090 tors. eta vs tors. theta energy: -109.703 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: 7, replica: 3 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -1180.250127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.250127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.250127 (E_RNA) where: Base-Base interactions energy: -791.429 where: short stacking energy: -348.319 Base-Backbone interact. energy: -3.500 local terms energy: -385.320823 where: bonds (distance) C4'-P energy: -86.780 bonds (distance) P-C4' energy: -69.949 flat angles C4'-P-C4' energy: -88.479 flat angles P-C4'-P energy: -67.507 tors. eta vs tors. theta energy: -72.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -954.324362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.324362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.324362 (E_RNA) where: Base-Base interactions energy: -622.832 where: short stacking energy: -286.715 Base-Backbone interact. energy: -0.485 local terms energy: -331.006932 where: bonds (distance) C4'-P energy: -72.518 bonds (distance) P-C4' energy: -88.653 flat angles C4'-P-C4' energy: -71.099 flat angles P-C4'-P energy: -43.658 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: 9, replica: 10 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -956.079716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.079716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.079716 (E_RNA) where: Base-Base interactions energy: -629.386 where: short stacking energy: -281.548 Base-Backbone interact. energy: 3.176 local terms energy: -329.869409 where: bonds (distance) C4'-P energy: -68.206 bonds (distance) P-C4' energy: -80.732 flat angles C4'-P-C4' energy: -89.051 flat angles P-C4'-P energy: -41.746 tors. eta vs tors. theta energy: -50.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -607.942799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.942799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.942799 (E_RNA) where: Base-Base interactions energy: -318.675 where: short stacking energy: -167.370 Base-Backbone interact. energy: -0.922 local terms energy: -288.345558 where: bonds (distance) C4'-P energy: -73.578 bonds (distance) P-C4' energy: -81.471 flat angles C4'-P-C4' energy: -89.112 flat angles P-C4'-P energy: -35.622 tors. eta vs tors. theta energy: -8.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1742.731901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.731901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.731901 (E_RNA) where: Base-Base interactions energy: -1210.295 where: short stacking energy: -517.128 Base-Backbone interact. energy: -3.036 local terms energy: -529.400798 where: bonds (distance) C4'-P energy: -101.867 bonds (distance) P-C4' energy: -93.678 flat angles C4'-P-C4' energy: -118.297 flat angles P-C4'-P energy: -76.491 tors. eta vs tors. theta energy: -139.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -1619.317689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.317689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.317689 (E_RNA) where: Base-Base interactions energy: -1121.518 where: short stacking energy: -461.943 Base-Backbone interact. energy: -2.552 local terms energy: -495.247177 where: bonds (distance) C4'-P energy: -108.243 bonds (distance) P-C4' energy: -94.843 flat angles C4'-P-C4' energy: -100.043 flat angles P-C4'-P energy: -74.501 tors. eta vs tors. theta energy: -117.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1597.168300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.168300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.168300 (E_RNA) where: Base-Base interactions energy: -1106.964 where: short stacking energy: -486.044 Base-Backbone interact. energy: -1.675 local terms energy: -488.529199 where: bonds (distance) C4'-P energy: -79.407 bonds (distance) P-C4' energy: -97.980 flat angles C4'-P-C4' energy: -107.420 flat angles P-C4'-P energy: -71.559 tors. eta vs tors. theta energy: -132.163 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: 4, replica: 4 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -1531.636460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.636460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.636460 (E_RNA) where: Base-Base interactions energy: -1043.437 where: short stacking energy: -490.384 Base-Backbone interact. energy: 2.463 local terms energy: -490.662302 where: bonds (distance) C4'-P energy: -93.869 bonds (distance) P-C4' energy: -89.412 flat angles C4'-P-C4' energy: -102.472 flat angles P-C4'-P energy: -72.213 tors. eta vs tors. theta energy: -132.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -1521.879272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.879272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.879272 (E_RNA) where: Base-Base interactions energy: -1051.896 where: short stacking energy: -422.259 Base-Backbone interact. energy: -2.908 local terms energy: -467.075844 where: bonds (distance) C4'-P energy: -93.709 bonds (distance) P-C4' energy: -92.365 flat angles C4'-P-C4' energy: -95.919 flat angles P-C4'-P energy: -67.686 tors. eta vs tors. theta energy: -117.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -1395.006274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.006274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.006274 (E_RNA) where: Base-Base interactions energy: -949.953 where: short stacking energy: -418.353 Base-Backbone interact. energy: -3.060 local terms energy: -441.992633 where: bonds (distance) C4'-P energy: -69.918 bonds (distance) P-C4' energy: -91.496 flat angles C4'-P-C4' energy: -97.964 flat angles P-C4'-P energy: -68.802 tors. eta vs tors. theta energy: -113.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -1186.955009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.955009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.955009 (E_RNA) where: Base-Base interactions energy: -805.802 where: short stacking energy: -364.335 Base-Backbone interact. energy: -1.202 local terms energy: -379.951483 where: bonds (distance) C4'-P energy: -91.365 bonds (distance) P-C4' energy: -73.531 flat angles C4'-P-C4' energy: -93.942 flat angles P-C4'-P energy: -46.063 tors. eta vs tors. theta energy: -75.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -973.005638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.005638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.005638 (E_RNA) where: Base-Base interactions energy: -633.711 where: short stacking energy: -276.640 Base-Backbone interact. energy: 4.294 local terms energy: -343.589430 where: bonds (distance) C4'-P energy: -79.827 bonds (distance) P-C4' energy: -79.557 flat angles C4'-P-C4' energy: -78.152 flat angles P-C4'-P energy: -59.952 tors. eta vs tors. theta energy: -46.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -925.801837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.801837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.801837 (E_RNA) where: Base-Base interactions energy: -599.083 where: short stacking energy: -276.484 Base-Backbone interact. energy: 2.876 local terms energy: -329.595115 where: bonds (distance) C4'-P energy: -88.004 bonds (distance) P-C4' energy: -71.021 flat angles C4'-P-C4' energy: -75.650 flat angles P-C4'-P energy: -51.022 tors. eta vs tors. theta energy: -43.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -568.288670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.288670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.288670 (E_RNA) where: Base-Base interactions energy: -282.748 where: short stacking energy: -178.730 Base-Backbone interact. energy: 8.887 local terms energy: -294.427939 where: bonds (distance) C4'-P energy: -77.233 bonds (distance) P-C4' energy: -83.715 flat angles C4'-P-C4' energy: -66.995 flat angles P-C4'-P energy: -54.039 tors. eta vs tors. theta energy: -12.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -1750.006147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.006147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.006147 (E_RNA) where: Base-Base interactions energy: -1222.591 where: short stacking energy: -506.326 Base-Backbone interact. energy: -1.974 local terms energy: -525.441688 where: bonds (distance) C4'-P energy: -84.689 bonds (distance) P-C4' energy: -106.157 flat angles C4'-P-C4' energy: -106.656 flat angles P-C4'-P energy: -80.251 tors. eta vs tors. theta energy: -147.689 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: 1 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1628.968740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.968740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.968740 (E_RNA) where: Base-Base interactions energy: -1125.587 where: short stacking energy: -486.146 Base-Backbone interact. energy: -2.192 local terms energy: -501.190215 where: bonds (distance) C4'-P energy: -91.350 bonds (distance) P-C4' energy: -102.577 flat angles C4'-P-C4' energy: -99.417 flat angles P-C4'-P energy: -72.743 tors. eta vs tors. theta energy: -135.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -1575.116276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.116276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.116276 (E_RNA) where: Base-Base interactions energy: -1076.002 where: short stacking energy: -479.563 Base-Backbone interact. energy: -3.112 local terms energy: -496.002549 where: bonds (distance) C4'-P energy: -77.571 bonds (distance) P-C4' energy: -92.875 flat angles C4'-P-C4' energy: -109.328 flat angles P-C4'-P energy: -71.955 tors. eta vs tors. theta energy: -144.273 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: 89 Temperature: 1.050000 Total energy: -1529.566561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1529.566561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1529.566561 (E_RNA) where: Base-Base interactions energy: -1038.653 where: short stacking energy: -487.248 Base-Backbone interact. energy: 0.591 local terms energy: -491.504581 where: bonds (distance) C4'-P energy: -83.003 bonds (distance) P-C4' energy: -101.224 flat angles C4'-P-C4' energy: -98.685 flat angles P-C4'-P energy: -76.532 tors. eta vs tors. theta energy: -132.061 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: 7 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -1495.896982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.896982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.896982 (E_RNA) where: Base-Base interactions energy: -1027.018 where: short stacking energy: -430.515 Base-Backbone interact. energy: -2.912 local terms energy: -465.967591 where: bonds (distance) C4'-P energy: -97.228 bonds (distance) P-C4' energy: -86.029 flat angles C4'-P-C4' energy: -107.510 flat angles P-C4'-P energy: -63.328 tors. eta vs tors. theta energy: -111.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -1374.467107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.467107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.467107 (E_RNA) where: Base-Base interactions energy: -949.596 where: short stacking energy: -398.126 Base-Backbone interact. energy: -3.165 local terms energy: -421.706364 where: bonds (distance) C4'-P energy: -80.373 bonds (distance) P-C4' energy: -92.108 flat angles C4'-P-C4' energy: -90.485 flat angles P-C4'-P energy: -58.519 tors. eta vs tors. theta energy: -100.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -1173.080596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.080596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.080596 (E_RNA) where: Base-Base interactions energy: -774.629 where: short stacking energy: -338.094 Base-Backbone interact. energy: -2.006 local terms energy: -396.445767 where: bonds (distance) C4'-P energy: -85.843 bonds (distance) P-C4' energy: -82.169 flat angles C4'-P-C4' energy: -90.230 flat angles P-C4'-P energy: -57.934 tors. eta vs tors. theta energy: -80.270 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: 2 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -985.674635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.674635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.674635 (E_RNA) where: Base-Base interactions energy: -662.311 where: short stacking energy: -277.778 Base-Backbone interact. energy: -0.744 local terms energy: -322.619892 where: bonds (distance) C4'-P energy: -81.120 bonds (distance) P-C4' energy: -82.039 flat angles C4'-P-C4' energy: -78.964 flat angles P-C4'-P energy: -44.717 tors. eta vs tors. theta energy: -35.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -839.027828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.027828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.027828 (E_RNA) where: Base-Base interactions energy: -517.581 where: short stacking energy: -247.313 Base-Backbone interact. energy: -3.572 local terms energy: -317.874486 where: bonds (distance) C4'-P energy: -83.490 bonds (distance) P-C4' energy: -70.168 flat angles C4'-P-C4' energy: -73.030 flat angles P-C4'-P energy: -49.237 tors. eta vs tors. theta energy: -41.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -572.775534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.775534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.775534 (E_RNA) where: Base-Base interactions energy: -287.559 where: short stacking energy: -149.543 Base-Backbone interact. energy: 0.564 local terms energy: -285.780321 where: bonds (distance) C4'-P energy: -94.226 bonds (distance) P-C4' energy: -86.297 flat angles C4'-P-C4' energy: -63.921 flat angles P-C4'-P energy: -20.961 tors. eta vs tors. theta energy: -20.375 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: 5 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1738.138349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.138349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.138349 (E_RNA) where: Base-Base interactions energy: -1240.254 where: short stacking energy: -535.253 Base-Backbone interact. energy: 2.849 local terms energy: -500.733975 where: bonds (distance) C4'-P energy: -90.924 bonds (distance) P-C4' energy: -89.759 flat angles C4'-P-C4' energy: -106.713 flat angles P-C4'-P energy: -73.809 tors. eta vs tors. theta energy: -139.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1637.833061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.833061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.833061 (E_RNA) where: Base-Base interactions energy: -1128.856 where: short stacking energy: -464.498 Base-Backbone interact. energy: 0.011 local terms energy: -508.988409 where: bonds (distance) C4'-P energy: -98.807 bonds (distance) P-C4' energy: -92.730 flat angles C4'-P-C4' energy: -110.699 flat angles P-C4'-P energy: -76.136 tors. eta vs tors. theta energy: -130.615 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: 9 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -1587.488232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.488232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.488232 (E_RNA) where: Base-Base interactions energy: -1109.435 where: short stacking energy: -491.062 Base-Backbone interact. energy: 0.281 local terms energy: -478.334112 where: bonds (distance) C4'-P energy: -78.750 bonds (distance) P-C4' energy: -96.131 flat angles C4'-P-C4' energy: -100.346 flat angles P-C4'-P energy: -65.142 tors. eta vs tors. theta energy: -137.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -1547.815147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.815147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.815147 (E_RNA) where: Base-Base interactions energy: -1053.073 where: short stacking energy: -468.500 Base-Backbone interact. energy: -1.786 local terms energy: -492.956484 where: bonds (distance) C4'-P energy: -88.296 bonds (distance) P-C4' energy: -93.930 flat angles C4'-P-C4' energy: -107.114 flat angles P-C4'-P energy: -65.490 tors. eta vs tors. theta energy: -138.126 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: 90 Temperature: 1.100000 Total energy: -1462.925001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.925001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.925001 (E_RNA) where: Base-Base interactions energy: -999.562 where: short stacking energy: -419.529 Base-Backbone interact. energy: -3.169 local terms energy: -460.194277 where: bonds (distance) C4'-P energy: -95.485 bonds (distance) P-C4' energy: -95.895 flat angles C4'-P-C4' energy: -100.945 flat angles P-C4'-P energy: -59.328 tors. eta vs tors. theta energy: -108.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -1374.120021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.120021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.120021 (E_RNA) where: Base-Base interactions energy: -972.593 where: short stacking energy: -393.975 Base-Backbone interact. energy: -0.599 local terms energy: -400.927390 where: bonds (distance) C4'-P energy: -88.478 bonds (distance) P-C4' energy: -77.176 flat angles C4'-P-C4' energy: -90.935 flat angles P-C4'-P energy: -45.879 tors. eta vs tors. theta energy: -98.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -1208.642986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.642986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.642986 (E_RNA) where: Base-Base interactions energy: -797.897 where: short stacking energy: -323.052 Base-Backbone interact. energy: -3.492 local terms energy: -407.254211 where: bonds (distance) C4'-P energy: -79.647 bonds (distance) P-C4' energy: -86.354 flat angles C4'-P-C4' energy: -87.757 flat angles P-C4'-P energy: -69.409 tors. eta vs tors. theta energy: -84.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -1021.277208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.277208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.277208 (E_RNA) where: Base-Base interactions energy: -667.988 where: short stacking energy: -306.358 Base-Backbone interact. energy: 7.680 local terms energy: -360.969673 where: bonds (distance) C4'-P energy: -84.500 bonds (distance) P-C4' energy: -77.599 flat angles C4'-P-C4' energy: -88.839 flat angles P-C4'-P energy: -63.006 tors. eta vs tors. theta energy: -47.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -809.657687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.657687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.657687 (E_RNA) where: Base-Base interactions energy: -508.444 where: short stacking energy: -223.835 Base-Backbone interact. energy: 1.657 local terms energy: -302.871513 where: bonds (distance) C4'-P energy: -67.650 bonds (distance) P-C4' energy: -94.221 flat angles C4'-P-C4' energy: -80.629 flat angles P-C4'-P energy: -37.484 tors. eta vs tors. theta energy: -22.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -501.318751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.318751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.318751 (E_RNA) where: Base-Base interactions energy: -202.856 where: short stacking energy: -145.284 Base-Backbone interact. energy: -1.341 local terms energy: -297.121759 where: bonds (distance) C4'-P energy: -92.564 bonds (distance) P-C4' energy: -75.014 flat angles C4'-P-C4' energy: -86.238 flat angles P-C4'-P energy: -45.826 tors. eta vs tors. theta energy: 2.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1739.881927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.881927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.881927 (E_RNA) where: Base-Base interactions energy: -1215.764 where: short stacking energy: -506.114 Base-Backbone interact. energy: -0.623 local terms energy: -523.495241 where: bonds (distance) C4'-P energy: -98.831 bonds (distance) P-C4' energy: -95.419 flat angles C4'-P-C4' energy: -111.134 flat angles P-C4'-P energy: -75.793 tors. eta vs tors. theta energy: -142.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1637.750720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.750720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.750720 (E_RNA) where: Base-Base interactions energy: -1114.301 where: short stacking energy: -503.248 Base-Backbone interact. energy: -1.290 local terms energy: -522.159982 where: bonds (distance) C4'-P energy: -105.508 bonds (distance) P-C4' energy: -91.887 flat angles C4'-P-C4' energy: -111.883 flat angles P-C4'-P energy: -70.573 tors. eta vs tors. theta energy: -142.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -1593.948605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.948605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.948605 (E_RNA) where: Base-Base interactions energy: -1082.564 where: short stacking energy: -453.340 Base-Backbone interact. energy: -1.454 local terms energy: -509.930529 where: bonds (distance) C4'-P energy: -98.899 bonds (distance) P-C4' energy: -100.937 flat angles C4'-P-C4' energy: -112.101 flat angles P-C4'-P energy: -71.471 tors. eta vs tors. theta energy: -126.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -1543.881664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.881664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.881664 (E_RNA) where: Base-Base interactions energy: -1036.184 where: short stacking energy: -485.697 Base-Backbone interact. energy: -0.372 local terms energy: -507.325347 where: bonds (distance) C4'-P energy: -84.592 bonds (distance) P-C4' energy: -91.698 flat angles C4'-P-C4' energy: -115.966 flat angles P-C4'-P energy: -70.056 tors. eta vs tors. theta energy: -145.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -1407.941997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.941997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.941997 (E_RNA) where: Base-Base interactions energy: -974.166 where: short stacking energy: -386.330 Base-Backbone interact. energy: -0.037 local terms energy: -433.739136 where: bonds (distance) C4'-P energy: -96.086 bonds (distance) P-C4' energy: -80.292 flat angles C4'-P-C4' energy: -95.025 flat angles P-C4'-P energy: -63.977 tors. eta vs tors. theta energy: -98.359 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: 8 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -1354.311327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.311327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.311327 (E_RNA) where: Base-Base interactions energy: -935.351 where: short stacking energy: -398.749 Base-Backbone interact. energy: -1.306 local terms energy: -417.654824 where: bonds (distance) C4'-P energy: -89.930 bonds (distance) P-C4' energy: -86.308 flat angles C4'-P-C4' energy: -96.963 flat angles P-C4'-P energy: -56.138 tors. eta vs tors. theta energy: -88.315 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: 3 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -1154.852561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.852561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.852561 (E_RNA) where: Base-Base interactions energy: -752.600 where: short stacking energy: -348.505 Base-Backbone interact. energy: -2.526 local terms energy: -399.726806 where: bonds (distance) C4'-P energy: -86.250 bonds (distance) P-C4' energy: -74.990 flat angles C4'-P-C4' energy: -92.825 flat angles P-C4'-P energy: -66.812 tors. eta vs tors. theta energy: -78.851 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: 2 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -1038.267639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.267639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.267639 (E_RNA) where: Base-Base interactions energy: -694.711 where: short stacking energy: -290.551 Base-Backbone interact. energy: 2.421 local terms energy: -345.977682 where: bonds (distance) C4'-P energy: -97.509 bonds (distance) P-C4' energy: -69.571 flat angles C4'-P-C4' energy: -82.146 flat angles P-C4'-P energy: -41.785 tors. eta vs tors. theta energy: -54.967 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: 9, replica: 10 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -834.002579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.002579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.002579 (E_RNA) where: Base-Base interactions energy: -519.363 where: short stacking energy: -246.697 Base-Backbone interact. energy: -0.118 local terms energy: -314.521534 where: bonds (distance) C4'-P energy: -65.961 bonds (distance) P-C4' energy: -88.828 flat angles C4'-P-C4' energy: -81.672 flat angles P-C4'-P energy: -41.744 tors. eta vs tors. theta energy: -36.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -486.274003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.274003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.274003 (E_RNA) where: Base-Base interactions energy: -236.371 where: short stacking energy: -115.526 Base-Backbone interact. energy: -4.156 local terms energy: -245.746524 where: bonds (distance) C4'-P energy: -75.015 bonds (distance) P-C4' energy: -73.570 flat angles C4'-P-C4' energy: -61.105 flat angles P-C4'-P energy: -43.783 tors. eta vs tors. theta energy: 7.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1756.446877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.446877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.446877 (E_RNA) where: Base-Base interactions energy: -1234.163 where: short stacking energy: -532.288 Base-Backbone interact. energy: -5.290 local terms energy: -516.993184 where: bonds (distance) C4'-P energy: -89.719 bonds (distance) P-C4' energy: -94.858 flat angles C4'-P-C4' energy: -117.065 flat angles P-C4'-P energy: -78.433 tors. eta vs tors. theta energy: -136.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1619.268322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.268322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.268322 (E_RNA) where: Base-Base interactions energy: -1110.470 where: short stacking energy: -494.221 Base-Backbone interact. energy: -1.280 local terms energy: -507.518223 where: bonds (distance) C4'-P energy: -97.766 bonds (distance) P-C4' energy: -86.458 flat angles C4'-P-C4' energy: -109.390 flat angles P-C4'-P energy: -79.791 tors. eta vs tors. theta energy: -134.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -1579.629938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.629938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.629938 (E_RNA) where: Base-Base interactions energy: -1096.571 where: short stacking energy: -471.205 Base-Backbone interact. energy: 0.292 local terms energy: -483.350873 where: bonds (distance) C4'-P energy: -86.242 bonds (distance) P-C4' energy: -95.963 flat angles C4'-P-C4' energy: -105.318 flat angles P-C4'-P energy: -67.117 tors. eta vs tors. theta energy: -128.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -1531.993298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.993298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.993298 (E_RNA) where: Base-Base interactions energy: -1020.737 where: short stacking energy: -480.695 Base-Backbone interact. energy: -1.945 local terms energy: -509.311514 where: bonds (distance) C4'-P energy: -83.934 bonds (distance) P-C4' energy: -91.293 flat angles C4'-P-C4' energy: -113.895 flat angles P-C4'-P energy: -72.918 tors. eta vs tors. theta energy: -147.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -1434.606753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.606753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.606753 (E_RNA) where: Base-Base interactions energy: -984.589 where: short stacking energy: -417.526 Base-Backbone interact. energy: -3.562 local terms energy: -446.456231 where: bonds (distance) C4'-P energy: -87.677 bonds (distance) P-C4' energy: -89.821 flat angles C4'-P-C4' energy: -94.541 flat angles P-C4'-P energy: -65.669 tors. eta vs tors. theta energy: -108.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -1351.139946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.139946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.139946 (E_RNA) where: Base-Base interactions energy: -937.773 where: short stacking energy: -403.722 Base-Backbone interact. energy: 0.739 local terms energy: -414.106388 where: bonds (distance) C4'-P energy: -72.778 bonds (distance) P-C4' energy: -82.367 flat angles C4'-P-C4' energy: -88.033 flat angles P-C4'-P energy: -68.991 tors. eta vs tors. theta energy: -101.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -1211.708484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.708484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.708484 (E_RNA) where: Base-Base interactions energy: -810.647 where: short stacking energy: -364.991 Base-Backbone interact. energy: -2.468 local terms energy: -398.593461 where: bonds (distance) C4'-P energy: -78.031 bonds (distance) P-C4' energy: -80.482 flat angles C4'-P-C4' energy: -93.676 flat angles P-C4'-P energy: -62.195 tors. eta vs tors. theta energy: -84.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -1041.615488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.615488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.615488 (E_RNA) where: Base-Base interactions energy: -685.834 where: short stacking energy: -324.737 Base-Backbone interact. energy: 3.322 local terms energy: -359.104119 where: bonds (distance) C4'-P energy: -88.945 bonds (distance) P-C4' energy: -73.712 flat angles C4'-P-C4' energy: -77.455 flat angles P-C4'-P energy: -54.594 tors. eta vs tors. theta energy: -64.399 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: 9, replica: 10 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -855.681377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.681377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.681377 (E_RNA) where: Base-Base interactions energy: -546.228 where: short stacking energy: -248.462 Base-Backbone interact. energy: 0.117 local terms energy: -309.570282 where: bonds (distance) C4'-P energy: -60.813 bonds (distance) P-C4' energy: -91.911 flat angles C4'-P-C4' energy: -79.048 flat angles P-C4'-P energy: -44.666 tors. eta vs tors. theta energy: -33.132 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: 92 Temperature: 1.350000 Total energy: -501.061323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.061323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.061323 (E_RNA) where: Base-Base interactions energy: -215.581 where: short stacking energy: -162.443 Base-Backbone interact. energy: -1.568 local terms energy: -283.912124 where: bonds (distance) C4'-P energy: -76.979 bonds (distance) P-C4' energy: -86.432 flat angles C4'-P-C4' energy: -74.380 flat angles P-C4'-P energy: -33.864 tors. eta vs tors. theta energy: -12.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1781.880730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.880730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.880730 (E_RNA) where: Base-Base interactions energy: -1250.875 where: short stacking energy: -538.056 Base-Backbone interact. energy: -2.777 local terms energy: -528.228479 where: bonds (distance) C4'-P energy: -89.730 bonds (distance) P-C4' energy: -93.597 flat angles C4'-P-C4' energy: -116.320 flat angles P-C4'-P energy: -80.205 tors. eta vs tors. theta energy: -148.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1639.051063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.051063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.051063 (E_RNA) where: Base-Base interactions energy: -1137.693 where: short stacking energy: -515.882 Base-Backbone interact. energy: -0.189 local terms energy: -501.168817 where: bonds (distance) C4'-P energy: -95.122 bonds (distance) P-C4' energy: -87.603 flat angles C4'-P-C4' energy: -104.016 flat angles P-C4'-P energy: -71.264 tors. eta vs tors. theta energy: -143.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -1592.857690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.857690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.857690 (E_RNA) where: Base-Base interactions energy: -1086.194 where: short stacking energy: -476.229 Base-Backbone interact. energy: -2.043 local terms energy: -504.620834 where: bonds (distance) C4'-P energy: -100.054 bonds (distance) P-C4' energy: -97.848 flat angles C4'-P-C4' energy: -100.763 flat angles P-C4'-P energy: -69.466 tors. eta vs tors. theta energy: -136.490 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: 7 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -1513.961072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.961072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.961072 (E_RNA) where: Base-Base interactions energy: -1059.830 where: short stacking energy: -449.050 Base-Backbone interact. energy: -2.921 local terms energy: -451.209724 where: bonds (distance) C4'-P energy: -76.616 bonds (distance) P-C4' energy: -87.135 flat angles C4'-P-C4' energy: -106.220 flat angles P-C4'-P energy: -74.754 tors. eta vs tors. theta energy: -106.485 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: 4 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -1477.235252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1477.235252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1477.235252 (E_RNA) where: Base-Base interactions energy: -1005.888 where: short stacking energy: -464.214 Base-Backbone interact. energy: -1.490 local terms energy: -469.857442 where: bonds (distance) C4'-P energy: -95.499 bonds (distance) P-C4' energy: -86.416 flat angles C4'-P-C4' energy: -95.731 flat angles P-C4'-P energy: -66.917 tors. eta vs tors. theta energy: -125.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -1413.016490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.016490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.016490 (E_RNA) where: Base-Base interactions energy: -988.709 where: short stacking energy: -412.718 Base-Backbone interact. energy: 2.832 local terms energy: -427.139463 where: bonds (distance) C4'-P energy: -72.218 bonds (distance) P-C4' energy: -96.053 flat angles C4'-P-C4' energy: -90.324 flat angles P-C4'-P energy: -61.989 tors. eta vs tors. theta energy: -106.555 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: 7, replica: 3 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -1202.721081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.721081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.721081 (E_RNA) where: Base-Base interactions energy: -799.291 where: short stacking energy: -348.217 Base-Backbone interact. energy: 2.304 local terms energy: -405.734784 where: bonds (distance) C4'-P energy: -85.435 bonds (distance) P-C4' energy: -86.532 flat angles C4'-P-C4' energy: -91.833 flat angles P-C4'-P energy: -59.767 tors. eta vs tors. theta energy: -82.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -945.347270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.347270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.347270 (E_RNA) where: Base-Base interactions energy: -606.355 where: short stacking energy: -278.057 Base-Backbone interact. energy: -1.649 local terms energy: -337.343298 where: bonds (distance) C4'-P energy: -85.351 bonds (distance) P-C4' energy: -85.562 flat angles C4'-P-C4' energy: -79.538 flat angles P-C4'-P energy: -36.569 tors. eta vs tors. theta energy: -50.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -871.944798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.944798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.944798 (E_RNA) where: Base-Base interactions energy: -551.391 where: short stacking energy: -247.325 Base-Backbone interact. energy: 6.849 local terms energy: -327.402529 where: bonds (distance) C4'-P energy: -75.052 bonds (distance) P-C4' energy: -80.352 flat angles C4'-P-C4' energy: -78.751 flat angles P-C4'-P energy: -54.189 tors. eta vs tors. theta energy: -39.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -490.527388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.527388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.527388 (E_RNA) where: Base-Base interactions energy: -236.583 where: short stacking energy: -146.969 Base-Backbone interact. energy: 9.533 local terms energy: -263.477321 where: bonds (distance) C4'-P energy: -66.757 bonds (distance) P-C4' energy: -91.526 flat angles C4'-P-C4' energy: -79.945 flat angles P-C4'-P energy: -38.191 tors. eta vs tors. theta energy: 12.942 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: 5 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1774.102845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.102845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.102845 (E_RNA) where: Base-Base interactions energy: -1252.708 where: short stacking energy: -532.306 Base-Backbone interact. energy: -2.599 local terms energy: -518.795711 where: bonds (distance) C4'-P energy: -93.722 bonds (distance) P-C4' energy: -106.355 flat angles C4'-P-C4' energy: -107.962 flat angles P-C4'-P energy: -64.275 tors. eta vs tors. theta energy: -146.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1641.634042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.634042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.634042 (E_RNA) where: Base-Base interactions energy: -1129.376 where: short stacking energy: -519.683 Base-Backbone interact. energy: -2.755 local terms energy: -509.502817 where: bonds (distance) C4'-P energy: -85.561 bonds (distance) P-C4' energy: -100.364 flat angles C4'-P-C4' energy: -105.326 flat angles P-C4'-P energy: -77.412 tors. eta vs tors. theta energy: -140.839 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: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1601.273974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.273974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.273974 (E_RNA) where: Base-Base interactions energy: -1107.128 where: short stacking energy: -478.909 Base-Backbone interact. energy: 4.712 local terms energy: -498.857553 where: bonds (distance) C4'-P energy: -90.524 bonds (distance) P-C4' energy: -97.858 flat angles C4'-P-C4' energy: -106.755 flat angles P-C4'-P energy: -76.855 tors. eta vs tors. theta energy: -126.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -1507.217284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.217284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.217284 (E_RNA) where: Base-Base interactions energy: -1064.918 where: short stacking energy: -424.632 Base-Backbone interact. energy: -2.927 local terms energy: -439.371435 where: bonds (distance) C4'-P energy: -76.625 bonds (distance) P-C4' energy: -90.614 flat angles C4'-P-C4' energy: -104.039 flat angles P-C4'-P energy: -66.190 tors. eta vs tors. theta energy: -101.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -1390.163454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.163454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.163454 (E_RNA) where: Base-Base interactions energy: -951.315 where: short stacking energy: -394.675 Base-Backbone interact. energy: -1.696 local terms energy: -437.152586 where: bonds (distance) C4'-P energy: -81.070 bonds (distance) P-C4' energy: -94.296 flat angles C4'-P-C4' energy: -100.541 flat angles P-C4'-P energy: -64.002 tors. eta vs tors. theta energy: -97.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -1444.600839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.600839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.600839 (E_RNA) where: Base-Base interactions energy: -1000.839 where: short stacking energy: -458.728 Base-Backbone interact. energy: -1.195 local terms energy: -442.566708 where: bonds (distance) C4'-P energy: -83.983 bonds (distance) P-C4' energy: -91.573 flat angles C4'-P-C4' energy: -93.434 flat angles P-C4'-P energy: -53.959 tors. eta vs tors. theta energy: -119.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -1206.921669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.921669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.921669 (E_RNA) where: Base-Base interactions energy: -805.252 where: short stacking energy: -363.963 Base-Backbone interact. energy: -2.647 local terms energy: -399.022297 where: bonds (distance) C4'-P energy: -75.135 bonds (distance) P-C4' energy: -86.511 flat angles C4'-P-C4' energy: -90.967 flat angles P-C4'-P energy: -56.241 tors. eta vs tors. theta energy: -90.168 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: 2 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -975.883930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.883930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.883930 (E_RNA) where: Base-Base interactions energy: -621.226 where: short stacking energy: -283.528 Base-Backbone interact. energy: 1.991 local terms energy: -356.648390 where: bonds (distance) C4'-P energy: -86.434 bonds (distance) P-C4' energy: -90.703 flat angles C4'-P-C4' energy: -84.705 flat angles P-C4'-P energy: -46.144 tors. eta vs tors. theta energy: -48.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -879.492844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.492844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.492844 (E_RNA) where: Base-Base interactions energy: -548.831 where: short stacking energy: -256.754 Base-Backbone interact. energy: -1.388 local terms energy: -329.274053 where: bonds (distance) C4'-P energy: -91.113 bonds (distance) P-C4' energy: -82.881 flat angles C4'-P-C4' energy: -85.328 flat angles P-C4'-P energy: -34.233 tors. eta vs tors. theta energy: -35.719 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: 10, replica: 6 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -469.458944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.458944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.458944 (E_RNA) where: Base-Base interactions energy: -211.897 where: short stacking energy: -117.923 Base-Backbone interact. energy: 1.019 local terms energy: -258.581495 where: bonds (distance) C4'-P energy: -78.089 bonds (distance) P-C4' energy: -92.336 flat angles C4'-P-C4' energy: -58.678 flat angles P-C4'-P energy: -38.310 tors. eta vs tors. theta energy: 8.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1799.984278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.984278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.984278 (E_RNA) where: Base-Base interactions energy: -1254.977 where: short stacking energy: -539.986 Base-Backbone interact. energy: -4.638 local terms energy: -540.369603 where: bonds (distance) C4'-P energy: -94.884 bonds (distance) P-C4' energy: -97.410 flat angles C4'-P-C4' energy: -120.298 flat angles P-C4'-P energy: -75.898 tors. eta vs tors. theta energy: -151.881 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: 9 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1663.081399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.081399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.081399 (E_RNA) where: Base-Base interactions energy: -1149.650 where: short stacking energy: -506.505 Base-Backbone interact. energy: -1.698 local terms energy: -511.733121 where: bonds (distance) C4'-P energy: -96.422 bonds (distance) P-C4' energy: -99.052 flat angles C4'-P-C4' energy: -104.443 flat angles P-C4'-P energy: -70.912 tors. eta vs tors. theta energy: -140.904 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: 3, replica: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -1622.952909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.952909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.952909 (E_RNA) where: Base-Base interactions energy: -1122.630 where: short stacking energy: -485.887 Base-Backbone interact. energy: -2.289 local terms energy: -498.033632 where: bonds (distance) C4'-P energy: -85.620 bonds (distance) P-C4' energy: -95.073 flat angles C4'-P-C4' energy: -109.946 flat angles P-C4'-P energy: -72.140 tors. eta vs tors. theta energy: -135.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -1557.624782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.624782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.624782 (E_RNA) where: Base-Base interactions energy: -1082.620 where: short stacking energy: -420.815 Base-Backbone interact. energy: -0.870 local terms energy: -474.135645 where: bonds (distance) C4'-P energy: -76.368 bonds (distance) P-C4' energy: -91.528 flat angles C4'-P-C4' energy: -107.038 flat angles P-C4'-P energy: -77.089 tors. eta vs tors. theta energy: -122.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -1448.597372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.597372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.597372 (E_RNA) where: Base-Base interactions energy: -1003.744 where: short stacking energy: -416.067 Base-Backbone interact. energy: 0.556 local terms energy: -445.409429 where: bonds (distance) C4'-P energy: -91.111 bonds (distance) P-C4' energy: -94.372 flat angles C4'-P-C4' energy: -95.174 flat angles P-C4'-P energy: -59.629 tors. eta vs tors. theta energy: -105.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -1390.216370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.216370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.216370 (E_RNA) where: Base-Base interactions energy: -956.922 where: short stacking energy: -423.365 Base-Backbone interact. energy: -1.899 local terms energy: -431.395297 where: bonds (distance) C4'-P energy: -83.815 bonds (distance) P-C4' energy: -60.775 flat angles C4'-P-C4' energy: -97.382 flat angles P-C4'-P energy: -65.494 tors. eta vs tors. theta energy: -123.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -1203.823503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.823503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.823503 (E_RNA) where: Base-Base interactions energy: -793.260 where: short stacking energy: -340.339 Base-Backbone interact. energy: -3.695 local terms energy: -406.869189 where: bonds (distance) C4'-P energy: -86.072 bonds (distance) P-C4' energy: -75.991 flat angles C4'-P-C4' energy: -95.896 flat angles P-C4'-P energy: -62.573 tors. eta vs tors. theta energy: -86.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -917.100626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.100626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.100626 (E_RNA) where: Base-Base interactions energy: -594.669 where: short stacking energy: -282.789 Base-Backbone interact. energy: 4.969 local terms energy: -327.400556 where: bonds (distance) C4'-P energy: -71.465 bonds (distance) P-C4' energy: -73.374 flat angles C4'-P-C4' energy: -78.913 flat angles P-C4'-P energy: -58.210 tors. eta vs tors. theta energy: -45.437 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: 2 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -872.360063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.360063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.360063 (E_RNA) where: Base-Base interactions energy: -546.338 where: short stacking energy: -246.412 Base-Backbone interact. energy: 0.692 local terms energy: -326.714405 where: bonds (distance) C4'-P energy: -82.033 bonds (distance) P-C4' energy: -75.601 flat angles C4'-P-C4' energy: -82.382 flat angles P-C4'-P energy: -45.728 tors. eta vs tors. theta energy: -40.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -473.603726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.603726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.603726 (E_RNA) where: Base-Base interactions energy: -217.693 where: short stacking energy: -122.694 Base-Backbone interact. energy: 6.397 local terms energy: -262.308222 where: bonds (distance) C4'-P energy: -84.738 bonds (distance) P-C4' energy: -96.826 flat angles C4'-P-C4' energy: -69.962 flat angles P-C4'-P energy: -23.655 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: 5 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1782.094633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.094633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.094633 (E_RNA) where: Base-Base interactions energy: -1261.805 where: short stacking energy: -509.512 Base-Backbone interact. energy: -0.799 local terms energy: -519.490769 where: bonds (distance) C4'-P energy: -103.953 bonds (distance) P-C4' energy: -99.956 flat angles C4'-P-C4' energy: -104.981 flat angles P-C4'-P energy: -64.339 tors. eta vs tors. theta energy: -146.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1642.964487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.964487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.964487 (E_RNA) where: Base-Base interactions energy: -1125.331 where: short stacking energy: -498.568 Base-Backbone interact. energy: -0.034 local terms energy: -517.599330 where: bonds (distance) C4'-P energy: -97.664 bonds (distance) P-C4' energy: -98.133 flat angles C4'-P-C4' energy: -111.322 flat angles P-C4'-P energy: -73.346 tors. eta vs tors. theta energy: -137.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -1614.317075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.317075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.317075 (E_RNA) where: Base-Base interactions energy: -1134.237 where: short stacking energy: -468.705 Base-Backbone interact. energy: -0.380 local terms energy: -479.699985 where: bonds (distance) C4'-P energy: -102.209 bonds (distance) P-C4' energy: -81.479 flat angles C4'-P-C4' energy: -104.004 flat angles P-C4'-P energy: -60.788 tors. eta vs tors. theta energy: -131.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -1509.001816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.001816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.001816 (E_RNA) where: Base-Base interactions energy: -1061.559 where: short stacking energy: -451.139 Base-Backbone interact. energy: 3.231 local terms energy: -450.674584 where: bonds (distance) C4'-P energy: -89.998 bonds (distance) P-C4' energy: -82.839 flat angles C4'-P-C4' energy: -92.279 flat angles P-C4'-P energy: -73.065 tors. eta vs tors. theta energy: -112.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -1444.347906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.347906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.347906 (E_RNA) where: Base-Base interactions energy: -991.684 where: short stacking energy: -410.559 Base-Backbone interact. energy: 0.160 local terms energy: -452.824002 where: bonds (distance) C4'-P energy: -85.378 bonds (distance) P-C4' energy: -90.742 flat angles C4'-P-C4' energy: -103.238 flat angles P-C4'-P energy: -66.409 tors. eta vs tors. theta energy: -107.057 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: 6, replica: 4 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -1382.300977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.300977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.300977 (E_RNA) where: Base-Base interactions energy: -936.894 where: short stacking energy: -415.918 Base-Backbone interact. energy: 2.430 local terms energy: -447.837142 where: bonds (distance) C4'-P energy: -78.091 bonds (distance) P-C4' energy: -91.196 flat angles C4'-P-C4' energy: -99.003 flat angles P-C4'-P energy: -62.925 tors. eta vs tors. theta energy: -116.622 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: 3 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -1193.437169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.437169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.437169 (E_RNA) where: Base-Base interactions energy: -775.994 where: short stacking energy: -341.940 Base-Backbone interact. energy: -2.406 local terms energy: -415.037094 where: bonds (distance) C4'-P energy: -90.506 bonds (distance) P-C4' energy: -102.097 flat angles C4'-P-C4' energy: -83.598 flat angles P-C4'-P energy: -63.767 tors. eta vs tors. theta energy: -75.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -912.560260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.560260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.560260 (E_RNA) where: Base-Base interactions energy: -593.370 where: short stacking energy: -264.966 Base-Backbone interact. energy: -4.444 local terms energy: -314.746440 where: bonds (distance) C4'-P energy: -72.521 bonds (distance) P-C4' energy: -70.166 flat angles C4'-P-C4' energy: -83.406 flat angles P-C4'-P energy: -54.768 tors. eta vs tors. theta energy: -33.885 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: 2 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -808.923436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.923436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.923436 (E_RNA) where: Base-Base interactions energy: -522.944 where: short stacking energy: -236.601 Base-Backbone interact. energy: 0.691 local terms energy: -286.670211 where: bonds (distance) C4'-P energy: -73.830 bonds (distance) P-C4' energy: -78.000 flat angles C4'-P-C4' energy: -72.755 flat angles P-C4'-P energy: -33.842 tors. eta vs tors. theta energy: -28.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -514.338243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.338243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.338243 (E_RNA) where: Base-Base interactions energy: -245.036 where: short stacking energy: -127.918 Base-Backbone interact. energy: 10.640 local terms energy: -279.942283 where: bonds (distance) C4'-P energy: -69.075 bonds (distance) P-C4' energy: -95.608 flat angles C4'-P-C4' energy: -84.193 flat angles P-C4'-P energy: -27.001 tors. eta vs tors. theta energy: -4.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1791.344225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.344225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.344225 (E_RNA) where: Base-Base interactions energy: -1250.201 where: short stacking energy: -541.196 Base-Backbone interact. energy: -0.713 local terms energy: -540.429455 where: bonds (distance) C4'-P energy: -102.879 bonds (distance) P-C4' energy: -95.718 flat angles C4'-P-C4' energy: -116.921 flat angles P-C4'-P energy: -76.267 tors. eta vs tors. theta energy: -148.644 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: 9 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1627.320125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.320125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.320125 (E_RNA) where: Base-Base interactions energy: -1112.788 where: short stacking energy: -521.360 Base-Backbone interact. energy: -3.777 local terms energy: -510.754764 where: bonds (distance) C4'-P energy: -86.954 bonds (distance) P-C4' energy: -92.803 flat angles C4'-P-C4' energy: -105.909 flat angles P-C4'-P energy: -73.010 tors. eta vs tors. theta energy: -152.079 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: 1 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1635.001625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.001625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.001625 (E_RNA) where: Base-Base interactions energy: -1154.197 where: short stacking energy: -465.376 Base-Backbone interact. energy: -4.017 local terms energy: -476.787456 where: bonds (distance) C4'-P energy: -80.819 bonds (distance) P-C4' energy: -95.465 flat angles C4'-P-C4' energy: -109.218 flat angles P-C4'-P energy: -60.948 tors. eta vs tors. theta energy: -130.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -1515.535521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.535521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.535521 (E_RNA) where: Base-Base interactions energy: -1058.303 where: short stacking energy: -443.081 Base-Backbone interact. energy: 1.306 local terms energy: -458.538692 where: bonds (distance) C4'-P energy: -78.112 bonds (distance) P-C4' energy: -91.161 flat angles C4'-P-C4' energy: -101.329 flat angles P-C4'-P energy: -75.434 tors. eta vs tors. theta energy: -112.504 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: 97 Temperature: 1.100000 Total energy: -1472.975708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.975708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.975708 (E_RNA) where: Base-Base interactions energy: -1005.780 where: short stacking energy: -416.450 Base-Backbone interact. energy: 0.510 local terms energy: -467.705821 where: bonds (distance) C4'-P energy: -94.568 bonds (distance) P-C4' energy: -98.678 flat angles C4'-P-C4' energy: -98.319 flat angles P-C4'-P energy: -68.252 tors. eta vs tors. theta energy: -107.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -1251.370293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.370293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.370293 (E_RNA) where: Base-Base interactions energy: -821.116 where: short stacking energy: -358.249 Base-Backbone interact. energy: -1.772 local terms energy: -428.481374 where: bonds (distance) C4'-P energy: -93.351 bonds (distance) P-C4' energy: -91.422 flat angles C4'-P-C4' energy: -94.947 flat angles P-C4'-P energy: -53.713 tors. eta vs tors. theta energy: -95.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -1326.472443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.472443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.472443 (E_RNA) where: Base-Base interactions energy: -891.920 where: short stacking energy: -407.092 Base-Backbone interact. energy: -0.781 local terms energy: -433.771317 where: bonds (distance) C4'-P energy: -77.727 bonds (distance) P-C4' energy: -82.916 flat angles C4'-P-C4' energy: -102.638 flat angles P-C4'-P energy: -57.013 tors. eta vs tors. theta energy: -113.478 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: 10 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -958.598694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.598694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.598694 (E_RNA) where: Base-Base interactions energy: -615.564 where: short stacking energy: -263.878 Base-Backbone interact. energy: -2.330 local terms energy: -340.705560 where: bonds (distance) C4'-P energy: -84.074 bonds (distance) P-C4' energy: -80.895 flat angles C4'-P-C4' energy: -73.848 flat angles P-C4'-P energy: -56.637 tors. eta vs tors. theta energy: -45.252 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: 2 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -788.497447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.497447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.497447 (E_RNA) where: Base-Base interactions energy: -487.940 where: short stacking energy: -230.058 Base-Backbone interact. energy: -3.513 local terms energy: -297.045095 where: bonds (distance) C4'-P energy: -73.022 bonds (distance) P-C4' energy: -65.223 flat angles C4'-P-C4' energy: -81.126 flat angles P-C4'-P energy: -52.264 tors. eta vs tors. theta energy: -25.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -602.082784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.082784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.082784 (E_RNA) where: Base-Base interactions energy: -328.309 where: short stacking energy: -197.194 Base-Backbone interact. energy: 0.174 local terms energy: -273.948220 where: bonds (distance) C4'-P energy: -66.768 bonds (distance) P-C4' energy: -74.381 flat angles C4'-P-C4' energy: -57.839 flat angles P-C4'-P energy: -43.659 tors. eta vs tors. theta energy: -31.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1773.155742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.155742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.155742 (E_RNA) where: Base-Base interactions energy: -1235.783 where: short stacking energy: -544.672 Base-Backbone interact. energy: -0.782 local terms energy: -536.590920 where: bonds (distance) C4'-P energy: -94.249 bonds (distance) P-C4' energy: -104.349 flat angles C4'-P-C4' energy: -100.760 flat angles P-C4'-P energy: -83.281 tors. eta vs tors. theta energy: -153.952 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: 2, replica: 9 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1597.081590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.081590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.081590 (E_RNA) where: Base-Base interactions energy: -1101.055 where: short stacking energy: -476.011 Base-Backbone interact. energy: -2.177 local terms energy: -493.849794 where: bonds (distance) C4'-P energy: -98.885 bonds (distance) P-C4' energy: -94.898 flat angles C4'-P-C4' energy: -109.740 flat angles P-C4'-P energy: -62.898 tors. eta vs tors. theta energy: -127.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -1596.974176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.974176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.974176 (E_RNA) where: Base-Base interactions energy: -1112.268 where: short stacking energy: -464.431 Base-Backbone interact. energy: 0.101 local terms energy: -484.807362 where: bonds (distance) C4'-P energy: -94.387 bonds (distance) P-C4' energy: -90.910 flat angles C4'-P-C4' energy: -110.727 flat angles P-C4'-P energy: -63.607 tors. eta vs tors. theta energy: -125.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -1597.594588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.594588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.594588 (E_RNA) where: Base-Base interactions energy: -1108.372 where: short stacking energy: -459.933 Base-Backbone interact. energy: -1.599 local terms energy: -487.622966 where: bonds (distance) C4'-P energy: -86.144 bonds (distance) P-C4' energy: -97.836 flat angles C4'-P-C4' energy: -104.212 flat angles P-C4'-P energy: -74.225 tors. eta vs tors. theta energy: -125.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -1412.290165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.290165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.290165 (E_RNA) where: Base-Base interactions energy: -1005.220 where: short stacking energy: -399.759 Base-Backbone interact. energy: -3.224 local terms energy: -403.846200 where: bonds (distance) C4'-P energy: -79.260 bonds (distance) P-C4' energy: -88.096 flat angles C4'-P-C4' energy: -95.736 flat angles P-C4'-P energy: -52.211 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: 6, replica: 3 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -1310.254976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.254976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.254976 (E_RNA) where: Base-Base interactions energy: -905.766 where: short stacking energy: -387.258 Base-Backbone interact. energy: -2.813 local terms energy: -401.676106 where: bonds (distance) C4'-P energy: -77.672 bonds (distance) P-C4' energy: -77.157 flat angles C4'-P-C4' energy: -95.505 flat angles P-C4'-P energy: -57.083 tors. eta vs tors. theta energy: -94.258 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: 98 Temperature: 1.200000 Total energy: -1317.266108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.266108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.266108 (E_RNA) where: Base-Base interactions energy: -891.259 where: short stacking energy: -409.422 Base-Backbone interact. energy: -1.370 local terms energy: -424.636959 where: bonds (distance) C4'-P energy: -84.308 bonds (distance) P-C4' energy: -81.968 flat angles C4'-P-C4' energy: -96.860 flat angles P-C4'-P energy: -62.016 tors. eta vs tors. theta energy: -99.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -968.391841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.391841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.391841 (E_RNA) where: Base-Base interactions energy: -621.595 where: short stacking energy: -276.022 Base-Backbone interact. energy: -0.533 local terms energy: -346.264209 where: bonds (distance) C4'-P energy: -85.221 bonds (distance) P-C4' energy: -86.270 flat angles C4'-P-C4' energy: -80.104 flat angles P-C4'-P energy: -41.204 tors. eta vs tors. theta energy: -53.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -809.141810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.141810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.141810 (E_RNA) where: Base-Base interactions energy: -486.803 where: short stacking energy: -230.016 Base-Backbone interact. energy: -0.768 local terms energy: -321.570906 where: bonds (distance) C4'-P energy: -83.440 bonds (distance) P-C4' energy: -77.529 flat angles C4'-P-C4' energy: -89.616 flat angles P-C4'-P energy: -41.655 tors. eta vs tors. theta energy: -29.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -550.205688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.205688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.205688 (E_RNA) where: Base-Base interactions energy: -282.333 where: short stacking energy: -155.874 Base-Backbone interact. energy: 3.746 local terms energy: -271.619048 where: bonds (distance) C4'-P energy: -67.288 bonds (distance) P-C4' energy: -89.924 flat angles C4'-P-C4' energy: -71.509 flat angles P-C4'-P energy: -44.393 tors. eta vs tors. theta energy: 1.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1773.069768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.069768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.069768 (E_RNA) where: Base-Base interactions energy: -1237.682 where: short stacking energy: -529.269 Base-Backbone interact. energy: -1.536 local terms energy: -533.852162 where: bonds (distance) C4'-P energy: -93.934 bonds (distance) P-C4' energy: -102.075 flat angles C4'-P-C4' energy: -110.552 flat angles P-C4'-P energy: -72.751 tors. eta vs tors. theta energy: -154.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1654.878737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.878737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.878737 (E_RNA) where: Base-Base interactions energy: -1159.725 where: short stacking energy: -496.579 Base-Backbone interact. energy: -1.567 local terms energy: -493.586894 where: bonds (distance) C4'-P energy: -87.688 bonds (distance) P-C4' energy: -101.830 flat angles C4'-P-C4' energy: -116.754 flat angles P-C4'-P energy: -57.177 tors. eta vs tors. theta energy: -130.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1560.186732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1560.186732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1560.186732 (E_RNA) where: Base-Base interactions energy: -1075.741 where: short stacking energy: -472.961 Base-Backbone interact. energy: -1.625 local terms energy: -482.820761 where: bonds (distance) C4'-P energy: -81.483 bonds (distance) P-C4' energy: -91.603 flat angles C4'-P-C4' energy: -108.554 flat angles P-C4'-P energy: -76.621 tors. eta vs tors. theta energy: -124.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -1557.454753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.454753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.454753 (E_RNA) where: Base-Base interactions energy: -1099.034 where: short stacking energy: -429.476 Base-Backbone interact. energy: -3.084 local terms energy: -455.336032 where: bonds (distance) C4'-P energy: -87.914 bonds (distance) P-C4' energy: -90.748 flat angles C4'-P-C4' energy: -98.656 flat angles P-C4'-P energy: -69.220 tors. eta vs tors. theta energy: -108.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -1457.427827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.427827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.427827 (E_RNA) where: Base-Base interactions energy: -1034.772 where: short stacking energy: -410.691 Base-Backbone interact. energy: 0.370 local terms energy: -423.025285 where: bonds (distance) C4'-P energy: -75.844 bonds (distance) P-C4' energy: -91.912 flat angles C4'-P-C4' energy: -95.539 flat angles P-C4'-P energy: -59.222 tors. eta vs tors. theta energy: -100.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -1347.767925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.767925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.767925 (E_RNA) where: Base-Base interactions energy: -911.804 where: short stacking energy: -423.361 Base-Backbone interact. energy: -2.771 local terms energy: -433.192664 where: bonds (distance) C4'-P energy: -84.405 bonds (distance) P-C4' energy: -78.711 flat angles C4'-P-C4' energy: -96.973 flat angles P-C4'-P energy: -64.293 tors. eta vs tors. theta energy: -108.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -1256.325563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.325563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.325563 (E_RNA) where: Base-Base interactions energy: -872.880 where: short stacking energy: -368.436 Base-Backbone interact. energy: -3.199 local terms energy: -380.246786 where: bonds (distance) C4'-P energy: -73.059 bonds (distance) P-C4' energy: -86.088 flat angles C4'-P-C4' energy: -86.015 flat angles P-C4'-P energy: -53.652 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: 8, replica: 10 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -977.157259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.157259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.157259 (E_RNA) where: Base-Base interactions energy: -638.625 where: short stacking energy: -312.387 Base-Backbone interact. energy: -0.542 local terms energy: -337.991004 where: bonds (distance) C4'-P energy: -81.486 bonds (distance) P-C4' energy: -69.187 flat angles C4'-P-C4' energy: -74.702 flat angles P-C4'-P energy: -51.615 tors. eta vs tors. theta energy: -61.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -776.641858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.641858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.641858 (E_RNA) where: Base-Base interactions energy: -482.156 where: short stacking energy: -245.052 Base-Backbone interact. energy: 3.039 local terms energy: -297.524393 where: bonds (distance) C4'-P energy: -58.446 bonds (distance) P-C4' energy: -86.763 flat angles C4'-P-C4' energy: -78.601 flat angles P-C4'-P energy: -43.518 tors. eta vs tors. theta energy: -30.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -532.929497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.929497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.929497 (E_RNA) where: Base-Base interactions energy: -262.050 where: short stacking energy: -138.966 Base-Backbone interact. energy: 0.057 local terms energy: -270.936256 where: bonds (distance) C4'-P energy: -77.054 bonds (distance) P-C4' energy: -66.268 flat angles C4'-P-C4' energy: -79.658 flat angles P-C4'-P energy: -49.570 tors. eta vs tors. theta energy: 1.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1775.637198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.637198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.637198 (E_RNA) where: Base-Base interactions energy: -1242.041 where: short stacking energy: -533.327 Base-Backbone interact. energy: -3.748 local terms energy: -529.848452 where: bonds (distance) C4'-P energy: -85.281 bonds (distance) P-C4' energy: -101.821 flat angles C4'-P-C4' energy: -113.669 flat angles P-C4'-P energy: -81.781 tors. eta vs tors. theta energy: -147.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1641.947081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.947081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.947081 (E_RNA) where: Base-Base interactions energy: -1171.162 where: short stacking energy: -472.048 Base-Backbone interact. energy: 1.563 local terms energy: -472.348531 where: bonds (distance) C4'-P energy: -82.986 bonds (distance) P-C4' energy: -92.176 flat angles C4'-P-C4' energy: -106.807 flat angles P-C4'-P energy: -71.412 tors. eta vs tors. theta energy: -118.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1621.624520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.624520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.624520 (E_RNA) where: Base-Base interactions energy: -1129.284 where: short stacking energy: -471.765 Base-Backbone interact. energy: -1.479 local terms energy: -490.861186 where: bonds (distance) C4'-P energy: -99.436 bonds (distance) P-C4' energy: -97.234 flat angles C4'-P-C4' energy: -105.329 flat angles P-C4'-P energy: -70.862 tors. eta vs tors. theta energy: -118.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -1514.083718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.083718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.083718 (E_RNA) where: Base-Base interactions energy: -1050.994 where: short stacking energy: -470.097 Base-Backbone interact. energy: -4.144 local terms energy: -458.946576 where: bonds (distance) C4'-P energy: -85.235 bonds (distance) P-C4' energy: -85.787 flat angles C4'-P-C4' energy: -105.656 flat angles P-C4'-P energy: -61.403 tors. eta vs tors. theta energy: -120.864 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: 5, replica: 8 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -1472.121516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.121516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.121516 (E_RNA) where: Base-Base interactions energy: -1031.427 where: short stacking energy: -425.939 Base-Backbone interact. energy: -2.057 local terms energy: -438.637101 where: bonds (distance) C4'-P energy: -90.819 bonds (distance) P-C4' energy: -93.347 flat angles C4'-P-C4' energy: -85.876 flat angles P-C4'-P energy: -65.434 tors. eta vs tors. theta energy: -103.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -1317.844829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.844829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.844829 (E_RNA) where: Base-Base interactions energy: -862.468 where: short stacking energy: -401.023 Base-Backbone interact. energy: -1.345 local terms energy: -454.032312 where: bonds (distance) C4'-P energy: -79.273 bonds (distance) P-C4' energy: -93.345 flat angles C4'-P-C4' energy: -110.366 flat angles P-C4'-P energy: -61.910 tors. eta vs tors. theta energy: -109.139 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: 3 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -1212.540688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.540688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.540688 (E_RNA) where: Base-Base interactions energy: -822.944 where: short stacking energy: -355.384 Base-Backbone interact. energy: 0.302 local terms energy: -389.898322 where: bonds (distance) C4'-P energy: -69.646 bonds (distance) P-C4' energy: -78.421 flat angles C4'-P-C4' energy: -94.206 flat angles P-C4'-P energy: -65.094 tors. eta vs tors. theta energy: -82.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -944.246878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.246878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.246878 (E_RNA) where: Base-Base interactions energy: -594.964 where: short stacking energy: -278.527 Base-Backbone interact. energy: -0.888 local terms energy: -348.395097 where: bonds (distance) C4'-P energy: -76.946 bonds (distance) P-C4' energy: -90.981 flat angles C4'-P-C4' energy: -81.062 flat angles P-C4'-P energy: -52.846 tors. eta vs tors. theta energy: -46.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -799.961993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.961993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.961993 (E_RNA) where: Base-Base interactions energy: -484.998 where: short stacking energy: -237.062 Base-Backbone interact. energy: -0.290 local terms energy: -314.674199 where: bonds (distance) C4'-P energy: -90.546 bonds (distance) P-C4' energy: -60.729 flat angles C4'-P-C4' energy: -78.256 flat angles P-C4'-P energy: -56.529 tors. eta vs tors. theta energy: -28.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -485.443512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.443512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.443512 (E_RNA) where: Base-Base interactions energy: -236.909 where: short stacking energy: -148.468 Base-Backbone interact. energy: -0.310 local terms energy: -248.224282 where: bonds (distance) C4'-P energy: -75.693 bonds (distance) P-C4' energy: -74.109 flat angles C4'-P-C4' energy: -56.695 flat angles P-C4'-P energy: -33.216 tors. eta vs tors. theta energy: -8.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1768.861242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.861242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.861242 (E_RNA) where: Base-Base interactions energy: -1236.899 where: short stacking energy: -537.046 Base-Backbone interact. energy: -2.036 local terms energy: -529.926498 where: bonds (distance) C4'-P energy: -101.989 bonds (distance) P-C4' energy: -93.054 flat angles C4'-P-C4' energy: -111.029 flat angles P-C4'-P energy: -70.100 tors. eta vs tors. theta energy: -153.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1638.358484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.358484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.358484 (E_RNA) where: Base-Base interactions energy: -1127.583 where: short stacking energy: -480.114 Base-Backbone interact. energy: 1.470 local terms energy: -512.245840 where: bonds (distance) C4'-P energy: -102.044 bonds (distance) P-C4' energy: -96.575 flat angles C4'-P-C4' energy: -106.601 flat angles P-C4'-P energy: -81.081 tors. eta vs tors. theta energy: -125.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1584.263108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.263108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.263108 (E_RNA) where: Base-Base interactions energy: -1125.136 where: short stacking energy: -453.604 Base-Backbone interact. energy: -4.270 local terms energy: -454.857234 where: bonds (distance) C4'-P energy: -84.166 bonds (distance) P-C4' energy: -88.723 flat angles C4'-P-C4' energy: -97.761 flat angles P-C4'-P energy: -71.580 tors. eta vs tors. theta energy: -112.627 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: 9 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -1584.466993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.466993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.466993 (E_RNA) where: Base-Base interactions energy: -1079.087 where: short stacking energy: -455.304 Base-Backbone interact. energy: -2.328 local terms energy: -503.051355 where: bonds (distance) C4'-P energy: -84.466 bonds (distance) P-C4' energy: -89.894 flat angles C4'-P-C4' energy: -118.504 flat angles P-C4'-P energy: -77.184 tors. eta vs tors. theta energy: -133.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -1450.541125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.541125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.541125 (E_RNA) where: Base-Base interactions energy: -1011.592 where: short stacking energy: -407.260 Base-Backbone interact. energy: 1.778 local terms energy: -440.726431 where: bonds (distance) C4'-P energy: -73.394 bonds (distance) P-C4' energy: -90.979 flat angles C4'-P-C4' energy: -98.726 flat angles P-C4'-P energy: -66.071 tors. eta vs tors. theta energy: -111.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -1354.917589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.917589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.917589 (E_RNA) where: Base-Base interactions energy: -919.210 where: short stacking energy: -402.546 Base-Backbone interact. energy: 2.652 local terms energy: -438.359738 where: bonds (distance) C4'-P energy: -91.344 bonds (distance) P-C4' energy: -90.654 flat angles C4'-P-C4' energy: -91.801 flat angles P-C4'-P energy: -64.023 tors. eta vs tors. theta energy: -100.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -1208.659970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.659970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.659970 (E_RNA) where: Base-Base interactions energy: -823.304 where: short stacking energy: -353.938 Base-Backbone interact. energy: -2.435 local terms energy: -382.920812 where: bonds (distance) C4'-P energy: -73.496 bonds (distance) P-C4' energy: -80.296 flat angles C4'-P-C4' energy: -90.632 flat angles P-C4'-P energy: -56.177 tors. eta vs tors. theta energy: -82.320 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: 8, replica: 10 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -951.392411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.392411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.392411 (E_RNA) where: Base-Base interactions energy: -574.446 where: short stacking energy: -264.581 Base-Backbone interact. energy: -2.974 local terms energy: -373.972765 where: bonds (distance) C4'-P energy: -94.320 bonds (distance) P-C4' energy: -89.575 flat angles C4'-P-C4' energy: -80.363 flat angles P-C4'-P energy: -57.578 tors. eta vs tors. theta energy: -52.136 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: 9, replica: 2 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -808.553864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.553864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.553864 (E_RNA) where: Base-Base interactions energy: -497.072 where: short stacking energy: -220.294 Base-Backbone interact. energy: -0.514 local terms energy: -310.967393 where: bonds (distance) C4'-P energy: -73.890 bonds (distance) P-C4' energy: -78.203 flat angles C4'-P-C4' energy: -72.449 flat angles P-C4'-P energy: -53.131 tors. eta vs tors. theta energy: -33.295 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: 6 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -581.317949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.317949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.317949 (E_RNA) where: Base-Base interactions energy: -300.537 where: short stacking energy: -166.781 Base-Backbone interact. energy: 0.348 local terms energy: -281.128696 where: bonds (distance) C4'-P energy: -63.260 bonds (distance) P-C4' energy: -77.118 flat angles C4'-P-C4' energy: -90.392 flat angles P-C4'-P energy: -42.196 tors. eta vs tors. theta energy: -8.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1768.992236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.992236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.992236 (E_RNA) where: Base-Base interactions energy: -1223.347 where: short stacking energy: -524.355 Base-Backbone interact. energy: -0.649 local terms energy: -544.996157 where: bonds (distance) C4'-P energy: -98.361 bonds (distance) P-C4' energy: -112.095 flat angles C4'-P-C4' energy: -112.168 flat angles P-C4'-P energy: -78.322 tors. eta vs tors. theta energy: -144.049 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: 2, replica: 1 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1665.308203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.308203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.308203 (E_RNA) where: Base-Base interactions energy: -1159.064 where: short stacking energy: -468.811 Base-Backbone interact. energy: 5.392 local terms energy: -511.635363 where: bonds (distance) C4'-P energy: -100.891 bonds (distance) P-C4' energy: -100.597 flat angles C4'-P-C4' energy: -108.210 flat angles P-C4'-P energy: -73.112 tors. eta vs tors. theta energy: -128.825 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: 9 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1579.981499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.981499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.981499 (E_RNA) where: Base-Base interactions energy: -1094.818 where: short stacking energy: -491.188 Base-Backbone interact. energy: -0.631 local terms energy: -484.533409 where: bonds (distance) C4'-P energy: -85.946 bonds (distance) P-C4' energy: -97.946 flat angles C4'-P-C4' energy: -95.804 flat angles P-C4'-P energy: -71.599 tors. eta vs tors. theta energy: -133.239 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: 4, replica: 7 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -1558.785798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.785798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.785798 (E_RNA) where: Base-Base interactions energy: -1090.112 where: short stacking energy: -445.147 Base-Backbone interact. energy: 0.695 local terms energy: -469.368055 where: bonds (distance) C4'-P energy: -91.215 bonds (distance) P-C4' energy: -104.493 flat angles C4'-P-C4' energy: -102.653 flat angles P-C4'-P energy: -67.012 tors. eta vs tors. theta energy: -103.994 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: 5, replica: 8 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -1443.597920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.597920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.597920 (E_RNA) where: Base-Base interactions energy: -968.135 where: short stacking energy: -409.063 Base-Backbone interact. energy: -2.042 local terms energy: -473.421263 where: bonds (distance) C4'-P energy: -86.215 bonds (distance) P-C4' energy: -100.226 flat angles C4'-P-C4' energy: -102.959 flat angles P-C4'-P energy: -79.700 tors. eta vs tors. theta energy: -104.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -1341.762312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.762312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.762312 (E_RNA) where: Base-Base interactions energy: -910.565 where: short stacking energy: -405.788 Base-Backbone interact. energy: 0.719 local terms energy: -431.916477 where: bonds (distance) C4'-P energy: -100.291 bonds (distance) P-C4' energy: -79.382 flat angles C4'-P-C4' energy: -96.187 flat angles P-C4'-P energy: -61.712 tors. eta vs tors. theta energy: -94.345 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: 3 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -1242.757089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.757089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.757089 (E_RNA) where: Base-Base interactions energy: -824.044 where: short stacking energy: -375.673 Base-Backbone interact. energy: -2.049 local terms energy: -416.663552 where: bonds (distance) C4'-P energy: -79.669 bonds (distance) P-C4' energy: -92.620 flat angles C4'-P-C4' energy: -100.230 flat angles P-C4'-P energy: -54.565 tors. eta vs tors. theta energy: -89.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -932.130031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.130031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.130031 (E_RNA) where: Base-Base interactions energy: -594.824 where: short stacking energy: -286.997 Base-Backbone interact. energy: -1.512 local terms energy: -335.793762 where: bonds (distance) C4'-P energy: -88.181 bonds (distance) P-C4' energy: -82.289 flat angles C4'-P-C4' energy: -70.761 flat angles P-C4'-P energy: -39.061 tors. eta vs tors. theta energy: -55.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -797.076717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.076717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.076717 (E_RNA) where: Base-Base interactions energy: -493.026 where: short stacking energy: -224.350 Base-Backbone interact. energy: -2.018 local terms energy: -302.033015 where: bonds (distance) C4'-P energy: -86.646 bonds (distance) P-C4' energy: -82.405 flat angles C4'-P-C4' energy: -72.295 flat angles P-C4'-P energy: -43.381 tors. eta vs tors. theta energy: -17.306 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: 6 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -609.427132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.427132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.427132 (E_RNA) where: Base-Base interactions energy: -323.128 where: short stacking energy: -173.119 Base-Backbone interact. energy: 2.217 local terms energy: -288.515308 where: bonds (distance) C4'-P energy: -86.187 bonds (distance) P-C4' energy: -86.761 flat angles C4'-P-C4' energy: -74.121 flat angles P-C4'-P energy: -41.371 tors. eta vs tors. theta energy: -0.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1796.858742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.858742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.858742 (E_RNA) where: Base-Base interactions energy: -1246.204 where: short stacking energy: -529.277 Base-Backbone interact. energy: -2.613 local terms energy: -548.041870 where: bonds (distance) C4'-P energy: -100.392 bonds (distance) P-C4' energy: -95.134 flat angles C4'-P-C4' energy: -113.913 flat angles P-C4'-P energy: -85.152 tors. eta vs tors. theta energy: -153.451 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: 1 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1667.236006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.236006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.236006 (E_RNA) where: Base-Base interactions energy: -1157.730 where: short stacking energy: -474.072 Base-Backbone interact. energy: 5.595 local terms energy: -515.100991 where: bonds (distance) C4'-P energy: -95.037 bonds (distance) P-C4' energy: -106.144 flat angles C4'-P-C4' energy: -107.492 flat angles P-C4'-P energy: -75.143 tors. eta vs tors. theta energy: -131.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1607.704162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.704162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.704162 (E_RNA) where: Base-Base interactions energy: -1116.036 where: short stacking energy: -492.461 Base-Backbone interact. energy: -2.076 local terms energy: -489.591679 where: bonds (distance) C4'-P energy: -95.268 bonds (distance) P-C4' energy: -94.371 flat angles C4'-P-C4' energy: -103.756 flat angles P-C4'-P energy: -73.013 tors. eta vs tors. theta energy: -123.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -1577.091869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.091869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.091869 (E_RNA) where: Base-Base interactions energy: -1122.592 where: short stacking energy: -452.654 Base-Backbone interact. energy: 1.505 local terms energy: -456.004580 where: bonds (distance) C4'-P energy: -90.255 bonds (distance) P-C4' energy: -93.711 flat angles C4'-P-C4' energy: -107.547 flat angles P-C4'-P energy: -54.976 tors. eta vs tors. theta energy: -109.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -1454.602339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.602339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.602339 (E_RNA) where: Base-Base interactions energy: -986.829 where: short stacking energy: -433.711 Base-Backbone interact. energy: -2.053 local terms energy: -465.720720 where: bonds (distance) C4'-P energy: -88.927 bonds (distance) P-C4' energy: -95.456 flat angles C4'-P-C4' energy: -97.925 flat angles P-C4'-P energy: -68.764 tors. eta vs tors. theta energy: -114.649 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: 103 Temperature: 1.150000 Total energy: -1407.091918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1407.091918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1407.091918 (E_RNA) where: Base-Base interactions energy: -945.566 where: short stacking energy: -444.474 Base-Backbone interact. energy: -1.822 local terms energy: -459.704373 where: bonds (distance) C4'-P energy: -79.593 bonds (distance) P-C4' energy: -83.082 flat angles C4'-P-C4' energy: -103.978 flat angles P-C4'-P energy: -66.610 tors. eta vs tors. theta energy: -126.442 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: 3 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -1252.779786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1252.779786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1252.779786 (E_RNA) where: Base-Base interactions energy: -828.226 where: short stacking energy: -380.073 Base-Backbone interact. energy: -1.774 local terms energy: -422.779169 where: bonds (distance) C4'-P energy: -77.470 bonds (distance) P-C4' energy: -94.321 flat angles C4'-P-C4' energy: -99.654 flat angles P-C4'-P energy: -63.217 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: 8, replica: 10 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -998.537085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.537085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.537085 (E_RNA) where: Base-Base interactions energy: -632.232 where: short stacking energy: -280.588 Base-Backbone interact. energy: 0.751 local terms energy: -367.055758 where: bonds (distance) C4'-P energy: -73.749 bonds (distance) P-C4' energy: -92.517 flat angles C4'-P-C4' energy: -79.453 flat angles P-C4'-P energy: -63.958 tors. eta vs tors. theta energy: -57.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -853.241953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.241953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.241953 (E_RNA) where: Base-Base interactions energy: -531.954 where: short stacking energy: -221.784 Base-Backbone interact. energy: -3.519 local terms energy: -317.768500 where: bonds (distance) C4'-P energy: -77.086 bonds (distance) P-C4' energy: -85.840 flat angles C4'-P-C4' energy: -75.744 flat angles P-C4'-P energy: -41.863 tors. eta vs tors. theta energy: -37.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -632.901892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.901892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.901892 (E_RNA) where: Base-Base interactions energy: -357.630 where: short stacking energy: -189.168 Base-Backbone interact. energy: 1.555 local terms energy: -276.826781 where: bonds (distance) C4'-P energy: -77.576 bonds (distance) P-C4' energy: -79.823 flat angles C4'-P-C4' energy: -72.093 flat angles P-C4'-P energy: -41.975 tors. eta vs tors. theta energy: -5.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -1791.965829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.965829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.965829 (E_RNA) where: Base-Base interactions energy: -1258.195 where: short stacking energy: -532.198 Base-Backbone interact. energy: -3.968 local terms energy: -529.802267 where: bonds (distance) C4'-P energy: -103.579 bonds (distance) P-C4' energy: -83.468 flat angles C4'-P-C4' energy: -113.083 flat angles P-C4'-P energy: -72.023 tors. eta vs tors. theta energy: -157.650 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: 1 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1666.870761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1666.870761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1666.870761 (E_RNA) where: Base-Base interactions energy: -1181.099 where: short stacking energy: -491.275 Base-Backbone interact. energy: 0.244 local terms energy: -486.016251 where: bonds (distance) C4'-P energy: -74.345 bonds (distance) P-C4' energy: -100.357 flat angles C4'-P-C4' energy: -101.833 flat angles P-C4'-P energy: -72.282 tors. eta vs tors. theta energy: -137.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1611.987098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.987098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.987098 (E_RNA) where: Base-Base interactions energy: -1137.080 where: short stacking energy: -501.621 Base-Backbone interact. energy: -2.318 local terms energy: -472.588310 where: bonds (distance) C4'-P energy: -71.880 bonds (distance) P-C4' energy: -94.942 flat angles C4'-P-C4' energy: -113.517 flat angles P-C4'-P energy: -62.850 tors. eta vs tors. theta energy: -129.399 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: 4, replica: 7 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -1575.420395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.420395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.420395 (E_RNA) where: Base-Base interactions energy: -1102.595 where: short stacking energy: -437.507 Base-Backbone interact. energy: 0.168 local terms energy: -472.993439 where: bonds (distance) C4'-P energy: -94.910 bonds (distance) P-C4' energy: -82.036 flat angles C4'-P-C4' energy: -104.775 flat angles P-C4'-P energy: -70.865 tors. eta vs tors. theta energy: -120.406 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: 8 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -1458.807002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.807002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.807002 (E_RNA) where: Base-Base interactions energy: -1008.796 where: short stacking energy: -449.266 Base-Backbone interact. energy: -0.175 local terms energy: -449.835789 where: bonds (distance) C4'-P energy: -89.364 bonds (distance) P-C4' energy: -89.511 flat angles C4'-P-C4' energy: -97.888 flat angles P-C4'-P energy: -52.241 tors. eta vs tors. theta energy: -120.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -1340.410585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.410585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.410585 (E_RNA) where: Base-Base interactions energy: -907.458 where: short stacking energy: -405.128 Base-Backbone interact. energy: -4.108 local terms energy: -428.843916 where: bonds (distance) C4'-P energy: -87.990 bonds (distance) P-C4' energy: -73.635 flat angles C4'-P-C4' energy: -106.514 flat angles P-C4'-P energy: -64.772 tors. eta vs tors. theta energy: -95.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -1207.310853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.310853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.310853 (E_RNA) where: Base-Base interactions energy: -804.143 where: short stacking energy: -356.933 Base-Backbone interact. energy: -1.407 local terms energy: -401.760911 where: bonds (distance) C4'-P energy: -76.674 bonds (distance) P-C4' energy: -81.465 flat angles C4'-P-C4' energy: -95.011 flat angles P-C4'-P energy: -55.420 tors. eta vs tors. theta energy: -93.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -1004.449483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.449483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.449483 (E_RNA) where: Base-Base interactions energy: -628.014 where: short stacking energy: -292.231 Base-Backbone interact. energy: -0.603 local terms energy: -375.832190 where: bonds (distance) C4'-P energy: -92.057 bonds (distance) P-C4' energy: -88.458 flat angles C4'-P-C4' energy: -86.192 flat angles P-C4'-P energy: -54.521 tors. eta vs tors. theta energy: -54.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -838.938723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.938723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.938723 (E_RNA) where: Base-Base interactions energy: -516.850 where: short stacking energy: -257.999 Base-Backbone interact. energy: -1.417 local terms energy: -320.671743 where: bonds (distance) C4'-P energy: -68.866 bonds (distance) P-C4' energy: -80.250 flat angles C4'-P-C4' energy: -71.564 flat angles P-C4'-P energy: -52.685 tors. eta vs tors. theta energy: -47.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -678.020286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.020286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.020286 (E_RNA) where: Base-Base interactions energy: -432.981 where: short stacking energy: -180.759 Base-Backbone interact. energy: 3.605 local terms energy: -248.644252 where: bonds (distance) C4'-P energy: -57.866 bonds (distance) P-C4' energy: -69.543 flat angles C4'-P-C4' energy: -75.367 flat angles P-C4'-P energy: -38.974 tors. eta vs tors. theta energy: -6.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1791.782126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.782126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.782126 (E_RNA) where: Base-Base interactions energy: -1246.355 where: short stacking energy: -527.378 Base-Backbone interact. energy: -3.895 local terms energy: -541.532397 where: bonds (distance) C4'-P energy: -98.995 bonds (distance) P-C4' energy: -99.425 flat angles C4'-P-C4' energy: -114.292 flat angles P-C4'-P energy: -81.635 tors. eta vs tors. theta energy: -147.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1658.088530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.088530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.088530 (E_RNA) where: Base-Base interactions energy: -1162.704 where: short stacking energy: -481.945 Base-Backbone interact. energy: -0.348 local terms energy: -495.037032 where: bonds (distance) C4'-P energy: -103.124 bonds (distance) P-C4' energy: -94.755 flat angles C4'-P-C4' energy: -104.310 flat angles P-C4'-P energy: -73.048 tors. eta vs tors. theta energy: -119.800 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: 9 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1576.202747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.202747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.202747 (E_RNA) where: Base-Base interactions energy: -1103.362 where: short stacking energy: -459.843 Base-Backbone interact. energy: 1.075 local terms energy: -473.915647 where: bonds (distance) C4'-P energy: -86.438 bonds (distance) P-C4' energy: -95.091 flat angles C4'-P-C4' energy: -101.926 flat angles P-C4'-P energy: -69.789 tors. eta vs tors. theta energy: -120.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -1586.860411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.860411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.860411 (E_RNA) where: Base-Base interactions energy: -1128.083 where: short stacking energy: -453.088 Base-Backbone interact. energy: -2.472 local terms energy: -456.304818 where: bonds (distance) C4'-P energy: -92.488 bonds (distance) P-C4' energy: -88.961 flat angles C4'-P-C4' energy: -93.553 flat angles P-C4'-P energy: -63.333 tors. eta vs tors. theta energy: -117.969 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: 8 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -1390.098675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.098675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.098675 (E_RNA) where: Base-Base interactions energy: -955.815 where: short stacking energy: -398.160 Base-Backbone interact. energy: -3.928 local terms energy: -430.355666 where: bonds (distance) C4'-P energy: -81.965 bonds (distance) P-C4' energy: -85.386 flat angles C4'-P-C4' energy: -101.667 flat angles P-C4'-P energy: -64.271 tors. eta vs tors. theta energy: -97.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -1379.826228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.826228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.826228 (E_RNA) where: Base-Base interactions energy: -915.802 where: short stacking energy: -416.239 Base-Backbone interact. energy: -2.839 local terms energy: -461.185528 where: bonds (distance) C4'-P energy: -87.861 bonds (distance) P-C4' energy: -87.383 flat angles C4'-P-C4' energy: -103.316 flat angles P-C4'-P energy: -64.649 tors. eta vs tors. theta energy: -117.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -1228.032215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.032215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.032215 (E_RNA) where: Base-Base interactions energy: -846.759 where: short stacking energy: -365.842 Base-Backbone interact. energy: -0.138 local terms energy: -381.134323 where: bonds (distance) C4'-P energy: -64.758 bonds (distance) P-C4' energy: -89.753 flat angles C4'-P-C4' energy: -80.641 flat angles P-C4'-P energy: -54.644 tors. eta vs tors. theta energy: -91.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -1010.013365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.013365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.013365 (E_RNA) where: Base-Base interactions energy: -651.436 where: short stacking energy: -317.850 Base-Backbone interact. energy: -0.834 local terms energy: -357.743120 where: bonds (distance) C4'-P energy: -77.872 bonds (distance) P-C4' energy: -85.075 flat angles C4'-P-C4' energy: -84.256 flat angles P-C4'-P energy: -56.502 tors. eta vs tors. theta energy: -54.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -793.369964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.369964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.369964 (E_RNA) where: Base-Base interactions energy: -479.541 where: short stacking energy: -245.796 Base-Backbone interact. energy: 1.069 local terms energy: -314.897305 where: bonds (distance) C4'-P energy: -77.143 bonds (distance) P-C4' energy: -83.673 flat angles C4'-P-C4' energy: -74.267 flat angles P-C4'-P energy: -39.726 tors. eta vs tors. theta energy: -40.088 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: 6 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -773.379455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.379455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.379455 (E_RNA) where: Base-Base interactions energy: -466.879 where: short stacking energy: -239.110 Base-Backbone interact. energy: -0.790 local terms energy: -305.710878 where: bonds (distance) C4'-P energy: -57.469 bonds (distance) P-C4' energy: -94.632 flat angles C4'-P-C4' energy: -71.774 flat angles P-C4'-P energy: -46.474 tors. eta vs tors. theta energy: -35.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1792.179333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.179333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.179333 (E_RNA) where: Base-Base interactions energy: -1245.837 where: short stacking energy: -515.950 Base-Backbone interact. energy: -3.948 local terms energy: -542.394606 where: bonds (distance) C4'-P energy: -98.485 bonds (distance) P-C4' energy: -102.905 flat angles C4'-P-C4' energy: -113.400 flat angles P-C4'-P energy: -82.124 tors. eta vs tors. theta energy: -145.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1672.131151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.131151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.131151 (E_RNA) where: Base-Base interactions energy: -1154.884 where: short stacking energy: -484.152 Base-Backbone interact. energy: -1.777 local terms energy: -515.470312 where: bonds (distance) C4'-P energy: -103.897 bonds (distance) P-C4' energy: -99.548 flat angles C4'-P-C4' energy: -109.738 flat angles P-C4'-P energy: -75.380 tors. eta vs tors. theta energy: -126.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1595.653406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.653406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.653406 (E_RNA) where: Base-Base interactions energy: -1133.636 where: short stacking energy: -490.770 Base-Backbone interact. energy: -2.407 local terms energy: -459.609699 where: bonds (distance) C4'-P energy: -74.197 bonds (distance) P-C4' energy: -83.123 flat angles C4'-P-C4' energy: -108.361 flat angles P-C4'-P energy: -64.714 tors. eta vs tors. theta energy: -129.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1612.012985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.012985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.012985 (E_RNA) where: Base-Base interactions energy: -1144.150 where: short stacking energy: -444.884 Base-Backbone interact. energy: -2.603 local terms energy: -465.260007 where: bonds (distance) C4'-P energy: -90.096 bonds (distance) P-C4' energy: -89.803 flat angles C4'-P-C4' energy: -106.992 flat angles P-C4'-P energy: -59.427 tors. eta vs tors. theta energy: -118.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -1443.801976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.801976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.801976 (E_RNA) where: Base-Base interactions energy: -984.131 where: short stacking energy: -441.014 Base-Backbone interact. energy: -1.597 local terms energy: -458.074299 where: bonds (distance) C4'-P energy: -85.295 bonds (distance) P-C4' energy: -89.851 flat angles C4'-P-C4' energy: -104.250 flat angles P-C4'-P energy: -60.224 tors. eta vs tors. theta energy: -118.453 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: 4 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -1398.150615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.150615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.150615 (E_RNA) where: Base-Base interactions energy: -967.468 where: short stacking energy: -427.515 Base-Backbone interact. energy: -1.457 local terms energy: -429.225422 where: bonds (distance) C4'-P energy: -84.701 bonds (distance) P-C4' energy: -83.678 flat angles C4'-P-C4' energy: -100.809 flat angles P-C4'-P energy: -43.322 tors. eta vs tors. theta energy: -116.715 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: 3 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -1242.908760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.908760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.908760 (E_RNA) where: Base-Base interactions energy: -836.516 where: short stacking energy: -365.080 Base-Backbone interact. energy: -0.846 local terms energy: -405.547044 where: bonds (distance) C4'-P energy: -94.614 bonds (distance) P-C4' energy: -78.371 flat angles C4'-P-C4' energy: -90.619 flat angles P-C4'-P energy: -56.672 tors. eta vs tors. theta energy: -85.271 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: 10 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -1010.879536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.879536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.879536 (E_RNA) where: Base-Base interactions energy: -676.472 where: short stacking energy: -275.203 Base-Backbone interact. energy: 0.800 local terms energy: -335.207439 where: bonds (distance) C4'-P energy: -73.577 bonds (distance) P-C4' energy: -86.861 flat angles C4'-P-C4' energy: -76.599 flat angles P-C4'-P energy: -46.959 tors. eta vs tors. theta energy: -51.212 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: 6 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -731.332846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.332846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.332846 (E_RNA) where: Base-Base interactions energy: -404.114 where: short stacking energy: -214.436 Base-Backbone interact. energy: -0.047 local terms energy: -327.172629 where: bonds (distance) C4'-P energy: -74.836 bonds (distance) P-C4' energy: -91.873 flat angles C4'-P-C4' energy: -87.343 flat angles P-C4'-P energy: -58.180 tors. eta vs tors. theta energy: -14.941 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: 2 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -708.446685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.446685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.446685 (E_RNA) where: Base-Base interactions energy: -443.173 where: short stacking energy: -215.874 Base-Backbone interact. energy: -0.645 local terms energy: -264.629286 where: bonds (distance) C4'-P energy: -70.548 bonds (distance) P-C4' energy: -97.469 flat angles C4'-P-C4' energy: -68.419 flat angles P-C4'-P energy: -11.453 tors. eta vs tors. theta energy: -16.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1777.270393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.270393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.270393 (E_RNA) where: Base-Base interactions energy: -1228.848 where: short stacking energy: -530.478 Base-Backbone interact. energy: -1.915 local terms energy: -546.508218 where: bonds (distance) C4'-P energy: -103.803 bonds (distance) P-C4' energy: -93.118 flat angles C4'-P-C4' energy: -111.435 flat angles P-C4'-P energy: -84.812 tors. eta vs tors. theta energy: -153.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -1657.299975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.299975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.299975 (E_RNA) where: Base-Base interactions energy: -1151.147 where: short stacking energy: -480.560 Base-Backbone interact. energy: -0.818 local terms energy: -505.335751 where: bonds (distance) C4'-P energy: -97.749 bonds (distance) P-C4' energy: -99.040 flat angles C4'-P-C4' energy: -110.104 flat angles P-C4'-P energy: -70.420 tors. eta vs tors. theta energy: -128.023 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: 9 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1621.552240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.552240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.552240 (E_RNA) where: Base-Base interactions energy: -1123.002 where: short stacking energy: -480.730 Base-Backbone interact. energy: -3.679 local terms energy: -494.870750 where: bonds (distance) C4'-P energy: -90.070 bonds (distance) P-C4' energy: -102.606 flat angles C4'-P-C4' energy: -109.452 flat angles P-C4'-P energy: -58.044 tors. eta vs tors. theta energy: -134.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -1586.564417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.564417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.564417 (E_RNA) where: Base-Base interactions energy: -1141.668 where: short stacking energy: -448.981 Base-Backbone interact. energy: 0.674 local terms energy: -445.570620 where: bonds (distance) C4'-P energy: -93.571 bonds (distance) P-C4' energy: -88.681 flat angles C4'-P-C4' energy: -87.885 flat angles P-C4'-P energy: -57.539 tors. eta vs tors. theta energy: -117.894 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: 8 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -1432.739110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.739110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.739110 (E_RNA) where: Base-Base interactions energy: -975.343 where: short stacking energy: -413.501 Base-Backbone interact. energy: 1.852 local terms energy: -459.248218 where: bonds (distance) C4'-P energy: -91.299 bonds (distance) P-C4' energy: -92.738 flat angles C4'-P-C4' energy: -103.909 flat angles P-C4'-P energy: -63.224 tors. eta vs tors. theta energy: -108.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -1417.915670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.915670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.915670 (E_RNA) where: Base-Base interactions energy: -956.635 where: short stacking energy: -420.812 Base-Backbone interact. energy: -0.733 local terms energy: -460.548499 where: bonds (distance) C4'-P energy: -68.587 bonds (distance) P-C4' energy: -88.927 flat angles C4'-P-C4' energy: -96.853 flat angles P-C4'-P energy: -80.299 tors. eta vs tors. theta energy: -125.883 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: 3 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -1171.746349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.746349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.746349 (E_RNA) where: Base-Base interactions energy: -784.466 where: short stacking energy: -354.397 Base-Backbone interact. energy: -1.464 local terms energy: -385.816577 where: bonds (distance) C4'-P energy: -67.978 bonds (distance) P-C4' energy: -88.379 flat angles C4'-P-C4' energy: -96.170 flat angles P-C4'-P energy: -45.572 tors. eta vs tors. theta energy: -87.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -1028.807717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.807717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.807717 (E_RNA) where: Base-Base interactions energy: -662.613 where: short stacking energy: -302.839 Base-Backbone interact. energy: -1.031 local terms energy: -365.163857 where: bonds (distance) C4'-P energy: -79.430 bonds (distance) P-C4' energy: -96.728 flat angles C4'-P-C4' energy: -75.251 flat angles P-C4'-P energy: -48.337 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: 9, replica: 6 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -742.163759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.163759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.163759 (E_RNA) where: Base-Base interactions energy: -437.038 where: short stacking energy: -231.075 Base-Backbone interact. energy: -0.822 local terms energy: -304.303571 where: bonds (distance) C4'-P energy: -61.321 bonds (distance) P-C4' energy: -81.162 flat angles C4'-P-C4' energy: -86.857 flat angles P-C4'-P energy: -44.740 tors. eta vs tors. theta energy: -30.224 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: 2 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -629.955889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.955889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.955889 (E_RNA) where: Base-Base interactions energy: -364.048 where: short stacking energy: -182.831 Base-Backbone interact. energy: -2.338 local terms energy: -263.569171 where: bonds (distance) C4'-P energy: -71.574 bonds (distance) P-C4' energy: -75.464 flat angles C4'-P-C4' energy: -75.759 flat angles P-C4'-P energy: -41.744 tors. eta vs tors. theta energy: 0.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1775.380551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.380551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.380551 (E_RNA) where: Base-Base interactions energy: -1236.886 where: short stacking energy: -539.288 Base-Backbone interact. energy: -3.954 local terms energy: -534.540118 where: bonds (distance) C4'-P energy: -102.049 bonds (distance) P-C4' energy: -91.623 flat angles C4'-P-C4' energy: -107.874 flat angles P-C4'-P energy: -80.357 tors. eta vs tors. theta energy: -152.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1662.981904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.981904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.981904 (E_RNA) where: Base-Base interactions energy: -1155.468 where: short stacking energy: -492.575 Base-Backbone interact. energy: 4.734 local terms energy: -512.248147 where: bonds (distance) C4'-P energy: -93.146 bonds (distance) P-C4' energy: -89.667 flat angles C4'-P-C4' energy: -115.783 flat angles P-C4'-P energy: -77.021 tors. eta vs tors. theta energy: -136.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -1596.701986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.701986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.701986 (E_RNA) where: Base-Base interactions energy: -1144.383 where: short stacking energy: -448.818 Base-Backbone interact. energy: -3.060 local terms energy: -449.259092 where: bonds (distance) C4'-P energy: -86.098 bonds (distance) P-C4' energy: -84.408 flat angles C4'-P-C4' energy: -96.394 flat angles P-C4'-P energy: -69.422 tors. eta vs tors. theta energy: -112.936 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: 9 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -1531.709556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.709556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.709556 (E_RNA) where: Base-Base interactions energy: -1051.750 where: short stacking energy: -454.872 Base-Backbone interact. energy: -2.130 local terms energy: -477.829637 where: bonds (distance) C4'-P energy: -94.224 bonds (distance) P-C4' energy: -98.422 flat angles C4'-P-C4' energy: -106.066 flat angles P-C4'-P energy: -68.922 tors. eta vs tors. theta energy: -110.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -1401.539619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.539619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.539619 (E_RNA) where: Base-Base interactions energy: -946.793 where: short stacking energy: -376.180 Base-Backbone interact. energy: -2.525 local terms energy: -452.221514 where: bonds (distance) C4'-P energy: -82.718 bonds (distance) P-C4' energy: -105.226 flat angles C4'-P-C4' energy: -105.900 flat angles P-C4'-P energy: -63.877 tors. eta vs tors. theta energy: -94.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -1334.835775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.835775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.835775 (E_RNA) where: Base-Base interactions energy: -912.009 where: short stacking energy: -401.716 Base-Backbone interact. energy: 1.235 local terms energy: -424.061415 where: bonds (distance) C4'-P energy: -82.625 bonds (distance) P-C4' energy: -87.710 flat angles C4'-P-C4' energy: -90.865 flat angles P-C4'-P energy: -58.575 tors. eta vs tors. theta energy: -104.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -1230.736566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.736566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.736566 (E_RNA) where: Base-Base interactions energy: -818.748 where: short stacking energy: -369.997 Base-Backbone interact. energy: -2.319 local terms energy: -409.670031 where: bonds (distance) C4'-P energy: -87.994 bonds (distance) P-C4' energy: -82.029 flat angles C4'-P-C4' energy: -84.478 flat angles P-C4'-P energy: -60.491 tors. eta vs tors. theta energy: -94.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -983.196568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.196568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.196568 (E_RNA) where: Base-Base interactions energy: -624.633 where: short stacking energy: -273.524 Base-Backbone interact. energy: -1.552 local terms energy: -357.011778 where: bonds (distance) C4'-P energy: -76.707 bonds (distance) P-C4' energy: -84.664 flat angles C4'-P-C4' energy: -90.718 flat angles P-C4'-P energy: -55.158 tors. eta vs tors. theta energy: -49.764 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: 2 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -826.780774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.780774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.780774 (E_RNA) where: Base-Base interactions energy: -516.730 where: short stacking energy: -261.588 Base-Backbone interact. energy: 6.555 local terms energy: -316.605523 where: bonds (distance) C4'-P energy: -83.562 bonds (distance) P-C4' energy: -77.547 flat angles C4'-P-C4' energy: -82.711 flat angles P-C4'-P energy: -40.527 tors. eta vs tors. theta energy: -32.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -767.462724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.462724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.462724 (E_RNA) where: Base-Base interactions energy: -474.129 where: short stacking energy: -201.309 Base-Backbone interact. energy: -1.422 local terms energy: -291.912030 where: bonds (distance) C4'-P energy: -72.151 bonds (distance) P-C4' energy: -88.823 flat angles C4'-P-C4' energy: -68.519 flat angles P-C4'-P energy: -31.308 tors. eta vs tors. theta energy: -31.111 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: 5 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1779.754898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.754898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.754898 (E_RNA) where: Base-Base interactions energy: -1249.900 where: short stacking energy: -528.855 Base-Backbone interact. energy: -2.838 local terms energy: -527.017009 where: bonds (distance) C4'-P energy: -89.916 bonds (distance) P-C4' energy: -98.884 flat angles C4'-P-C4' energy: -115.370 flat angles P-C4'-P energy: -82.427 tors. eta vs tors. theta energy: -140.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1660.731194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.731194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.731194 (E_RNA) where: Base-Base interactions energy: -1166.027 where: short stacking energy: -486.754 Base-Backbone interact. energy: 0.762 local terms energy: -495.466344 where: bonds (distance) C4'-P energy: -96.149 bonds (distance) P-C4' energy: -98.939 flat angles C4'-P-C4' energy: -104.502 flat angles P-C4'-P energy: -72.184 tors. eta vs tors. theta energy: -123.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -1608.259758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.259758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.259758 (E_RNA) where: Base-Base interactions energy: -1159.437 where: short stacking energy: -476.388 Base-Backbone interact. energy: -4.182 local terms energy: -444.640237 where: bonds (distance) C4'-P energy: -69.224 bonds (distance) P-C4' energy: -78.400 flat angles C4'-P-C4' energy: -100.978 flat angles P-C4'-P energy: -67.994 tors. eta vs tors. theta energy: -128.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -1547.358317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.358317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.358317 (E_RNA) where: Base-Base interactions energy: -1061.268 where: short stacking energy: -453.454 Base-Backbone interact. energy: -1.425 local terms energy: -484.665851 where: bonds (distance) C4'-P energy: -108.072 bonds (distance) P-C4' energy: -80.563 flat angles C4'-P-C4' energy: -90.644 flat angles P-C4'-P energy: -66.179 tors. eta vs tors. theta energy: -139.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -1430.569866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.569866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.569866 (E_RNA) where: Base-Base interactions energy: -959.882 where: short stacking energy: -417.927 Base-Backbone interact. energy: -0.719 local terms energy: -469.968401 where: bonds (distance) C4'-P energy: -85.901 bonds (distance) P-C4' energy: -110.250 flat angles C4'-P-C4' energy: -109.046 flat angles P-C4'-P energy: -59.746 tors. eta vs tors. theta energy: -105.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -1342.293512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.293512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.293512 (E_RNA) where: Base-Base interactions energy: -875.842 where: short stacking energy: -418.883 Base-Backbone interact. energy: -0.753 local terms energy: -465.698744 where: bonds (distance) C4'-P energy: -83.549 bonds (distance) P-C4' energy: -94.417 flat angles C4'-P-C4' energy: -105.247 flat angles P-C4'-P energy: -59.581 tors. eta vs tors. theta energy: -122.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -1306.649772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.649772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.649772 (E_RNA) where: Base-Base interactions energy: -879.602 where: short stacking energy: -369.726 Base-Backbone interact. energy: -0.707 local terms energy: -426.340734 where: bonds (distance) C4'-P energy: -88.717 bonds (distance) P-C4' energy: -96.025 flat angles C4'-P-C4' energy: -83.333 flat angles P-C4'-P energy: -66.024 tors. eta vs tors. theta energy: -92.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -968.108152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.108152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.108152 (E_RNA) where: Base-Base interactions energy: -608.037 where: short stacking energy: -283.606 Base-Backbone interact. energy: -2.313 local terms energy: -357.758004 where: bonds (distance) C4'-P energy: -84.226 bonds (distance) P-C4' energy: -87.695 flat angles C4'-P-C4' energy: -89.939 flat angles P-C4'-P energy: -50.332 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: 9, replica: 2 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -803.145933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.145933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.145933 (E_RNA) where: Base-Base interactions energy: -470.976 where: short stacking energy: -228.059 Base-Backbone interact. energy: -1.714 local terms energy: -330.455361 where: bonds (distance) C4'-P energy: -78.229 bonds (distance) P-C4' energy: -76.275 flat angles C4'-P-C4' energy: -93.130 flat angles P-C4'-P energy: -48.206 tors. eta vs tors. theta energy: -34.616 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: 6 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -729.559391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.559391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.559391 (E_RNA) where: Base-Base interactions energy: -462.264 where: short stacking energy: -227.960 Base-Backbone interact. energy: -2.256 local terms energy: -265.038921 where: bonds (distance) C4'-P energy: -65.233 bonds (distance) P-C4' energy: -71.717 flat angles C4'-P-C4' energy: -66.990 flat angles P-C4'-P energy: -37.487 tors. eta vs tors. theta energy: -23.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1789.380113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.380113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.380113 (E_RNA) where: Base-Base interactions energy: -1246.040 where: short stacking energy: -525.520 Base-Backbone interact. energy: -2.177 local terms energy: -541.162722 where: bonds (distance) C4'-P energy: -93.860 bonds (distance) P-C4' energy: -104.342 flat angles C4'-P-C4' energy: -116.408 flat angles P-C4'-P energy: -79.031 tors. eta vs tors. theta energy: -147.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -1668.250389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.250389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.250389 (E_RNA) where: Base-Base interactions energy: -1152.706 where: short stacking energy: -481.981 Base-Backbone interact. energy: -1.267 local terms energy: -514.278012 where: bonds (distance) C4'-P energy: -94.178 bonds (distance) P-C4' energy: -96.688 flat angles C4'-P-C4' energy: -113.188 flat angles P-C4'-P energy: -83.746 tors. eta vs tors. theta energy: -126.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1600.035619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.035619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.035619 (E_RNA) where: Base-Base interactions energy: -1120.683 where: short stacking energy: -487.316 Base-Backbone interact. energy: -3.685 local terms energy: -475.667512 where: bonds (distance) C4'-P energy: -84.694 bonds (distance) P-C4' energy: -94.687 flat angles C4'-P-C4' energy: -104.659 flat angles P-C4'-P energy: -60.684 tors. eta vs tors. theta energy: -130.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -1553.962232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.962232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.962232 (E_RNA) where: Base-Base interactions energy: -1081.330 where: short stacking energy: -495.463 Base-Backbone interact. energy: 2.718 local terms energy: -475.350714 where: bonds (distance) C4'-P energy: -87.988 bonds (distance) P-C4' energy: -93.700 flat angles C4'-P-C4' energy: -97.761 flat angles P-C4'-P energy: -57.845 tors. eta vs tors. theta energy: -138.057 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: 8 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -1428.115781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.115781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.115781 (E_RNA) where: Base-Base interactions energy: -979.378 where: short stacking energy: -420.387 Base-Backbone interact. energy: -0.479 local terms energy: -448.258752 where: bonds (distance) C4'-P energy: -97.028 bonds (distance) P-C4' energy: -89.405 flat angles C4'-P-C4' energy: -104.277 flat angles P-C4'-P energy: -56.274 tors. eta vs tors. theta energy: -101.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -1331.622109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.622109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.622109 (E_RNA) where: Base-Base interactions energy: -901.448 where: short stacking energy: -421.790 Base-Backbone interact. energy: -1.860 local terms energy: -428.313519 where: bonds (distance) C4'-P energy: -92.028 bonds (distance) P-C4' energy: -93.558 flat angles C4'-P-C4' energy: -87.100 flat angles P-C4'-P energy: -54.584 tors. eta vs tors. theta energy: -101.043 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: 3 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -1297.067127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.067127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.067127 (E_RNA) where: Base-Base interactions energy: -892.991 where: short stacking energy: -383.625 Base-Backbone interact. energy: -2.241 local terms energy: -401.835663 where: bonds (distance) C4'-P energy: -88.644 bonds (distance) P-C4' energy: -74.910 flat angles C4'-P-C4' energy: -85.345 flat angles P-C4'-P energy: -62.709 tors. eta vs tors. theta energy: -90.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -946.360453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.360453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.360453 (E_RNA) where: Base-Base interactions energy: -611.555 where: short stacking energy: -285.060 Base-Backbone interact. energy: -1.624 local terms energy: -333.181486 where: bonds (distance) C4'-P energy: -90.373 bonds (distance) P-C4' energy: -76.400 flat angles C4'-P-C4' energy: -83.240 flat angles P-C4'-P energy: -27.802 tors. eta vs tors. theta energy: -55.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -759.587405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.587405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.587405 (E_RNA) where: Base-Base interactions energy: -462.065 where: short stacking energy: -229.275 Base-Backbone interact. energy: 0.753 local terms energy: -298.275917 where: bonds (distance) C4'-P energy: -70.305 bonds (distance) P-C4' energy: -86.046 flat angles C4'-P-C4' energy: -72.000 flat angles P-C4'-P energy: -38.494 tors. eta vs tors. theta energy: -31.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 6 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -742.912515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.912515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.912515 (E_RNA) where: Base-Base interactions energy: -436.060 where: short stacking energy: -187.620 Base-Backbone interact. energy: -1.752 local terms energy: -305.100214 where: bonds (distance) C4'-P energy: -80.861 bonds (distance) P-C4' energy: -89.935 flat angles C4'-P-C4' energy: -75.915 flat angles P-C4'-P energy: -39.968 tors. eta vs tors. theta energy: -18.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1763.460001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.460001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.460001 (E_RNA) where: Base-Base interactions energy: -1217.835 where: short stacking energy: -514.160 Base-Backbone interact. energy: -1.056 local terms energy: -544.569022 where: bonds (distance) C4'-P energy: -109.907 bonds (distance) P-C4' energy: -100.159 flat angles C4'-P-C4' energy: -111.763 flat angles P-C4'-P energy: -79.806 tors. eta vs tors. theta energy: -142.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1648.038018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.038018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.038018 (E_RNA) where: Base-Base interactions energy: -1151.655 where: short stacking energy: -501.944 Base-Backbone interact. energy: -1.573 local terms energy: -494.809699 where: bonds (distance) C4'-P energy: -92.762 bonds (distance) P-C4' energy: -101.457 flat angles C4'-P-C4' energy: -104.678 flat angles P-C4'-P energy: -69.171 tors. eta vs tors. theta energy: -126.743 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: 7 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -1592.004200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.004200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.004200 (E_RNA) where: Base-Base interactions energy: -1102.495 where: short stacking energy: -478.662 Base-Backbone interact. energy: -6.446 local terms energy: -483.062499 where: bonds (distance) C4'-P energy: -88.503 bonds (distance) P-C4' energy: -106.492 flat angles C4'-P-C4' energy: -95.384 flat angles P-C4'-P energy: -66.334 tors. eta vs tors. theta energy: -126.349 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: 4, replica: 9 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -1520.401138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.401138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.401138 (E_RNA) where: Base-Base interactions energy: -1034.328 where: short stacking energy: -440.733 Base-Backbone interact. energy: 1.620 local terms energy: -487.692660 where: bonds (distance) C4'-P energy: -95.259 bonds (distance) P-C4' energy: -79.893 flat angles C4'-P-C4' energy: -110.549 flat angles P-C4'-P energy: -64.850 tors. eta vs tors. theta energy: -137.141 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: 8 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -1418.955748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.955748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.955748 (E_RNA) where: Base-Base interactions energy: -978.999 where: short stacking energy: -408.108 Base-Backbone interact. energy: 0.805 local terms energy: -440.761639 where: bonds (distance) C4'-P energy: -75.285 bonds (distance) P-C4' energy: -91.762 flat angles C4'-P-C4' energy: -95.347 flat angles P-C4'-P energy: -67.136 tors. eta vs tors. theta energy: -111.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -1332.902710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.902710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.902710 (E_RNA) where: Base-Base interactions energy: -901.190 where: short stacking energy: -428.283 Base-Backbone interact. energy: 4.734 local terms energy: -436.447109 where: bonds (distance) C4'-P energy: -88.172 bonds (distance) P-C4' energy: -90.733 flat angles C4'-P-C4' energy: -83.128 flat angles P-C4'-P energy: -59.230 tors. eta vs tors. theta energy: -115.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -1246.497885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.497885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.497885 (E_RNA) where: Base-Base interactions energy: -834.049 where: short stacking energy: -389.785 Base-Backbone interact. energy: -0.434 local terms energy: -412.014741 where: bonds (distance) C4'-P energy: -77.900 bonds (distance) P-C4' energy: -79.724 flat angles C4'-P-C4' energy: -101.958 flat angles P-C4'-P energy: -48.850 tors. eta vs tors. theta energy: -103.583 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: 10 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -910.857981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.857981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.857981 (E_RNA) where: Base-Base interactions energy: -561.355 where: short stacking energy: -290.898 Base-Backbone interact. energy: 0.236 local terms energy: -349.739660 where: bonds (distance) C4'-P energy: -89.114 bonds (distance) P-C4' energy: -78.254 flat angles C4'-P-C4' energy: -83.824 flat angles P-C4'-P energy: -49.604 tors. eta vs tors. theta energy: -48.945 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: 2 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -766.949477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.949477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.949477 (E_RNA) where: Base-Base interactions energy: -448.953 where: short stacking energy: -213.580 Base-Backbone interact. energy: -0.254 local terms energy: -317.742529 where: bonds (distance) C4'-P energy: -75.676 bonds (distance) P-C4' energy: -81.556 flat angles C4'-P-C4' energy: -86.920 flat angles P-C4'-P energy: -47.872 tors. eta vs tors. theta energy: -25.718 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: 10, replica: 6 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -738.922943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.922943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.922943 (E_RNA) where: Base-Base interactions energy: -442.952 where: short stacking energy: -217.764 Base-Backbone interact. energy: 10.019 local terms energy: -305.989151 where: bonds (distance) C4'-P energy: -84.143 bonds (distance) P-C4' energy: -82.063 flat angles C4'-P-C4' energy: -82.686 flat angles P-C4'-P energy: -40.204 tors. eta vs tors. theta energy: -16.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1769.725820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.725820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.725820 (E_RNA) where: Base-Base interactions energy: -1235.801 where: short stacking energy: -524.148 Base-Backbone interact. energy: -4.473 local terms energy: -529.452037 where: bonds (distance) C4'-P energy: -93.564 bonds (distance) P-C4' energy: -103.119 flat angles C4'-P-C4' energy: -100.005 flat angles P-C4'-P energy: -79.402 tors. eta vs tors. theta energy: -153.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1659.332653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.332653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.332653 (E_RNA) where: Base-Base interactions energy: -1194.144 where: short stacking energy: -506.504 Base-Backbone interact. energy: -1.127 local terms energy: -464.062452 where: bonds (distance) C4'-P energy: -71.361 bonds (distance) P-C4' energy: -90.244 flat angles C4'-P-C4' energy: -103.591 flat angles P-C4'-P energy: -70.569 tors. eta vs tors. theta energy: -128.298 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: 7 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1611.526324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.526324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.526324 (E_RNA) where: Base-Base interactions energy: -1127.405 where: short stacking energy: -472.225 Base-Backbone interact. energy: -2.721 local terms energy: -481.399881 where: bonds (distance) C4'-P energy: -97.349 bonds (distance) P-C4' energy: -85.621 flat angles C4'-P-C4' energy: -104.885 flat angles P-C4'-P energy: -73.211 tors. eta vs tors. theta energy: -120.334 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: 9 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -1523.045593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.045593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.045593 (E_RNA) where: Base-Base interactions energy: -1057.846 where: short stacking energy: -457.874 Base-Backbone interact. energy: -3.273 local terms energy: -461.927281 where: bonds (distance) C4'-P energy: -88.746 bonds (distance) P-C4' energy: -84.398 flat angles C4'-P-C4' energy: -96.395 flat angles P-C4'-P energy: -67.704 tors. eta vs tors. theta energy: -124.685 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: 8 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -1432.090610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.090610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.090610 (E_RNA) where: Base-Base interactions energy: -994.818 where: short stacking energy: -429.462 Base-Backbone interact. energy: -1.478 local terms energy: -435.794823 where: bonds (distance) C4'-P energy: -88.976 bonds (distance) P-C4' energy: -89.345 flat angles C4'-P-C4' energy: -101.848 flat angles P-C4'-P energy: -50.211 tors. eta vs tors. theta energy: -105.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -1302.623882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.623882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.623882 (E_RNA) where: Base-Base interactions energy: -867.259 where: short stacking energy: -373.815 Base-Backbone interact. energy: 0.390 local terms energy: -435.755454 where: bonds (distance) C4'-P energy: -86.517 bonds (distance) P-C4' energy: -82.163 flat angles C4'-P-C4' energy: -95.895 flat angles P-C4'-P energy: -67.513 tors. eta vs tors. theta energy: -103.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -1302.401800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.401800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.401800 (E_RNA) where: Base-Base interactions energy: -891.157 where: short stacking energy: -387.936 Base-Backbone interact. energy: -1.051 local terms energy: -410.193091 where: bonds (distance) C4'-P energy: -92.872 bonds (distance) P-C4' energy: -87.664 flat angles C4'-P-C4' energy: -86.286 flat angles P-C4'-P energy: -37.012 tors. eta vs tors. theta energy: -106.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -851.258119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.258119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.258119 (E_RNA) where: Base-Base interactions energy: -528.061 where: short stacking energy: -237.422 Base-Backbone interact. energy: 2.803 local terms energy: -325.999422 where: bonds (distance) C4'-P energy: -85.477 bonds (distance) P-C4' energy: -72.211 flat angles C4'-P-C4' energy: -87.364 flat angles P-C4'-P energy: -47.226 tors. eta vs tors. theta energy: -33.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -810.297398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.297398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.297398 (E_RNA) where: Base-Base interactions energy: -478.357 where: short stacking energy: -253.168 Base-Backbone interact. energy: 3.628 local terms energy: -335.568333 where: bonds (distance) C4'-P energy: -83.481 bonds (distance) P-C4' energy: -91.521 flat angles C4'-P-C4' energy: -75.782 flat angles P-C4'-P energy: -48.189 tors. eta vs tors. theta energy: -36.594 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: 2 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -724.306395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.306395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.306395 (E_RNA) where: Base-Base interactions energy: -437.643 where: short stacking energy: -209.097 Base-Backbone interact. energy: -1.050 local terms energy: -285.613387 where: bonds (distance) C4'-P energy: -78.838 bonds (distance) P-C4' energy: -78.995 flat angles C4'-P-C4' energy: -72.526 flat angles P-C4'-P energy: -42.227 tors. eta vs tors. theta energy: -13.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1795.339294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.339294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.339294 (E_RNA) where: Base-Base interactions energy: -1254.434 where: short stacking energy: -532.152 Base-Backbone interact. energy: -0.562 local terms energy: -540.343724 where: bonds (distance) C4'-P energy: -101.450 bonds (distance) P-C4' energy: -93.902 flat angles C4'-P-C4' energy: -113.606 flat angles P-C4'-P energy: -81.399 tors. eta vs tors. theta energy: -149.987 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: 2, replica: 7 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1627.577801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.577801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.577801 (E_RNA) where: Base-Base interactions energy: -1128.392 where: short stacking energy: -470.052 Base-Backbone interact. energy: -3.428 local terms energy: -495.757629 where: bonds (distance) C4'-P energy: -93.451 bonds (distance) P-C4' energy: -109.439 flat angles C4'-P-C4' energy: -100.462 flat angles P-C4'-P energy: -69.844 tors. eta vs tors. theta energy: -122.563 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: 3, replica: 1 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1641.214172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.214172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.214172 (E_RNA) where: Base-Base interactions energy: -1156.736 where: short stacking energy: -477.502 Base-Backbone interact. energy: 5.223 local terms energy: -489.701196 where: bonds (distance) C4'-P energy: -90.810 bonds (distance) P-C4' energy: -98.040 flat angles C4'-P-C4' energy: -104.194 flat angles P-C4'-P energy: -75.940 tors. eta vs tors. theta energy: -120.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -1542.376490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.376490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.376490 (E_RNA) where: Base-Base interactions energy: -1063.008 where: short stacking energy: -458.702 Base-Backbone interact. energy: -1.825 local terms energy: -477.543194 where: bonds (distance) C4'-P energy: -98.145 bonds (distance) P-C4' energy: -96.977 flat angles C4'-P-C4' energy: -95.227 flat angles P-C4'-P energy: -64.500 tors. eta vs tors. theta energy: -122.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -1449.156491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.156491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.156491 (E_RNA) where: Base-Base interactions energy: -1003.855 where: short stacking energy: -410.724 Base-Backbone interact. energy: -0.245 local terms energy: -445.056446 where: bonds (distance) C4'-P energy: -89.490 bonds (distance) P-C4' energy: -86.718 flat angles C4'-P-C4' energy: -94.543 flat angles P-C4'-P energy: -57.135 tors. eta vs tors. theta energy: -117.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -1358.246330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.246330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.246330 (E_RNA) where: Base-Base interactions energy: -921.916 where: short stacking energy: -385.028 Base-Backbone interact. energy: -4.748 local terms energy: -431.582649 where: bonds (distance) C4'-P energy: -93.704 bonds (distance) P-C4' energy: -81.904 flat angles C4'-P-C4' energy: -95.645 flat angles P-C4'-P energy: -62.317 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: 7, replica: 4 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -1304.793427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.793427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.793427 (E_RNA) where: Base-Base interactions energy: -890.170 where: short stacking energy: -393.546 Base-Backbone interact. energy: -3.867 local terms energy: -410.756143 where: bonds (distance) C4'-P energy: -74.940 bonds (distance) P-C4' energy: -93.464 flat angles C4'-P-C4' energy: -93.234 flat angles P-C4'-P energy: -52.584 tors. eta vs tors. theta energy: -96.535 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: 10 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -879.249713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.249713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.249713 (E_RNA) where: Base-Base interactions energy: -545.520 where: short stacking energy: -257.306 Base-Backbone interact. energy: 1.425 local terms energy: -335.154843 where: bonds (distance) C4'-P energy: -86.583 bonds (distance) P-C4' energy: -76.886 flat angles C4'-P-C4' energy: -83.494 flat angles P-C4'-P energy: -39.563 tors. eta vs tors. theta energy: -48.630 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: 6 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -805.114815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.114815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.114815 (E_RNA) where: Base-Base interactions energy: -497.241 where: short stacking energy: -230.488 Base-Backbone interact. energy: 1.609 local terms energy: -309.483028 where: bonds (distance) C4'-P energy: -74.632 bonds (distance) P-C4' energy: -88.100 flat angles C4'-P-C4' energy: -64.961 flat angles P-C4'-P energy: -46.124 tors. eta vs tors. theta energy: -35.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -706.241546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.241546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.241546 (E_RNA) where: Base-Base interactions energy: -398.894 where: short stacking energy: -209.200 Base-Backbone interact. energy: -2.262 local terms energy: -305.085857 where: bonds (distance) C4'-P energy: -87.392 bonds (distance) P-C4' energy: -87.649 flat angles C4'-P-C4' energy: -61.899 flat angles P-C4'-P energy: -35.414 tors. eta vs tors. theta energy: -32.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1764.285740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.285740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.285740 (E_RNA) where: Base-Base interactions energy: -1229.120 where: short stacking energy: -530.388 Base-Backbone interact. energy: -1.168 local terms energy: -533.997745 where: bonds (distance) C4'-P energy: -99.836 bonds (distance) P-C4' energy: -94.883 flat angles C4'-P-C4' energy: -109.899 flat angles P-C4'-P energy: -74.799 tors. eta vs tors. theta energy: -154.582 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: 7 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1629.376911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.376911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.376911 (E_RNA) where: Base-Base interactions energy: -1144.380 where: short stacking energy: -467.969 Base-Backbone interact. energy: -2.984 local terms energy: -482.013062 where: bonds (distance) C4'-P energy: -93.557 bonds (distance) P-C4' energy: -94.483 flat angles C4'-P-C4' energy: -101.532 flat angles P-C4'-P energy: -63.368 tors. eta vs tors. theta energy: -129.074 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: 114 Temperature: 1.000000 Total energy: -1622.658591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.658591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.658591 (E_RNA) where: Base-Base interactions energy: -1163.612 where: short stacking energy: -465.149 Base-Backbone interact. energy: 4.310 local terms energy: -463.357331 where: bonds (distance) C4'-P energy: -77.778 bonds (distance) P-C4' energy: -104.519 flat angles C4'-P-C4' energy: -100.411 flat angles P-C4'-P energy: -60.137 tors. eta vs tors. theta energy: -120.513 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: 4, replica: 9 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -1558.618079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.618079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.618079 (E_RNA) where: Base-Base interactions energy: -1062.281 where: short stacking energy: -469.706 Base-Backbone interact. energy: -3.544 local terms energy: -492.793145 where: bonds (distance) C4'-P energy: -99.762 bonds (distance) P-C4' energy: -94.660 flat angles C4'-P-C4' energy: -103.283 flat angles P-C4'-P energy: -70.604 tors. eta vs tors. theta energy: -124.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -1445.721271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.721271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.721271 (E_RNA) where: Base-Base interactions energy: -1008.058 where: short stacking energy: -429.260 Base-Backbone interact. energy: 0.126 local terms energy: -437.788421 where: bonds (distance) C4'-P energy: -97.420 bonds (distance) P-C4' energy: -82.185 flat angles C4'-P-C4' energy: -95.642 flat angles P-C4'-P energy: -55.185 tors. eta vs tors. theta energy: -107.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -1349.080191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.080191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.080191 (E_RNA) where: Base-Base interactions energy: -912.434 where: short stacking energy: -397.164 Base-Backbone interact. energy: -1.426 local terms energy: -435.220090 where: bonds (distance) C4'-P energy: -91.399 bonds (distance) P-C4' energy: -97.439 flat angles C4'-P-C4' energy: -77.711 flat angles P-C4'-P energy: -57.674 tors. eta vs tors. theta energy: -110.996 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: 7, replica: 4 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -1360.350030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.350030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.350030 (E_RNA) where: Base-Base interactions energy: -930.390 where: short stacking energy: -417.056 Base-Backbone interact. energy: -2.952 local terms energy: -427.007949 where: bonds (distance) C4'-P energy: -71.045 bonds (distance) P-C4' energy: -82.333 flat angles C4'-P-C4' energy: -101.587 flat angles P-C4'-P energy: -58.536 tors. eta vs tors. theta energy: -113.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -820.248032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.248032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.248032 (E_RNA) where: Base-Base interactions energy: -517.413 where: short stacking energy: -228.031 Base-Backbone interact. energy: 0.107 local terms energy: -302.942593 where: bonds (distance) C4'-P energy: -84.440 bonds (distance) P-C4' energy: -77.267 flat angles C4'-P-C4' energy: -71.105 flat angles P-C4'-P energy: -51.662 tors. eta vs tors. theta energy: -18.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 6 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -795.588000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.588000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.588000 (E_RNA) where: Base-Base interactions energy: -482.726 where: short stacking energy: -249.447 Base-Backbone interact. energy: 0.227 local terms energy: -313.089180 where: bonds (distance) C4'-P energy: -68.868 bonds (distance) P-C4' energy: -86.244 flat angles C4'-P-C4' energy: -73.139 flat angles P-C4'-P energy: -35.447 tors. eta vs tors. theta energy: -49.391 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: 2 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -651.564496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.564496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.564496 (E_RNA) where: Base-Base interactions energy: -396.422 where: short stacking energy: -213.203 Base-Backbone interact. energy: -0.126 local terms energy: -255.016732 where: bonds (distance) C4'-P energy: -60.725 bonds (distance) P-C4' energy: -82.940 flat angles C4'-P-C4' energy: -61.454 flat angles P-C4'-P energy: -29.988 tors. eta vs tors. theta energy: -19.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1784.968679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.968679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.968679 (E_RNA) where: Base-Base interactions energy: -1229.535 where: short stacking energy: -532.403 Base-Backbone interact. energy: -2.077 local terms energy: -553.357158 where: bonds (distance) C4'-P energy: -93.680 bonds (distance) P-C4' energy: -99.925 flat angles C4'-P-C4' energy: -116.462 flat angles P-C4'-P energy: -82.820 tors. eta vs tors. theta energy: -160.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1634.449895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.449895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.449895 (E_RNA) where: Base-Base interactions energy: -1148.234 where: short stacking energy: -470.263 Base-Backbone interact. energy: -3.617 local terms energy: -482.598625 where: bonds (distance) C4'-P energy: -82.961 bonds (distance) P-C4' energy: -93.444 flat angles C4'-P-C4' energy: -103.740 flat angles P-C4'-P energy: -68.358 tors. eta vs tors. theta energy: -134.095 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: 1 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -1620.227680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.227680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.227680 (E_RNA) where: Base-Base interactions energy: -1125.695 where: short stacking energy: -472.030 Base-Backbone interact. energy: 3.527 local terms energy: -498.059803 where: bonds (distance) C4'-P energy: -94.593 bonds (distance) P-C4' energy: -102.057 flat angles C4'-P-C4' energy: -110.766 flat angles P-C4'-P energy: -66.185 tors. eta vs tors. theta energy: -124.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -1558.696705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.696705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.696705 (E_RNA) where: Base-Base interactions energy: -1089.767 where: short stacking energy: -471.465 Base-Backbone interact. energy: -2.027 local terms energy: -466.903194 where: bonds (distance) C4'-P energy: -77.450 bonds (distance) P-C4' energy: -95.702 flat angles C4'-P-C4' energy: -98.024 flat angles P-C4'-P energy: -56.667 tors. eta vs tors. theta energy: -139.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -1430.589728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.589728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.589728 (E_RNA) where: Base-Base interactions energy: -984.512 where: short stacking energy: -428.141 Base-Backbone interact. energy: -3.630 local terms energy: -442.447961 where: bonds (distance) C4'-P energy: -84.163 bonds (distance) P-C4' energy: -107.073 flat angles C4'-P-C4' energy: -102.003 flat angles P-C4'-P energy: -53.420 tors. eta vs tors. theta energy: -95.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -1366.847573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.847573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.847573 (E_RNA) where: Base-Base interactions energy: -924.937 where: short stacking energy: -400.081 Base-Backbone interact. energy: -2.205 local terms energy: -439.706161 where: bonds (distance) C4'-P energy: -91.320 bonds (distance) P-C4' energy: -92.236 flat angles C4'-P-C4' energy: -96.966 flat angles P-C4'-P energy: -62.075 tors. eta vs tors. theta energy: -97.110 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: 4 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -1295.483550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.483550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.483550 (E_RNA) where: Base-Base interactions energy: -879.119 where: short stacking energy: -390.350 Base-Backbone interact. energy: -0.886 local terms energy: -415.478276 where: bonds (distance) C4'-P energy: -86.419 bonds (distance) P-C4' energy: -74.501 flat angles C4'-P-C4' energy: -86.683 flat angles P-C4'-P energy: -61.023 tors. eta vs tors. theta energy: -106.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -888.354158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.354158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.354158 (E_RNA) where: Base-Base interactions energy: -568.033 where: short stacking energy: -250.961 Base-Backbone interact. energy: -2.456 local terms energy: -317.865169 where: bonds (distance) C4'-P energy: -68.076 bonds (distance) P-C4' energy: -84.604 flat angles C4'-P-C4' energy: -80.500 flat angles P-C4'-P energy: -52.270 tors. eta vs tors. theta energy: -32.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -820.623876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.623876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.623876 (E_RNA) where: Base-Base interactions energy: -492.968 where: short stacking energy: -229.969 Base-Backbone interact. energy: 6.698 local terms energy: -334.353227 where: bonds (distance) C4'-P energy: -69.574 bonds (distance) P-C4' energy: -99.759 flat angles C4'-P-C4' energy: -91.211 flat angles P-C4'-P energy: -38.692 tors. eta vs tors. theta energy: -35.116 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: 2 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -636.491709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.491709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.491709 (E_RNA) where: Base-Base interactions energy: -353.830 where: short stacking energy: -179.043 Base-Backbone interact. energy: -0.360 local terms energy: -282.302520 where: bonds (distance) C4'-P energy: -100.570 bonds (distance) P-C4' energy: -75.889 flat angles C4'-P-C4' energy: -55.641 flat angles P-C4'-P energy: -34.587 tors. eta vs tors. theta energy: -15.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1754.928822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.928822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.928822 (E_RNA) where: Base-Base interactions energy: -1210.775 where: short stacking energy: -519.900 Base-Backbone interact. energy: -3.350 local terms energy: -540.803689 where: bonds (distance) C4'-P energy: -96.915 bonds (distance) P-C4' energy: -101.956 flat angles C4'-P-C4' energy: -110.479 flat angles P-C4'-P energy: -81.744 tors. eta vs tors. theta energy: -149.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1633.678816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.678816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.678816 (E_RNA) where: Base-Base interactions energy: -1148.324 where: short stacking energy: -475.417 Base-Backbone interact. energy: -5.500 local terms energy: -479.854526 where: bonds (distance) C4'-P energy: -86.594 bonds (distance) P-C4' energy: -90.382 flat angles C4'-P-C4' energy: -108.030 flat angles P-C4'-P energy: -67.395 tors. eta vs tors. theta energy: -127.453 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: 1 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -1594.172295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.172295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.172295 (E_RNA) where: Base-Base interactions energy: -1112.746 where: short stacking energy: -466.351 Base-Backbone interact. energy: -0.484 local terms energy: -480.942743 where: bonds (distance) C4'-P energy: -100.935 bonds (distance) P-C4' energy: -104.542 flat angles C4'-P-C4' energy: -94.753 flat angles P-C4'-P energy: -75.585 tors. eta vs tors. theta energy: -105.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -1570.839041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.839041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.839041 (E_RNA) where: Base-Base interactions energy: -1082.868 where: short stacking energy: -465.010 Base-Backbone interact. energy: -2.907 local terms energy: -485.063793 where: bonds (distance) C4'-P energy: -89.094 bonds (distance) P-C4' energy: -96.540 flat angles C4'-P-C4' energy: -107.789 flat angles P-C4'-P energy: -62.419 tors. eta vs tors. theta energy: -129.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -1432.740940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.740940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.740940 (E_RNA) where: Base-Base interactions energy: -988.457 where: short stacking energy: -430.227 Base-Backbone interact. energy: -3.359 local terms energy: -440.924630 where: bonds (distance) C4'-P energy: -83.599 bonds (distance) P-C4' energy: -79.015 flat angles C4'-P-C4' energy: -101.424 flat angles P-C4'-P energy: -64.934 tors. eta vs tors. theta energy: -111.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -1388.429557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.429557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.429557 (E_RNA) where: Base-Base interactions energy: -961.587 where: short stacking energy: -411.136 Base-Backbone interact. energy: -0.998 local terms energy: -425.844001 where: bonds (distance) C4'-P energy: -91.291 bonds (distance) P-C4' energy: -87.119 flat angles C4'-P-C4' energy: -88.411 flat angles P-C4'-P energy: -59.943 tors. eta vs tors. theta energy: -99.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -1305.278948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.278948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.278948 (E_RNA) where: Base-Base interactions energy: -905.691 where: short stacking energy: -397.586 Base-Backbone interact. energy: 0.796 local terms energy: -400.383747 where: bonds (distance) C4'-P energy: -74.060 bonds (distance) P-C4' energy: -86.244 flat angles C4'-P-C4' energy: -95.315 flat angles P-C4'-P energy: -46.577 tors. eta vs tors. theta energy: -98.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -998.193836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.193836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.193836 (E_RNA) where: Base-Base interactions energy: -636.854 where: short stacking energy: -294.133 Base-Backbone interact. energy: 0.565 local terms energy: -361.904578 where: bonds (distance) C4'-P energy: -80.673 bonds (distance) P-C4' energy: -86.631 flat angles C4'-P-C4' energy: -91.758 flat angles P-C4'-P energy: -46.606 tors. eta vs tors. theta energy: -56.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -830.044054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.044054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.044054 (E_RNA) where: Base-Base interactions energy: -508.944 where: short stacking energy: -256.087 Base-Backbone interact. energy: -1.653 local terms energy: -319.447672 where: bonds (distance) C4'-P energy: -82.295 bonds (distance) P-C4' energy: -82.888 flat angles C4'-P-C4' energy: -73.525 flat angles P-C4'-P energy: -44.285 tors. eta vs tors. theta energy: -36.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -593.476735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.476735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.476735 (E_RNA) where: Base-Base interactions energy: -317.842 where: short stacking energy: -168.638 Base-Backbone interact. energy: 1.104 local terms energy: -276.738631 where: bonds (distance) C4'-P energy: -74.934 bonds (distance) P-C4' energy: -70.172 flat angles C4'-P-C4' energy: -84.860 flat angles P-C4'-P energy: -42.527 tors. eta vs tors. theta energy: -4.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1764.636123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.636123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.636123 (E_RNA) where: Base-Base interactions energy: -1237.835 where: short stacking energy: -535.620 Base-Backbone interact. energy: -1.755 local terms energy: -525.045716 where: bonds (distance) C4'-P energy: -103.430 bonds (distance) P-C4' energy: -98.885 flat angles C4'-P-C4' energy: -106.623 flat angles P-C4'-P energy: -67.646 tors. eta vs tors. theta energy: -148.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1624.624211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.624211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.624211 (E_RNA) where: Base-Base interactions energy: -1148.105 where: short stacking energy: -479.301 Base-Backbone interact. energy: -2.811 local terms energy: -473.708780 where: bonds (distance) C4'-P energy: -96.273 bonds (distance) P-C4' energy: -94.132 flat angles C4'-P-C4' energy: -109.139 flat angles P-C4'-P energy: -55.535 tors. eta vs tors. theta energy: -118.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1598.185459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.185459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.185459 (E_RNA) where: Base-Base interactions energy: -1124.274 where: short stacking energy: -481.910 Base-Backbone interact. energy: 1.091 local terms energy: -475.002794 where: bonds (distance) C4'-P energy: -91.984 bonds (distance) P-C4' energy: -99.539 flat angles C4'-P-C4' energy: -93.171 flat angles P-C4'-P energy: -72.016 tors. eta vs tors. theta energy: -118.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -1516.441984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.441984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.441984 (E_RNA) where: Base-Base interactions energy: -1062.593 where: short stacking energy: -456.368 Base-Backbone interact. energy: -3.180 local terms energy: -450.669429 where: bonds (distance) C4'-P energy: -73.900 bonds (distance) P-C4' energy: -97.892 flat angles C4'-P-C4' energy: -98.741 flat angles P-C4'-P energy: -49.582 tors. eta vs tors. theta energy: -130.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -1453.003664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1453.003664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1453.003664 (E_RNA) where: Base-Base interactions energy: -1016.850 where: short stacking energy: -417.591 Base-Backbone interact. energy: -4.585 local terms energy: -431.569276 where: bonds (distance) C4'-P energy: -76.992 bonds (distance) P-C4' energy: -87.539 flat angles C4'-P-C4' energy: -98.827 flat angles P-C4'-P energy: -67.607 tors. eta vs tors. theta energy: -100.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -1431.926072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.926072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.926072 (E_RNA) where: Base-Base interactions energy: -971.763 where: short stacking energy: -430.582 Base-Backbone interact. energy: -0.591 local terms energy: -459.571675 where: bonds (distance) C4'-P energy: -90.921 bonds (distance) P-C4' energy: -89.895 flat angles C4'-P-C4' energy: -85.512 flat angles P-C4'-P energy: -72.753 tors. eta vs tors. theta energy: -120.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -1322.304162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.304162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.304162 (E_RNA) where: Base-Base interactions energy: -915.474 where: short stacking energy: -389.860 Base-Backbone interact. energy: -0.929 local terms energy: -405.901524 where: bonds (distance) C4'-P energy: -68.202 bonds (distance) P-C4' energy: -82.514 flat angles C4'-P-C4' energy: -93.728 flat angles P-C4'-P energy: -57.478 tors. eta vs tors. theta energy: -103.979 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: 8, replica: 6 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -1038.002109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.002109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.002109 (E_RNA) where: Base-Base interactions energy: -672.982 where: short stacking energy: -297.489 Base-Backbone interact. energy: -0.867 local terms energy: -364.153080 where: bonds (distance) C4'-P energy: -79.518 bonds (distance) P-C4' energy: -91.319 flat angles C4'-P-C4' energy: -82.834 flat angles P-C4'-P energy: -56.015 tors. eta vs tors. theta energy: -54.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -865.628871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.628871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.628871 (E_RNA) where: Base-Base interactions energy: -552.649 where: short stacking energy: -269.242 Base-Backbone interact. energy: 0.464 local terms energy: -313.443601 where: bonds (distance) C4'-P energy: -73.490 bonds (distance) P-C4' energy: -77.536 flat angles C4'-P-C4' energy: -81.108 flat angles P-C4'-P energy: -35.350 tors. eta vs tors. theta energy: -45.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -567.383033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.383033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.383033 (E_RNA) where: Base-Base interactions energy: -289.312 where: short stacking energy: -151.905 Base-Backbone interact. energy: 3.816 local terms energy: -281.886813 where: bonds (distance) C4'-P energy: -87.129 bonds (distance) P-C4' energy: -89.222 flat angles C4'-P-C4' energy: -61.971 flat angles P-C4'-P energy: -39.991 tors. eta vs tors. theta energy: -3.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1777.991949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.991949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.991949 (E_RNA) where: Base-Base interactions energy: -1250.097 where: short stacking energy: -545.695 Base-Backbone interact. energy: -1.675 local terms energy: -526.219298 where: bonds (distance) C4'-P energy: -94.223 bonds (distance) P-C4' energy: -94.736 flat angles C4'-P-C4' energy: -109.843 flat angles P-C4'-P energy: -80.408 tors. eta vs tors. theta energy: -147.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1659.459192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.459192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.459192 (E_RNA) where: Base-Base interactions energy: -1194.123 where: short stacking energy: -483.657 Base-Backbone interact. energy: -0.295 local terms energy: -465.041761 where: bonds (distance) C4'-P energy: -91.654 bonds (distance) P-C4' energy: -86.154 flat angles C4'-P-C4' energy: -105.552 flat angles P-C4'-P energy: -64.173 tors. eta vs tors. theta energy: -117.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1607.455610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.455610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.455610 (E_RNA) where: Base-Base interactions energy: -1116.149 where: short stacking energy: -473.965 Base-Backbone interact. energy: -1.592 local terms energy: -489.714270 where: bonds (distance) C4'-P energy: -96.324 bonds (distance) P-C4' energy: -95.884 flat angles C4'-P-C4' energy: -112.715 flat angles P-C4'-P energy: -58.906 tors. eta vs tors. theta energy: -125.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -1482.958063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.958063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.958063 (E_RNA) where: Base-Base interactions energy: -1016.784 where: short stacking energy: -445.633 Base-Backbone interact. energy: -2.060 local terms energy: -464.114897 where: bonds (distance) C4'-P energy: -81.132 bonds (distance) P-C4' energy: -91.835 flat angles C4'-P-C4' energy: -94.359 flat angles P-C4'-P energy: -70.761 tors. eta vs tors. theta energy: -126.028 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: 8 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -1404.431196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.431196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.431196 (E_RNA) where: Base-Base interactions energy: -974.602 where: short stacking energy: -417.436 Base-Backbone interact. energy: -3.477 local terms energy: -426.351753 where: bonds (distance) C4'-P energy: -76.617 bonds (distance) P-C4' energy: -92.393 flat angles C4'-P-C4' energy: -93.225 flat angles P-C4'-P energy: -63.135 tors. eta vs tors. theta energy: -100.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -1410.780147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.780147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.780147 (E_RNA) where: Base-Base interactions energy: -964.118 where: short stacking energy: -416.872 Base-Backbone interact. energy: -2.366 local terms energy: -444.296502 where: bonds (distance) C4'-P energy: -76.064 bonds (distance) P-C4' energy: -85.258 flat angles C4'-P-C4' energy: -105.341 flat angles P-C4'-P energy: -57.376 tors. eta vs tors. theta energy: -120.257 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: 4 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -1313.824241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.824241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.824241 (E_RNA) where: Base-Base interactions energy: -911.987 where: short stacking energy: -393.795 Base-Backbone interact. energy: -2.239 local terms energy: -399.598961 where: bonds (distance) C4'-P energy: -63.800 bonds (distance) P-C4' energy: -76.277 flat angles C4'-P-C4' energy: -92.525 flat angles P-C4'-P energy: -65.455 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: 8, replica: 6 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -964.150010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.150010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.150010 (E_RNA) where: Base-Base interactions energy: -633.085 where: short stacking energy: -309.442 Base-Backbone interact. energy: -1.010 local terms energy: -330.055528 where: bonds (distance) C4'-P energy: -48.826 bonds (distance) P-C4' energy: -75.141 flat angles C4'-P-C4' energy: -87.740 flat angles P-C4'-P energy: -55.604 tors. eta vs tors. theta energy: -62.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -886.163797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.163797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.163797 (E_RNA) where: Base-Base interactions energy: -557.925 where: short stacking energy: -261.000 Base-Backbone interact. energy: -3.176 local terms energy: -325.063413 where: bonds (distance) C4'-P energy: -79.930 bonds (distance) P-C4' energy: -64.792 flat angles C4'-P-C4' energy: -82.641 flat angles P-C4'-P energy: -49.864 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: 2 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -609.255041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.255041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.255041 (E_RNA) where: Base-Base interactions energy: -330.035 where: short stacking energy: -169.593 Base-Backbone interact. energy: -0.955 local terms energy: -278.264139 where: bonds (distance) C4'-P energy: -89.648 bonds (distance) P-C4' energy: -80.327 flat angles C4'-P-C4' energy: -70.149 flat angles P-C4'-P energy: -37.001 tors. eta vs tors. theta energy: -1.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1777.081526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.081526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.081526 (E_RNA) where: Base-Base interactions energy: -1259.628 where: short stacking energy: -545.149 Base-Backbone interact. energy: -0.738 local terms energy: -516.715847 where: bonds (distance) C4'-P energy: -92.085 bonds (distance) P-C4' energy: -87.869 flat angles C4'-P-C4' energy: -114.397 flat angles P-C4'-P energy: -73.259 tors. eta vs tors. theta energy: -149.105 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: 7 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1632.038225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.038225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.038225 (E_RNA) where: Base-Base interactions energy: -1155.355 where: short stacking energy: -482.322 Base-Backbone interact. energy: -0.475 local terms energy: -476.208141 where: bonds (distance) C4'-P energy: -86.665 bonds (distance) P-C4' energy: -101.295 flat angles C4'-P-C4' energy: -104.414 flat angles P-C4'-P energy: -62.550 tors. eta vs tors. theta energy: -121.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -1615.519630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.519630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.519630 (E_RNA) where: Base-Base interactions energy: -1119.683 where: short stacking energy: -469.476 Base-Backbone interact. energy: -2.673 local terms energy: -493.163222 where: bonds (distance) C4'-P energy: -93.834 bonds (distance) P-C4' energy: -101.124 flat angles C4'-P-C4' energy: -109.032 flat angles P-C4'-P energy: -61.838 tors. eta vs tors. theta energy: -127.335 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: 4, replica: 9 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -1507.280455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.280455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.280455 (E_RNA) where: Base-Base interactions energy: -1023.543 where: short stacking energy: -447.200 Base-Backbone interact. energy: -2.479 local terms energy: -481.258312 where: bonds (distance) C4'-P energy: -90.252 bonds (distance) P-C4' energy: -91.332 flat angles C4'-P-C4' energy: -102.973 flat angles P-C4'-P energy: -75.511 tors. eta vs tors. theta energy: -121.190 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: 8 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -1390.543905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.543905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.543905 (E_RNA) where: Base-Base interactions energy: -964.453 where: short stacking energy: -401.929 Base-Backbone interact. energy: -3.062 local terms energy: -423.028891 where: bonds (distance) C4'-P energy: -88.496 bonds (distance) P-C4' energy: -91.605 flat angles C4'-P-C4' energy: -93.025 flat angles P-C4'-P energy: -49.928 tors. eta vs tors. theta energy: -99.975 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: 3 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -1435.904157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.904157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.904157 (E_RNA) where: Base-Base interactions energy: -992.713 where: short stacking energy: -426.206 Base-Backbone interact. energy: -2.948 local terms energy: -440.243515 where: bonds (distance) C4'-P energy: -82.873 bonds (distance) P-C4' energy: -95.655 flat angles C4'-P-C4' energy: -97.643 flat angles P-C4'-P energy: -50.210 tors. eta vs tors. theta energy: -113.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -1317.196170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.196170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.196170 (E_RNA) where: Base-Base interactions energy: -897.416 where: short stacking energy: -378.138 Base-Backbone interact. energy: -1.545 local terms energy: -418.234948 where: bonds (distance) C4'-P energy: -93.979 bonds (distance) P-C4' energy: -91.644 flat angles C4'-P-C4' energy: -89.670 flat angles P-C4'-P energy: -54.607 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: 8, replica: 6 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -1058.020667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.020667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.020667 (E_RNA) where: Base-Base interactions energy: -698.576 where: short stacking energy: -294.827 Base-Backbone interact. energy: 2.116 local terms energy: -361.560850 where: bonds (distance) C4'-P energy: -70.665 bonds (distance) P-C4' energy: -76.153 flat angles C4'-P-C4' energy: -87.116 flat angles P-C4'-P energy: -64.814 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: 10 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -869.898044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.898044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.898044 (E_RNA) where: Base-Base interactions energy: -530.468 where: short stacking energy: -239.443 Base-Backbone interact. energy: -1.419 local terms energy: -338.011086 where: bonds (distance) C4'-P energy: -82.160 bonds (distance) P-C4' energy: -91.002 flat angles C4'-P-C4' energy: -69.083 flat angles P-C4'-P energy: -49.132 tors. eta vs tors. theta energy: -46.635 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: 2 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -672.483395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.483395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.483395 (E_RNA) where: Base-Base interactions energy: -393.586 where: short stacking energy: -198.506 Base-Backbone interact. energy: -2.811 local terms energy: -276.086249 where: bonds (distance) C4'-P energy: -82.088 bonds (distance) P-C4' energy: -81.147 flat angles C4'-P-C4' energy: -66.281 flat angles P-C4'-P energy: -24.162 tors. eta vs tors. theta energy: -22.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1791.417334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.417334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.417334 (E_RNA) where: Base-Base interactions energy: -1239.721 where: short stacking energy: -535.181 Base-Backbone interact. energy: -1.267 local terms energy: -550.429330 where: bonds (distance) C4'-P energy: -96.834 bonds (distance) P-C4' energy: -106.448 flat angles C4'-P-C4' energy: -109.622 flat angles P-C4'-P energy: -85.897 tors. eta vs tors. theta energy: -151.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1633.950251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.950251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.950251 (E_RNA) where: Base-Base interactions energy: -1155.552 where: short stacking energy: -478.009 Base-Backbone interact. energy: -4.990 local terms energy: -473.408228 where: bonds (distance) C4'-P energy: -85.943 bonds (distance) P-C4' energy: -89.899 flat angles C4'-P-C4' energy: -99.240 flat angles P-C4'-P energy: -76.336 tors. eta vs tors. theta energy: -121.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1582.062908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.062908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.062908 (E_RNA) where: Base-Base interactions energy: -1098.113 where: short stacking energy: -451.239 Base-Backbone interact. energy: 4.336 local terms energy: -488.286566 where: bonds (distance) C4'-P energy: -97.649 bonds (distance) P-C4' energy: -99.705 flat angles C4'-P-C4' energy: -100.297 flat angles P-C4'-P energy: -59.815 tors. eta vs tors. theta energy: -130.821 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: 9 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -1532.049006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.049006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.049006 (E_RNA) where: Base-Base interactions energy: -1055.985 where: short stacking energy: -465.345 Base-Backbone interact. energy: -1.066 local terms energy: -474.997958 where: bonds (distance) C4'-P energy: -89.898 bonds (distance) P-C4' energy: -78.180 flat angles C4'-P-C4' energy: -106.983 flat angles P-C4'-P energy: -74.408 tors. eta vs tors. theta energy: -125.528 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: 3 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -1461.838246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.838246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.838246 (E_RNA) where: Base-Base interactions energy: -1009.530 where: short stacking energy: -449.478 Base-Backbone interact. energy: 0.316 local terms energy: -452.624424 where: bonds (distance) C4'-P energy: -84.571 bonds (distance) P-C4' energy: -87.386 flat angles C4'-P-C4' energy: -92.249 flat angles P-C4'-P energy: -70.095 tors. eta vs tors. theta energy: -118.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -1373.036241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.036241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.036241 (E_RNA) where: Base-Base interactions energy: -939.940 where: short stacking energy: -403.481 Base-Backbone interact. energy: -2.423 local terms energy: -430.672978 where: bonds (distance) C4'-P energy: -83.939 bonds (distance) P-C4' energy: -88.955 flat angles C4'-P-C4' energy: -98.506 flat angles P-C4'-P energy: -57.692 tors. eta vs tors. theta energy: -101.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -1328.891276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.891276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.891276 (E_RNA) where: Base-Base interactions energy: -899.510 where: short stacking energy: -374.935 Base-Backbone interact. energy: -1.189 local terms energy: -428.191728 where: bonds (distance) C4'-P energy: -88.932 bonds (distance) P-C4' energy: -98.708 flat angles C4'-P-C4' energy: -86.066 flat angles P-C4'-P energy: -53.225 tors. eta vs tors. theta energy: -101.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -1097.622114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.622114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.622114 (E_RNA) where: Base-Base interactions energy: -724.641 where: short stacking energy: -313.935 Base-Backbone interact. energy: 0.590 local terms energy: -373.570818 where: bonds (distance) C4'-P energy: -81.942 bonds (distance) P-C4' energy: -92.598 flat angles C4'-P-C4' energy: -67.975 flat angles P-C4'-P energy: -59.917 tors. eta vs tors. theta energy: -71.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -805.509750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.509750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.509750 (E_RNA) where: Base-Base interactions energy: -495.493 where: short stacking energy: -215.625 Base-Backbone interact. energy: 2.399 local terms energy: -312.415562 where: bonds (distance) C4'-P energy: -83.829 bonds (distance) P-C4' energy: -79.725 flat angles C4'-P-C4' energy: -84.233 flat angles P-C4'-P energy: -44.651 tors. eta vs tors. theta energy: -19.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -680.470347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.470347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.470347 (E_RNA) where: Base-Base interactions energy: -376.018 where: short stacking energy: -182.639 Base-Backbone interact. energy: -0.764 local terms energy: -303.688505 where: bonds (distance) C4'-P energy: -87.385 bonds (distance) P-C4' energy: -81.412 flat angles C4'-P-C4' energy: -65.173 flat angles P-C4'-P energy: -47.767 tors. eta vs tors. theta energy: -21.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1788.355916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.355916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.355916 (E_RNA) where: Base-Base interactions energy: -1236.938 where: short stacking energy: -528.540 Base-Backbone interact. energy: -4.030 local terms energy: -547.388124 where: bonds (distance) C4'-P energy: -104.515 bonds (distance) P-C4' energy: -110.837 flat angles C4'-P-C4' energy: -116.193 flat angles P-C4'-P energy: -68.537 tors. eta vs tors. theta energy: -147.306 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: 2, replica: 7 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1643.051463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.051463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.051463 (E_RNA) where: Base-Base interactions energy: -1130.427 where: short stacking energy: -482.598 Base-Backbone interact. energy: -1.020 local terms energy: -511.604514 where: bonds (distance) C4'-P energy: -93.804 bonds (distance) P-C4' energy: -103.989 flat angles C4'-P-C4' energy: -113.924 flat angles P-C4'-P energy: -74.011 tors. eta vs tors. theta energy: -125.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1631.930438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.930438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.930438 (E_RNA) where: Base-Base interactions energy: -1147.692 where: short stacking energy: -469.878 Base-Backbone interact. energy: 5.248 local terms energy: -489.486648 where: bonds (distance) C4'-P energy: -99.935 bonds (distance) P-C4' energy: -96.041 flat angles C4'-P-C4' energy: -96.518 flat angles P-C4'-P energy: -65.876 tors. eta vs tors. theta energy: -131.117 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: 9 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -1541.621774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.621774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.621774 (E_RNA) where: Base-Base interactions energy: -1058.132 where: short stacking energy: -449.425 Base-Backbone interact. energy: -3.600 local terms energy: -479.889840 where: bonds (distance) C4'-P energy: -96.663 bonds (distance) P-C4' energy: -96.492 flat angles C4'-P-C4' energy: -103.392 flat angles P-C4'-P energy: -68.070 tors. eta vs tors. theta energy: -115.273 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: 3 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -1409.784763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.784763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.784763 (E_RNA) where: Base-Base interactions energy: -958.823 where: short stacking energy: -418.437 Base-Backbone interact. energy: -1.796 local terms energy: -449.166237 where: bonds (distance) C4'-P energy: -89.870 bonds (distance) P-C4' energy: -81.266 flat angles C4'-P-C4' energy: -101.603 flat angles P-C4'-P energy: -56.616 tors. eta vs tors. theta energy: -119.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -1403.109888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.109888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.109888 (E_RNA) where: Base-Base interactions energy: -969.970 where: short stacking energy: -433.842 Base-Backbone interact. energy: -1.093 local terms energy: -432.047658 where: bonds (distance) C4'-P energy: -79.562 bonds (distance) P-C4' energy: -82.873 flat angles C4'-P-C4' energy: -94.879 flat angles P-C4'-P energy: -64.683 tors. eta vs tors. theta energy: -110.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -1295.370908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.370908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.370908 (E_RNA) where: Base-Base interactions energy: -892.413 where: short stacking energy: -383.542 Base-Backbone interact. energy: -0.989 local terms energy: -401.968065 where: bonds (distance) C4'-P energy: -62.076 bonds (distance) P-C4' energy: -81.220 flat angles C4'-P-C4' energy: -97.510 flat angles P-C4'-P energy: -57.894 tors. eta vs tors. theta energy: -103.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -1195.397911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.397911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.397911 (E_RNA) where: Base-Base interactions energy: -811.657 where: short stacking energy: -356.019 Base-Backbone interact. energy: -1.908 local terms energy: -381.832493 where: bonds (distance) C4'-P energy: -68.208 bonds (distance) P-C4' energy: -75.357 flat angles C4'-P-C4' energy: -92.050 flat angles P-C4'-P energy: -62.314 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: 9, replica: 10 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -842.957290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.957290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.957290 (E_RNA) where: Base-Base interactions energy: -519.005 where: short stacking energy: -248.380 Base-Backbone interact. energy: -1.850 local terms energy: -322.102437 where: bonds (distance) C4'-P energy: -94.359 bonds (distance) P-C4' energy: -77.672 flat angles C4'-P-C4' energy: -74.951 flat angles P-C4'-P energy: -50.436 tors. eta vs tors. theta energy: -24.685 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: 2 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -650.886645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.886645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.886645 (E_RNA) where: Base-Base interactions energy: -342.048 where: short stacking energy: -170.370 Base-Backbone interact. energy: -0.876 local terms energy: -307.963057 where: bonds (distance) C4'-P energy: -85.799 bonds (distance) P-C4' energy: -86.587 flat angles C4'-P-C4' energy: -60.959 flat angles P-C4'-P energy: -55.330 tors. eta vs tors. theta energy: -19.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1799.057810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.057810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.057810 (E_RNA) where: Base-Base interactions energy: -1248.203 where: short stacking energy: -548.006 Base-Backbone interact. energy: -0.578 local terms energy: -550.277017 where: bonds (distance) C4'-P energy: -101.780 bonds (distance) P-C4' energy: -110.324 flat angles C4'-P-C4' energy: -118.445 flat angles P-C4'-P energy: -77.152 tors. eta vs tors. theta energy: -142.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1639.372303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.372303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.372303 (E_RNA) where: Base-Base interactions energy: -1148.803 where: short stacking energy: -478.740 Base-Backbone interact. energy: -1.212 local terms energy: -489.357497 where: bonds (distance) C4'-P energy: -101.721 bonds (distance) P-C4' energy: -98.440 flat angles C4'-P-C4' energy: -104.296 flat angles P-C4'-P energy: -53.419 tors. eta vs tors. theta energy: -131.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1642.453283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.453283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.453283 (E_RNA) where: Base-Base interactions energy: -1137.816 where: short stacking energy: -471.700 Base-Backbone interact. energy: -1.159 local terms energy: -503.478831 where: bonds (distance) C4'-P energy: -98.736 bonds (distance) P-C4' energy: -86.658 flat angles C4'-P-C4' energy: -110.248 flat angles P-C4'-P energy: -74.256 tors. eta vs tors. theta energy: -133.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -1539.068722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.068722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.068722 (E_RNA) where: Base-Base interactions energy: -1063.081 where: short stacking energy: -459.934 Base-Backbone interact. energy: -1.298 local terms energy: -474.690035 where: bonds (distance) C4'-P energy: -92.975 bonds (distance) P-C4' energy: -82.767 flat angles C4'-P-C4' energy: -105.583 flat angles P-C4'-P energy: -70.160 tors. eta vs tors. theta energy: -123.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -1435.075533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1435.075533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1435.075533 (E_RNA) where: Base-Base interactions energy: -1000.624 where: short stacking energy: -431.286 Base-Backbone interact. energy: -4.071 local terms energy: -430.380633 where: bonds (distance) C4'-P energy: -85.781 bonds (distance) P-C4' energy: -74.207 flat angles C4'-P-C4' energy: -86.824 flat angles P-C4'-P energy: -65.115 tors. eta vs tors. theta energy: -118.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -1344.322304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.322304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.322304 (E_RNA) where: Base-Base interactions energy: -940.459 where: short stacking energy: -403.752 Base-Backbone interact. energy: -1.062 local terms energy: -402.801861 where: bonds (distance) C4'-P energy: -73.442 bonds (distance) P-C4' energy: -85.981 flat angles C4'-P-C4' energy: -97.431 flat angles P-C4'-P energy: -48.751 tors. eta vs tors. theta energy: -97.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -1247.452201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.452201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.452201 (E_RNA) where: Base-Base interactions energy: -843.884 where: short stacking energy: -344.531 Base-Backbone interact. energy: -3.735 local terms energy: -399.833369 where: bonds (distance) C4'-P energy: -82.157 bonds (distance) P-C4' energy: -98.158 flat angles C4'-P-C4' energy: -90.590 flat angles P-C4'-P energy: -63.669 tors. eta vs tors. theta energy: -65.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -1180.556555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.556555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.556555 (E_RNA) where: Base-Base interactions energy: -805.037 where: short stacking energy: -350.539 Base-Backbone interact. energy: 1.900 local terms energy: -377.419896 where: bonds (distance) C4'-P energy: -62.917 bonds (distance) P-C4' energy: -88.678 flat angles C4'-P-C4' energy: -98.496 flat angles P-C4'-P energy: -58.455 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: 9, replica: 10 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -847.225997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.225997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.225997 (E_RNA) where: Base-Base interactions energy: -501.140 where: short stacking energy: -236.366 Base-Backbone interact. energy: -0.084 local terms energy: -346.002497 where: bonds (distance) C4'-P energy: -71.927 bonds (distance) P-C4' energy: -99.473 flat angles C4'-P-C4' energy: -81.652 flat angles P-C4'-P energy: -50.893 tors. eta vs tors. theta energy: -42.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -629.364688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.364688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.364688 (E_RNA) where: Base-Base interactions energy: -315.395 where: short stacking energy: -176.754 Base-Backbone interact. energy: -1.964 local terms energy: -312.005305 where: bonds (distance) C4'-P energy: -60.137 bonds (distance) P-C4' energy: -103.035 flat angles C4'-P-C4' energy: -81.635 flat angles P-C4'-P energy: -60.158 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: 5 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1767.480563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.480563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.480563 (E_RNA) where: Base-Base interactions energy: -1236.068 where: short stacking energy: -529.991 Base-Backbone interact. energy: 1.529 local terms energy: -532.941699 where: bonds (distance) C4'-P energy: -91.235 bonds (distance) P-C4' energy: -100.415 flat angles C4'-P-C4' energy: -111.515 flat angles P-C4'-P energy: -81.130 tors. eta vs tors. theta energy: -148.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1660.153264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.153264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.153264 (E_RNA) where: Base-Base interactions energy: -1142.726 where: short stacking energy: -489.669 Base-Backbone interact. energy: -4.506 local terms energy: -512.922000 where: bonds (distance) C4'-P energy: -94.410 bonds (distance) P-C4' energy: -101.285 flat angles C4'-P-C4' energy: -112.753 flat angles P-C4'-P energy: -77.012 tors. eta vs tors. theta energy: -127.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1616.705200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.705200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.705200 (E_RNA) where: Base-Base interactions energy: -1117.299 where: short stacking energy: -471.264 Base-Backbone interact. energy: 0.042 local terms energy: -499.447941 where: bonds (distance) C4'-P energy: -95.338 bonds (distance) P-C4' energy: -102.655 flat angles C4'-P-C4' energy: -108.995 flat angles P-C4'-P energy: -63.254 tors. eta vs tors. theta energy: -129.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -1497.680748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.680748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.680748 (E_RNA) where: Base-Base interactions energy: -1007.521 where: short stacking energy: -448.948 Base-Backbone interact. energy: -1.192 local terms energy: -488.967583 where: bonds (distance) C4'-P energy: -93.422 bonds (distance) P-C4' energy: -94.222 flat angles C4'-P-C4' energy: -100.744 flat angles P-C4'-P energy: -75.479 tors. eta vs tors. theta energy: -125.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -1461.295118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.295118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.295118 (E_RNA) where: Base-Base interactions energy: -997.678 where: short stacking energy: -420.703 Base-Backbone interact. energy: -1.104 local terms energy: -462.513678 where: bonds (distance) C4'-P energy: -93.030 bonds (distance) P-C4' energy: -94.867 flat angles C4'-P-C4' energy: -110.072 flat angles P-C4'-P energy: -65.550 tors. eta vs tors. theta energy: -98.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -1343.268307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.268307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.268307 (E_RNA) where: Base-Base interactions energy: -937.846 where: short stacking energy: -398.456 Base-Backbone interact. energy: 0.239 local terms energy: -405.660735 where: bonds (distance) C4'-P energy: -73.136 bonds (distance) P-C4' energy: -85.849 flat angles C4'-P-C4' energy: -91.185 flat angles P-C4'-P energy: -62.630 tors. eta vs tors. theta energy: -92.861 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: 4 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -1308.386438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.386438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.386438 (E_RNA) where: Base-Base interactions energy: -886.023 where: short stacking energy: -391.752 Base-Backbone interact. energy: 0.593 local terms energy: -422.956809 where: bonds (distance) C4'-P energy: -64.511 bonds (distance) P-C4' energy: -84.833 flat angles C4'-P-C4' energy: -99.798 flat angles P-C4'-P energy: -69.595 tors. eta vs tors. theta energy: -104.221 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: 8, replica: 6 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -1148.158687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.158687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.158687 (E_RNA) where: Base-Base interactions energy: -765.437 where: short stacking energy: -331.065 Base-Backbone interact. energy: 6.056 local terms energy: -388.777185 where: bonds (distance) C4'-P energy: -90.519 bonds (distance) P-C4' energy: -78.941 flat angles C4'-P-C4' energy: -83.107 flat angles P-C4'-P energy: -65.204 tors. eta vs tors. theta energy: -71.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -780.661685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.661685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.661685 (E_RNA) where: Base-Base interactions energy: -469.874 where: short stacking energy: -215.958 Base-Backbone interact. energy: -0.225 local terms energy: -310.563023 where: bonds (distance) C4'-P energy: -77.700 bonds (distance) P-C4' energy: -79.683 flat angles C4'-P-C4' energy: -83.979 flat angles P-C4'-P energy: -49.238 tors. eta vs tors. theta energy: -19.963 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: 10, replica: 2 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -696.947282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.947282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.947282 (E_RNA) where: Base-Base interactions energy: -402.389 where: short stacking energy: -197.295 Base-Backbone interact. energy: 0.963 local terms energy: -295.520591 where: bonds (distance) C4'-P energy: -66.221 bonds (distance) P-C4' energy: -80.793 flat angles C4'-P-C4' energy: -71.261 flat angles P-C4'-P energy: -51.653 tors. eta vs tors. theta energy: -25.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1776.883269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.883269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.883269 (E_RNA) where: Base-Base interactions energy: -1246.975 where: short stacking energy: -519.092 Base-Backbone interact. energy: -1.859 local terms energy: -528.048955 where: bonds (distance) C4'-P energy: -85.047 bonds (distance) P-C4' energy: -100.692 flat angles C4'-P-C4' energy: -117.313 flat angles P-C4'-P energy: -76.832 tors. eta vs tors. theta energy: -148.166 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: 1 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1664.291456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.291456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.291456 (E_RNA) where: Base-Base interactions energy: -1151.259 where: short stacking energy: -479.249 Base-Backbone interact. energy: -5.795 local terms energy: -507.237534 where: bonds (distance) C4'-P energy: -108.472 bonds (distance) P-C4' energy: -100.517 flat angles C4'-P-C4' energy: -94.171 flat angles P-C4'-P energy: -67.544 tors. eta vs tors. theta energy: -136.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1639.185955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.185955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.185955 (E_RNA) where: Base-Base interactions energy: -1147.597 where: short stacking energy: -476.870 Base-Backbone interact. energy: -0.935 local terms energy: -490.654371 where: bonds (distance) C4'-P energy: -99.785 bonds (distance) P-C4' energy: -96.638 flat angles C4'-P-C4' energy: -110.317 flat angles P-C4'-P energy: -64.054 tors. eta vs tors. theta energy: -119.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -1482.285269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.285269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.285269 (E_RNA) where: Base-Base interactions energy: -1026.122 where: short stacking energy: -467.842 Base-Backbone interact. energy: 0.579 local terms energy: -456.741682 where: bonds (distance) C4'-P energy: -87.955 bonds (distance) P-C4' energy: -87.001 flat angles C4'-P-C4' energy: -94.605 flat angles P-C4'-P energy: -67.539 tors. eta vs tors. theta energy: -119.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -1474.913671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.913671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.913671 (E_RNA) where: Base-Base interactions energy: -1034.451 where: short stacking energy: -439.678 Base-Backbone interact. energy: 4.230 local terms energy: -444.693101 where: bonds (distance) C4'-P energy: -91.389 bonds (distance) P-C4' energy: -76.609 flat angles C4'-P-C4' energy: -105.027 flat angles P-C4'-P energy: -63.280 tors. eta vs tors. theta energy: -108.387 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: 8 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -1354.686380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.686380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.686380 (E_RNA) where: Base-Base interactions energy: -920.012 where: short stacking energy: -407.843 Base-Backbone interact. energy: 1.817 local terms energy: -436.491129 where: bonds (distance) C4'-P energy: -79.578 bonds (distance) P-C4' energy: -88.066 flat angles C4'-P-C4' energy: -99.642 flat angles P-C4'-P energy: -60.378 tors. eta vs tors. theta energy: -108.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -1328.274274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.274274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.274274 (E_RNA) where: Base-Base interactions energy: -917.475 where: short stacking energy: -414.381 Base-Backbone interact. energy: 1.213 local terms energy: -412.011894 where: bonds (distance) C4'-P energy: -84.457 bonds (distance) P-C4' energy: -85.998 flat angles C4'-P-C4' energy: -76.091 flat angles P-C4'-P energy: -59.950 tors. eta vs tors. theta energy: -105.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -1271.658858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.658858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.658858 (E_RNA) where: Base-Base interactions energy: -871.435 where: short stacking energy: -381.039 Base-Backbone interact. energy: 2.211 local terms energy: -402.435064 where: bonds (distance) C4'-P energy: -88.171 bonds (distance) P-C4' energy: -83.570 flat angles C4'-P-C4' energy: -81.868 flat angles P-C4'-P energy: -52.476 tors. eta vs tors. theta energy: -96.349 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: 2 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -770.001829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.001829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.001829 (E_RNA) where: Base-Base interactions energy: -428.945 where: short stacking energy: -237.376 Base-Backbone interact. energy: 1.227 local terms energy: -342.283172 where: bonds (distance) C4'-P energy: -73.692 bonds (distance) P-C4' energy: -83.755 flat angles C4'-P-C4' energy: -79.580 flat angles P-C4'-P energy: -66.434 tors. eta vs tors. theta energy: -38.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -714.731414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.731414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.731414 (E_RNA) where: Base-Base interactions energy: -440.003 where: short stacking energy: -204.185 Base-Backbone interact. energy: 2.133 local terms energy: -276.861192 where: bonds (distance) C4'-P energy: -81.933 bonds (distance) P-C4' energy: -77.462 flat angles C4'-P-C4' energy: -80.194 flat angles P-C4'-P energy: -32.010 tors. eta vs tors. theta energy: -5.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1824.625380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.625380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.625380 (E_RNA) where: Base-Base interactions energy: -1271.150 where: short stacking energy: -531.759 Base-Backbone interact. energy: -3.623 local terms energy: -549.852280 where: bonds (distance) C4'-P energy: -97.599 bonds (distance) P-C4' energy: -99.969 flat angles C4'-P-C4' energy: -114.545 flat angles P-C4'-P energy: -84.782 tors. eta vs tors. theta energy: -152.958 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: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1662.809282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.809282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.809282 (E_RNA) where: Base-Base interactions energy: -1148.469 where: short stacking energy: -461.787 Base-Backbone interact. energy: -1.950 local terms energy: -512.390642 where: bonds (distance) C4'-P energy: -99.412 bonds (distance) P-C4' energy: -100.186 flat angles C4'-P-C4' energy: -117.371 flat angles P-C4'-P energy: -69.568 tors. eta vs tors. theta energy: -125.854 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: 7 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1615.884592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.884592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.884592 (E_RNA) where: Base-Base interactions energy: -1129.949 where: short stacking energy: -452.796 Base-Backbone interact. energy: -3.745 local terms energy: -482.190690 where: bonds (distance) C4'-P energy: -97.796 bonds (distance) P-C4' energy: -97.121 flat angles C4'-P-C4' energy: -106.909 flat angles P-C4'-P energy: -66.368 tors. eta vs tors. theta energy: -113.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -1526.887915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.887915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.887915 (E_RNA) where: Base-Base interactions energy: -1049.354 where: short stacking energy: -452.386 Base-Backbone interact. energy: -3.651 local terms energy: -473.882657 where: bonds (distance) C4'-P energy: -82.956 bonds (distance) P-C4' energy: -97.102 flat angles C4'-P-C4' energy: -100.189 flat angles P-C4'-P energy: -72.962 tors. eta vs tors. theta energy: -120.672 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: 3 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -1422.837423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.837423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.837423 (E_RNA) where: Base-Base interactions energy: -982.282 where: short stacking energy: -423.917 Base-Backbone interact. energy: -2.014 local terms energy: -438.541033 where: bonds (distance) C4'-P energy: -81.234 bonds (distance) P-C4' energy: -91.928 flat angles C4'-P-C4' energy: -105.239 flat angles P-C4'-P energy: -53.487 tors. eta vs tors. theta energy: -106.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -1323.241810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.241810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.241810 (E_RNA) where: Base-Base interactions energy: -937.652 where: short stacking energy: -397.763 Base-Backbone interact. energy: 1.303 local terms energy: -386.892383 where: bonds (distance) C4'-P energy: -72.343 bonds (distance) P-C4' energy: -75.736 flat angles C4'-P-C4' energy: -91.844 flat angles P-C4'-P energy: -50.786 tors. eta vs tors. theta energy: -96.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -1304.296095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.296095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.296095 (E_RNA) where: Base-Base interactions energy: -879.921 where: short stacking energy: -375.159 Base-Backbone interact. energy: -1.726 local terms energy: -422.649578 where: bonds (distance) C4'-P energy: -85.325 bonds (distance) P-C4' energy: -84.717 flat angles C4'-P-C4' energy: -89.698 flat angles P-C4'-P energy: -59.615 tors. eta vs tors. theta energy: -103.294 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: 125 Temperature: 1.250000 Total energy: -1254.391958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.391958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.391958 (E_RNA) where: Base-Base interactions energy: -835.172 where: short stacking energy: -355.582 Base-Backbone interact. energy: -4.258 local terms energy: -414.962117 where: bonds (distance) C4'-P energy: -89.653 bonds (distance) P-C4' energy: -88.512 flat angles C4'-P-C4' energy: -79.854 flat angles P-C4'-P energy: -66.247 tors. eta vs tors. theta energy: -90.695 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: 2 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -719.953858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.953858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.953858 (E_RNA) where: Base-Base interactions energy: -425.616 where: short stacking energy: -221.581 Base-Backbone interact. energy: 0.688 local terms energy: -295.025576 where: bonds (distance) C4'-P energy: -84.795 bonds (distance) P-C4' energy: -78.360 flat angles C4'-P-C4' energy: -86.367 flat angles P-C4'-P energy: -36.581 tors. eta vs tors. theta energy: -8.924 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: 10 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -695.375500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.375500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.375500 (E_RNA) where: Base-Base interactions energy: -406.393 where: short stacking energy: -195.717 Base-Backbone interact. energy: -1.431 local terms energy: -287.550887 where: bonds (distance) C4'-P energy: -77.744 bonds (distance) P-C4' energy: -77.775 flat angles C4'-P-C4' energy: -62.183 flat angles P-C4'-P energy: -47.149 tors. eta vs tors. theta energy: -22.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1832.969229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.969229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.969229 (E_RNA) where: Base-Base interactions energy: -1299.374 where: short stacking energy: -549.856 Base-Backbone interact. energy: -2.721 local terms energy: -530.874600 where: bonds (distance) C4'-P energy: -97.141 bonds (distance) P-C4' energy: -87.602 flat angles C4'-P-C4' energy: -107.793 flat angles P-C4'-P energy: -85.474 tors. eta vs tors. theta energy: -152.865 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: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1632.620583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.620583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.620583 (E_RNA) where: Base-Base interactions energy: -1133.841 where: short stacking energy: -480.384 Base-Backbone interact. energy: -3.365 local terms energy: -495.414555 where: bonds (distance) C4'-P energy: -101.346 bonds (distance) P-C4' energy: -73.201 flat angles C4'-P-C4' energy: -118.982 flat angles P-C4'-P energy: -69.962 tors. eta vs tors. theta energy: -131.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1623.382144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.382144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.382144 (E_RNA) where: Base-Base interactions energy: -1167.944 where: short stacking energy: -473.026 Base-Backbone interact. energy: -5.128 local terms energy: -450.309783 where: bonds (distance) C4'-P energy: -76.390 bonds (distance) P-C4' energy: -75.226 flat angles C4'-P-C4' energy: -110.038 flat angles P-C4'-P energy: -65.573 tors. eta vs tors. theta energy: -123.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -1573.838390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.838390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.838390 (E_RNA) where: Base-Base interactions energy: -1087.414 where: short stacking energy: -472.685 Base-Backbone interact. energy: -1.439 local terms energy: -484.985286 where: bonds (distance) C4'-P energy: -85.701 bonds (distance) P-C4' energy: -96.912 flat angles C4'-P-C4' energy: -103.322 flat angles P-C4'-P energy: -69.460 tors. eta vs tors. theta energy: -129.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -1385.935979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.935979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.935979 (E_RNA) where: Base-Base interactions energy: -933.845 where: short stacking energy: -408.872 Base-Backbone interact. energy: -2.933 local terms energy: -449.157735 where: bonds (distance) C4'-P energy: -94.838 bonds (distance) P-C4' energy: -80.187 flat angles C4'-P-C4' energy: -97.230 flat angles P-C4'-P energy: -62.647 tors. eta vs tors. theta energy: -114.256 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: 3 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -1358.672970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.672970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.672970 (E_RNA) where: Base-Base interactions energy: -941.259 where: short stacking energy: -408.137 Base-Backbone interact. energy: -1.997 local terms energy: -415.417632 where: bonds (distance) C4'-P energy: -95.610 bonds (distance) P-C4' energy: -90.692 flat angles C4'-P-C4' energy: -90.181 flat angles P-C4'-P energy: -43.879 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: 7, replica: 6 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -1298.652087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.652087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.652087 (E_RNA) where: Base-Base interactions energy: -883.898 where: short stacking energy: -379.068 Base-Backbone interact. energy: -1.017 local terms energy: -413.736850 where: bonds (distance) C4'-P energy: -80.404 bonds (distance) P-C4' energy: -79.359 flat angles C4'-P-C4' energy: -101.771 flat angles P-C4'-P energy: -58.842 tors. eta vs tors. theta energy: -93.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -1161.943152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.943152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.943152 (E_RNA) where: Base-Base interactions energy: -776.634 where: short stacking energy: -349.298 Base-Backbone interact. energy: 1.798 local terms energy: -387.107345 where: bonds (distance) C4'-P energy: -76.028 bonds (distance) P-C4' energy: -98.510 flat angles C4'-P-C4' energy: -89.609 flat angles P-C4'-P energy: -47.761 tors. eta vs tors. theta energy: -75.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -753.009183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.009183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.009183 (E_RNA) where: Base-Base interactions energy: -451.950 where: short stacking energy: -226.344 Base-Backbone interact. energy: -4.343 local terms energy: -296.716017 where: bonds (distance) C4'-P energy: -71.336 bonds (distance) P-C4' energy: -85.147 flat angles C4'-P-C4' energy: -80.167 flat angles P-C4'-P energy: -40.765 tors. eta vs tors. theta energy: -19.300 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: 126 Temperature: 1.350000 Total energy: -713.910804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.910804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.910804 (E_RNA) where: Base-Base interactions energy: -421.101 where: short stacking energy: -201.326 Base-Backbone interact. energy: -0.905 local terms energy: -291.904726 where: bonds (distance) C4'-P energy: -75.853 bonds (distance) P-C4' energy: -101.684 flat angles C4'-P-C4' energy: -62.790 flat angles P-C4'-P energy: -34.101 tors. eta vs tors. theta energy: -17.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1810.981667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.981667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.981667 (E_RNA) where: Base-Base interactions energy: -1269.594 where: short stacking energy: -538.972 Base-Backbone interact. energy: -2.921 local terms energy: -538.467197 where: bonds (distance) C4'-P energy: -98.143 bonds (distance) P-C4' energy: -98.062 flat angles C4'-P-C4' energy: -111.879 flat angles P-C4'-P energy: -81.467 tors. eta vs tors. theta energy: -148.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1665.282156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.282156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.282156 (E_RNA) where: Base-Base interactions energy: -1183.417 where: short stacking energy: -489.192 Base-Backbone interact. energy: -5.039 local terms energy: -476.826206 where: bonds (distance) C4'-P energy: -87.741 bonds (distance) P-C4' energy: -101.524 flat angles C4'-P-C4' energy: -105.361 flat angles P-C4'-P energy: -54.726 tors. eta vs tors. theta energy: -127.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1606.406696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.406696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.406696 (E_RNA) where: Base-Base interactions energy: -1116.603 where: short stacking energy: -487.357 Base-Backbone interact. energy: 2.677 local terms energy: -492.480997 where: bonds (distance) C4'-P energy: -97.622 bonds (distance) P-C4' energy: -94.247 flat angles C4'-P-C4' energy: -104.888 flat angles P-C4'-P energy: -61.742 tors. eta vs tors. theta energy: -133.983 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: 4, replica: 9 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1561.536247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.536247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.536247 (E_RNA) where: Base-Base interactions energy: -1105.388 where: short stacking energy: -498.879 Base-Backbone interact. energy: -1.121 local terms energy: -455.027739 where: bonds (distance) C4'-P energy: -87.734 bonds (distance) P-C4' energy: -66.102 flat angles C4'-P-C4' energy: -107.117 flat angles P-C4'-P energy: -63.502 tors. eta vs tors. theta energy: -130.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -1416.994590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.994590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.994590 (E_RNA) where: Base-Base interactions energy: -972.680 where: short stacking energy: -436.633 Base-Backbone interact. energy: -1.619 local terms energy: -442.695653 where: bonds (distance) C4'-P energy: -74.391 bonds (distance) P-C4' energy: -88.819 flat angles C4'-P-C4' energy: -100.340 flat angles P-C4'-P energy: -62.176 tors. eta vs tors. theta energy: -116.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -1426.686678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.686678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.686678 (E_RNA) where: Base-Base interactions energy: -967.493 where: short stacking energy: -419.838 Base-Backbone interact. energy: -2.421 local terms energy: -456.773273 where: bonds (distance) C4'-P energy: -93.200 bonds (distance) P-C4' energy: -83.529 flat angles C4'-P-C4' energy: -107.850 flat angles P-C4'-P energy: -57.233 tors. eta vs tors. theta energy: -114.962 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: 3 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -1327.343039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.343039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.343039 (E_RNA) where: Base-Base interactions energy: -907.413 where: short stacking energy: -403.052 Base-Backbone interact. energy: -1.213 local terms energy: -418.717721 where: bonds (distance) C4'-P energy: -90.166 bonds (distance) P-C4' energy: -79.305 flat angles C4'-P-C4' energy: -95.232 flat angles P-C4'-P energy: -52.431 tors. eta vs tors. theta energy: -101.583 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: 4 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -1177.618667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.618667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.618667 (E_RNA) where: Base-Base interactions energy: -789.552 where: short stacking energy: -352.698 Base-Backbone interact. energy: 4.734 local terms energy: -392.800038 where: bonds (distance) C4'-P energy: -75.217 bonds (distance) P-C4' energy: -84.688 flat angles C4'-P-C4' energy: -82.448 flat angles P-C4'-P energy: -52.671 tors. eta vs tors. theta energy: -97.776 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: 2 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -721.035207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.035207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.035207 (E_RNA) where: Base-Base interactions energy: -411.428 where: short stacking energy: -213.364 Base-Backbone interact. energy: -1.224 local terms energy: -308.382863 where: bonds (distance) C4'-P energy: -77.002 bonds (distance) P-C4' energy: -96.240 flat angles C4'-P-C4' energy: -74.830 flat angles P-C4'-P energy: -39.803 tors. eta vs tors. theta energy: -20.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -749.499074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.499074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.499074 (E_RNA) where: Base-Base interactions energy: -445.176 where: short stacking energy: -222.700 Base-Backbone interact. energy: 0.630 local terms energy: -304.953143 where: bonds (distance) C4'-P energy: -62.864 bonds (distance) P-C4' energy: -85.535 flat angles C4'-P-C4' energy: -90.084 flat angles P-C4'-P energy: -47.174 tors. eta vs tors. theta energy: -19.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1821.630213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1821.630213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1821.630213 (E_RNA) where: Base-Base interactions energy: -1295.541 where: short stacking energy: -546.920 Base-Backbone interact. energy: -4.739 local terms energy: -521.350617 where: bonds (distance) C4'-P energy: -103.763 bonds (distance) P-C4' energy: -89.701 flat angles C4'-P-C4' energy: -111.740 flat angles P-C4'-P energy: -68.795 tors. eta vs tors. theta energy: -147.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1672.866011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.866011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.866011 (E_RNA) where: Base-Base interactions energy: -1168.221 where: short stacking energy: -470.890 Base-Backbone interact. energy: 1.762 local terms energy: -506.407885 where: bonds (distance) C4'-P energy: -96.174 bonds (distance) P-C4' energy: -98.826 flat angles C4'-P-C4' energy: -111.131 flat angles P-C4'-P energy: -68.468 tors. eta vs tors. theta energy: -131.809 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: 1 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1602.641043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.641043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.641043 (E_RNA) where: Base-Base interactions energy: -1120.868 where: short stacking energy: -497.733 Base-Backbone interact. energy: -1.395 local terms energy: -480.378624 where: bonds (distance) C4'-P energy: -90.839 bonds (distance) P-C4' energy: -85.830 flat angles C4'-P-C4' energy: -108.010 flat angles P-C4'-P energy: -58.041 tors. eta vs tors. theta energy: -137.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -1559.148966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.148966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.148966 (E_RNA) where: Base-Base interactions energy: -1080.764 where: short stacking energy: -486.799 Base-Backbone interact. energy: -3.809 local terms energy: -474.575978 where: bonds (distance) C4'-P energy: -80.808 bonds (distance) P-C4' energy: -93.126 flat angles C4'-P-C4' energy: -107.259 flat angles P-C4'-P energy: -66.337 tors. eta vs tors. theta energy: -127.046 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: 6 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -1445.962984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.962984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.962984 (E_RNA) where: Base-Base interactions energy: -1001.157 where: short stacking energy: -427.966 Base-Backbone interact. energy: -1.390 local terms energy: -443.415929 where: bonds (distance) C4'-P energy: -84.159 bonds (distance) P-C4' energy: -80.783 flat angles C4'-P-C4' energy: -100.773 flat angles P-C4'-P energy: -58.760 tors. eta vs tors. theta energy: -118.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -1358.002338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.002338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.002338 (E_RNA) where: Base-Base interactions energy: -921.220 where: short stacking energy: -398.751 Base-Backbone interact. energy: -2.945 local terms energy: -433.837500 where: bonds (distance) C4'-P energy: -81.062 bonds (distance) P-C4' energy: -94.087 flat angles C4'-P-C4' energy: -92.298 flat angles P-C4'-P energy: -61.916 tors. eta vs tors. theta energy: -104.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -1352.391245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.391245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.391245 (E_RNA) where: Base-Base interactions energy: -914.714 where: short stacking energy: -392.456 Base-Backbone interact. energy: 0.212 local terms energy: -437.889145 where: bonds (distance) C4'-P energy: -87.100 bonds (distance) P-C4' energy: -87.288 flat angles C4'-P-C4' energy: -93.274 flat angles P-C4'-P energy: -70.162 tors. eta vs tors. theta energy: -100.066 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: 4 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -1163.458110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.458110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.458110 (E_RNA) where: Base-Base interactions energy: -793.902 where: short stacking energy: -361.882 Base-Backbone interact. energy: 3.125 local terms energy: -372.680727 where: bonds (distance) C4'-P energy: -69.972 bonds (distance) P-C4' energy: -77.289 flat angles C4'-P-C4' energy: -87.332 flat angles P-C4'-P energy: -54.068 tors. eta vs tors. theta energy: -84.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -762.628458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.628458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.628458 (E_RNA) where: Base-Base interactions energy: -445.981 where: short stacking energy: -214.724 Base-Backbone interact. energy: 0.220 local terms energy: -316.867219 where: bonds (distance) C4'-P energy: -60.939 bonds (distance) P-C4' energy: -94.214 flat angles C4'-P-C4' energy: -89.708 flat angles P-C4'-P energy: -32.970 tors. eta vs tors. theta energy: -39.035 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: 2 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -662.408557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.408557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.408557 (E_RNA) where: Base-Base interactions energy: -365.970 where: short stacking energy: -191.478 Base-Backbone interact. energy: 6.898 local terms energy: -303.336471 where: bonds (distance) C4'-P energy: -68.035 bonds (distance) P-C4' energy: -82.499 flat angles C4'-P-C4' energy: -91.001 flat angles P-C4'-P energy: -43.294 tors. eta vs tors. theta energy: -18.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1818.649477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.649477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.649477 (E_RNA) where: Base-Base interactions energy: -1292.442 where: short stacking energy: -541.509 Base-Backbone interact. energy: -2.972 local terms energy: -523.235838 where: bonds (distance) C4'-P energy: -96.060 bonds (distance) P-C4' energy: -102.333 flat angles C4'-P-C4' energy: -109.989 flat angles P-C4'-P energy: -68.198 tors. eta vs tors. theta energy: -146.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1663.291535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.291535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.291535 (E_RNA) where: Base-Base interactions energy: -1155.237 where: short stacking energy: -475.343 Base-Backbone interact. energy: 3.397 local terms energy: -511.451587 where: bonds (distance) C4'-P energy: -99.357 bonds (distance) P-C4' energy: -106.110 flat angles C4'-P-C4' energy: -108.403 flat angles P-C4'-P energy: -72.353 tors. eta vs tors. theta energy: -125.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1575.136480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.136480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.136480 (E_RNA) where: Base-Base interactions energy: -1096.669 where: short stacking energy: -470.012 Base-Backbone interact. energy: -0.714 local terms energy: -477.753079 where: bonds (distance) C4'-P energy: -99.432 bonds (distance) P-C4' energy: -95.784 flat angles C4'-P-C4' energy: -99.702 flat angles P-C4'-P energy: -60.031 tors. eta vs tors. theta energy: -122.805 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: 9 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -1555.397712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.397712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.397712 (E_RNA) where: Base-Base interactions energy: -1060.245 where: short stacking energy: -468.715 Base-Backbone interact. energy: -2.344 local terms energy: -492.807990 where: bonds (distance) C4'-P energy: -86.937 bonds (distance) P-C4' energy: -96.941 flat angles C4'-P-C4' energy: -103.089 flat angles P-C4'-P energy: -74.173 tors. eta vs tors. theta energy: -131.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -1452.199076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.199076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.199076 (E_RNA) where: Base-Base interactions energy: -1003.724 where: short stacking energy: -430.904 Base-Backbone interact. energy: 3.853 local terms energy: -452.328025 where: bonds (distance) C4'-P energy: -97.511 bonds (distance) P-C4' energy: -90.501 flat angles C4'-P-C4' energy: -86.069 flat angles P-C4'-P energy: -58.750 tors. eta vs tors. theta energy: -119.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -1360.216121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.216121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.216121 (E_RNA) where: Base-Base interactions energy: -930.997 where: short stacking energy: -403.651 Base-Backbone interact. energy: -1.998 local terms energy: -427.221079 where: bonds (distance) C4'-P energy: -85.401 bonds (distance) P-C4' energy: -73.253 flat angles C4'-P-C4' energy: -94.494 flat angles P-C4'-P energy: -62.269 tors. eta vs tors. theta energy: -111.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -1355.372266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1355.372266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1355.372266 (E_RNA) where: Base-Base interactions energy: -903.466 where: short stacking energy: -423.622 Base-Backbone interact. energy: -0.220 local terms energy: -451.686137 where: bonds (distance) C4'-P energy: -85.501 bonds (distance) P-C4' energy: -99.026 flat angles C4'-P-C4' energy: -94.084 flat angles P-C4'-P energy: -54.580 tors. eta vs tors. theta energy: -118.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -1209.414227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.414227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.414227 (E_RNA) where: Base-Base interactions energy: -800.230 where: short stacking energy: -355.652 Base-Backbone interact. energy: -1.784 local terms energy: -407.400486 where: bonds (distance) C4'-P energy: -92.802 bonds (distance) P-C4' energy: -85.366 flat angles C4'-P-C4' energy: -90.947 flat angles P-C4'-P energy: -51.181 tors. eta vs tors. theta energy: -87.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -811.329292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.329292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.329292 (E_RNA) where: Base-Base interactions energy: -492.453 where: short stacking energy: -225.214 Base-Backbone interact. energy: -0.018 local terms energy: -318.858624 where: bonds (distance) C4'-P energy: -94.880 bonds (distance) P-C4' energy: -73.659 flat angles C4'-P-C4' energy: -76.317 flat angles P-C4'-P energy: -49.862 tors. eta vs tors. theta energy: -24.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -659.394751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.394751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.394751 (E_RNA) where: Base-Base interactions energy: -391.860 where: short stacking energy: -193.555 Base-Backbone interact. energy: 3.104 local terms energy: -270.638858 where: bonds (distance) C4'-P energy: -81.349 bonds (distance) P-C4' energy: -78.202 flat angles C4'-P-C4' energy: -55.393 flat angles P-C4'-P energy: -33.384 tors. eta vs tors. theta energy: -22.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1815.971636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1815.971636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1815.971636 (E_RNA) where: Base-Base interactions energy: -1297.139 where: short stacking energy: -536.436 Base-Backbone interact. energy: -2.770 local terms energy: -516.062645 where: bonds (distance) C4'-P energy: -91.520 bonds (distance) P-C4' energy: -97.563 flat angles C4'-P-C4' energy: -103.738 flat angles P-C4'-P energy: -74.345 tors. eta vs tors. theta energy: -148.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1659.256103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.256103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.256103 (E_RNA) where: Base-Base interactions energy: -1156.887 where: short stacking energy: -484.363 Base-Backbone interact. energy: 6.252 local terms energy: -508.621752 where: bonds (distance) C4'-P energy: -88.826 bonds (distance) P-C4' energy: -108.107 flat angles C4'-P-C4' energy: -106.810 flat angles P-C4'-P energy: -73.644 tors. eta vs tors. theta energy: -131.234 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: 3, replica: 1 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1597.581757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.581757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.581757 (E_RNA) where: Base-Base interactions energy: -1123.487 where: short stacking energy: -487.286 Base-Backbone interact. energy: -1.357 local terms energy: -472.737542 where: bonds (distance) C4'-P energy: -86.289 bonds (distance) P-C4' energy: -96.435 flat angles C4'-P-C4' energy: -105.669 flat angles P-C4'-P energy: -64.254 tors. eta vs tors. theta energy: -120.090 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: 9 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -1550.680747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.680747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.680747 (E_RNA) where: Base-Base interactions energy: -1076.215 where: short stacking energy: -474.504 Base-Backbone interact. energy: 0.550 local terms energy: -475.015632 where: bonds (distance) C4'-P energy: -86.988 bonds (distance) P-C4' energy: -89.953 flat angles C4'-P-C4' energy: -102.174 flat angles P-C4'-P energy: -64.527 tors. eta vs tors. theta energy: -131.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -1454.671472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.671472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.671472 (E_RNA) where: Base-Base interactions energy: -1004.190 where: short stacking energy: -452.653 Base-Backbone interact. energy: -1.954 local terms energy: -448.526824 where: bonds (distance) C4'-P energy: -87.890 bonds (distance) P-C4' energy: -78.357 flat angles C4'-P-C4' energy: -100.673 flat angles P-C4'-P energy: -67.450 tors. eta vs tors. theta energy: -114.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -1344.200831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.200831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.200831 (E_RNA) where: Base-Base interactions energy: -907.994 where: short stacking energy: -407.981 Base-Backbone interact. energy: -3.062 local terms energy: -433.145174 where: bonds (distance) C4'-P energy: -80.876 bonds (distance) P-C4' energy: -83.701 flat angles C4'-P-C4' energy: -98.547 flat angles P-C4'-P energy: -62.482 tors. eta vs tors. theta energy: -107.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -1331.226414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.226414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.226414 (E_RNA) where: Base-Base interactions energy: -910.787 where: short stacking energy: -415.013 Base-Backbone interact. energy: -0.783 local terms energy: -419.656322 where: bonds (distance) C4'-P energy: -66.829 bonds (distance) P-C4' energy: -78.627 flat angles C4'-P-C4' energy: -94.069 flat angles P-C4'-P energy: -71.647 tors. eta vs tors. theta energy: -108.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -1184.010959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.010959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.010959 (E_RNA) where: Base-Base interactions energy: -786.082 where: short stacking energy: -353.036 Base-Backbone interact. energy: -0.334 local terms energy: -397.594296 where: bonds (distance) C4'-P energy: -86.077 bonds (distance) P-C4' energy: -65.936 flat angles C4'-P-C4' energy: -83.813 flat angles P-C4'-P energy: -65.314 tors. eta vs tors. theta energy: -96.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -759.313530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.313530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.313530 (E_RNA) where: Base-Base interactions energy: -459.914 where: short stacking energy: -242.101 Base-Backbone interact. energy: -2.311 local terms energy: -297.088681 where: bonds (distance) C4'-P energy: -80.800 bonds (distance) P-C4' energy: -70.464 flat angles C4'-P-C4' energy: -72.354 flat angles P-C4'-P energy: -39.948 tors. eta vs tors. theta energy: -33.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -700.450419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.450419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.450419 (E_RNA) where: Base-Base interactions energy: -414.415 where: short stacking energy: -212.663 Base-Backbone interact. energy: 2.673 local terms energy: -288.707638 where: bonds (distance) C4'-P energy: -90.490 bonds (distance) P-C4' energy: -76.486 flat angles C4'-P-C4' energy: -73.454 flat angles P-C4'-P energy: -30.565 tors. eta vs tors. theta energy: -17.714 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: 5 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1813.690694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1813.690694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1813.690694 (E_RNA) where: Base-Base interactions energy: -1287.659 where: short stacking energy: -535.177 Base-Backbone interact. energy: -2.308 local terms energy: -523.723624 where: bonds (distance) C4'-P energy: -97.670 bonds (distance) P-C4' energy: -96.904 flat angles C4'-P-C4' energy: -111.193 flat angles P-C4'-P energy: -76.667 tors. eta vs tors. theta energy: -141.289 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: 7 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1682.732744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.732744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.732744 (E_RNA) where: Base-Base interactions energy: -1175.743 where: short stacking energy: -490.926 Base-Backbone interact. energy: -0.134 local terms energy: -506.856094 where: bonds (distance) C4'-P energy: -94.804 bonds (distance) P-C4' energy: -97.023 flat angles C4'-P-C4' energy: -106.523 flat angles P-C4'-P energy: -75.672 tors. eta vs tors. theta energy: -132.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1614.176811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.176811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.176811 (E_RNA) where: Base-Base interactions energy: -1126.005 where: short stacking energy: -485.575 Base-Backbone interact. energy: 4.546 local terms energy: -492.717522 where: bonds (distance) C4'-P energy: -89.067 bonds (distance) P-C4' energy: -92.203 flat angles C4'-P-C4' energy: -122.836 flat angles P-C4'-P energy: -65.423 tors. eta vs tors. theta energy: -123.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1545.171057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.171057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.171057 (E_RNA) where: Base-Base interactions energy: -1064.939 where: short stacking energy: -460.655 Base-Backbone interact. energy: -0.094 local terms energy: -480.138288 where: bonds (distance) C4'-P energy: -98.798 bonds (distance) P-C4' energy: -99.955 flat angles C4'-P-C4' energy: -95.844 flat angles P-C4'-P energy: -68.360 tors. eta vs tors. theta energy: -117.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -1450.792667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.792667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.792667 (E_RNA) where: Base-Base interactions energy: -987.128 where: short stacking energy: -429.798 Base-Backbone interact. energy: -1.271 local terms energy: -462.393714 where: bonds (distance) C4'-P energy: -91.345 bonds (distance) P-C4' energy: -93.102 flat angles C4'-P-C4' energy: -105.707 flat angles P-C4'-P energy: -64.266 tors. eta vs tors. theta energy: -107.973 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: 6, replica: 8 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -1350.750936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.750936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.750936 (E_RNA) where: Base-Base interactions energy: -915.432 where: short stacking energy: -407.290 Base-Backbone interact. energy: -2.496 local terms energy: -432.822957 where: bonds (distance) C4'-P energy: -82.807 bonds (distance) P-C4' energy: -81.087 flat angles C4'-P-C4' energy: -97.596 flat angles P-C4'-P energy: -57.435 tors. eta vs tors. theta energy: -113.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -1309.469179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.469179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.469179 (E_RNA) where: Base-Base interactions energy: -892.320 where: short stacking energy: -370.540 Base-Backbone interact. energy: -2.594 local terms energy: -414.554296 where: bonds (distance) C4'-P energy: -74.989 bonds (distance) P-C4' energy: -97.372 flat angles C4'-P-C4' energy: -90.423 flat angles P-C4'-P energy: -55.582 tors. eta vs tors. theta energy: -96.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -1185.411427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.411427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.411427 (E_RNA) where: Base-Base interactions energy: -779.056 where: short stacking energy: -348.466 Base-Backbone interact. energy: -1.493 local terms energy: -404.861887 where: bonds (distance) C4'-P energy: -78.248 bonds (distance) P-C4' energy: -86.264 flat angles C4'-P-C4' energy: -96.023 flat angles P-C4'-P energy: -58.112 tors. eta vs tors. theta energy: -86.215 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: 10 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -790.048698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.048698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.048698 (E_RNA) where: Base-Base interactions energy: -474.427 where: short stacking energy: -220.462 Base-Backbone interact. energy: -1.701 local terms energy: -313.920169 where: bonds (distance) C4'-P energy: -79.142 bonds (distance) P-C4' energy: -85.129 flat angles C4'-P-C4' energy: -81.668 flat angles P-C4'-P energy: -51.474 tors. eta vs tors. theta energy: -16.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -604.969357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.969357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.969357 (E_RNA) where: Base-Base interactions energy: -343.297 where: short stacking energy: -164.341 Base-Backbone interact. energy: -0.703 local terms energy: -260.968700 where: bonds (distance) C4'-P energy: -83.027 bonds (distance) P-C4' energy: -51.370 flat angles C4'-P-C4' energy: -71.862 flat angles P-C4'-P energy: -57.079 tors. eta vs tors. theta energy: 2.369 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: 132 Temperature: 0.900000 Total energy: -1799.884973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.884973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.884973 (E_RNA) where: Base-Base interactions energy: -1281.928 where: short stacking energy: -533.789 Base-Backbone interact. energy: -0.411 local terms energy: -517.545808 where: bonds (distance) C4'-P energy: -94.502 bonds (distance) P-C4' energy: -86.189 flat angles C4'-P-C4' energy: -108.964 flat angles P-C4'-P energy: -73.780 tors. eta vs tors. theta energy: -154.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1661.586456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.586456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.586456 (E_RNA) where: Base-Base interactions energy: -1170.749 where: short stacking energy: -463.723 Base-Backbone interact. energy: -3.824 local terms energy: -487.013740 where: bonds (distance) C4'-P energy: -98.864 bonds (distance) P-C4' energy: -82.906 flat angles C4'-P-C4' energy: -106.375 flat angles P-C4'-P energy: -71.446 tors. eta vs tors. theta energy: -127.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1608.030174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.030174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.030174 (E_RNA) where: Base-Base interactions energy: -1109.363 where: short stacking energy: -470.304 Base-Backbone interact. energy: 6.559 local terms energy: -505.226436 where: bonds (distance) C4'-P energy: -85.397 bonds (distance) P-C4' energy: -100.684 flat angles C4'-P-C4' energy: -114.002 flat angles P-C4'-P energy: -81.899 tors. eta vs tors. theta energy: -123.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1589.678471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.678471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.678471 (E_RNA) where: Base-Base interactions energy: -1102.963 where: short stacking energy: -493.815 Base-Backbone interact. energy: -0.984 local terms energy: -485.731511 where: bonds (distance) C4'-P energy: -84.002 bonds (distance) P-C4' energy: -96.936 flat angles C4'-P-C4' energy: -108.885 flat angles P-C4'-P energy: -67.321 tors. eta vs tors. theta energy: -128.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -1421.497194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.497194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.497194 (E_RNA) where: Base-Base interactions energy: -963.474 where: short stacking energy: -419.580 Base-Backbone interact. energy: 0.074 local terms energy: -458.097300 where: bonds (distance) C4'-P energy: -85.016 bonds (distance) P-C4' energy: -101.767 flat angles C4'-P-C4' energy: -101.140 flat angles P-C4'-P energy: -66.947 tors. eta vs tors. theta energy: -103.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -1297.351056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.351056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.351056 (E_RNA) where: Base-Base interactions energy: -871.028 where: short stacking energy: -381.231 Base-Backbone interact. energy: -1.401 local terms energy: -424.922112 where: bonds (distance) C4'-P energy: -85.232 bonds (distance) P-C4' energy: -84.202 flat angles C4'-P-C4' energy: -91.370 flat angles P-C4'-P energy: -64.634 tors. eta vs tors. theta energy: -99.483 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: 3 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -1274.525146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.525146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.525146 (E_RNA) where: Base-Base interactions energy: -870.201 where: short stacking energy: -381.204 Base-Backbone interact. energy: -2.078 local terms energy: -402.245567 where: bonds (distance) C4'-P energy: -69.461 bonds (distance) P-C4' energy: -87.835 flat angles C4'-P-C4' energy: -88.334 flat angles P-C4'-P energy: -61.586 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: 8, replica: 4 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -1210.576739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.576739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.576739 (E_RNA) where: Base-Base interactions energy: -817.456 where: short stacking energy: -361.010 Base-Backbone interact. energy: -1.343 local terms energy: -391.776993 where: bonds (distance) C4'-P energy: -68.511 bonds (distance) P-C4' energy: -83.912 flat angles C4'-P-C4' energy: -90.325 flat angles P-C4'-P energy: -74.210 tors. eta vs tors. theta energy: -74.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -826.357339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.357339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.357339 (E_RNA) where: Base-Base interactions energy: -506.414 where: short stacking energy: -243.734 Base-Backbone interact. energy: 3.840 local terms energy: -323.783300 where: bonds (distance) C4'-P energy: -79.753 bonds (distance) P-C4' energy: -93.348 flat angles C4'-P-C4' energy: -72.909 flat angles P-C4'-P energy: -44.274 tors. eta vs tors. theta energy: -33.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -688.326561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.326561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.326561 (E_RNA) where: Base-Base interactions energy: -395.957 where: short stacking energy: -221.556 Base-Backbone interact. energy: 3.074 local terms energy: -295.443484 where: bonds (distance) C4'-P energy: -75.948 bonds (distance) P-C4' energy: -84.958 flat angles C4'-P-C4' energy: -61.437 flat angles P-C4'-P energy: -55.883 tors. eta vs tors. theta energy: -17.219 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: 1, replica: 5 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1806.676681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.676681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.676681 (E_RNA) where: Base-Base interactions energy: -1293.648 where: short stacking energy: -540.057 Base-Backbone interact. energy: -1.996 local terms energy: -511.033053 where: bonds (distance) C4'-P energy: -85.658 bonds (distance) P-C4' energy: -94.284 flat angles C4'-P-C4' energy: -110.570 flat angles P-C4'-P energy: -72.063 tors. eta vs tors. theta energy: -148.459 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: 2, replica: 7 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -1664.923307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.923307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.923307 (E_RNA) where: Base-Base interactions energy: -1172.993 where: short stacking energy: -470.370 Base-Backbone interact. energy: -1.779 local terms energy: -490.150976 where: bonds (distance) C4'-P energy: -101.424 bonds (distance) P-C4' energy: -97.564 flat angles C4'-P-C4' energy: -106.111 flat angles P-C4'-P energy: -68.244 tors. eta vs tors. theta energy: -116.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1613.193200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.193200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.193200 (E_RNA) where: Base-Base interactions energy: -1141.794 where: short stacking energy: -466.191 Base-Backbone interact. energy: 1.252 local terms energy: -472.651325 where: bonds (distance) C4'-P energy: -81.244 bonds (distance) P-C4' energy: -97.867 flat angles C4'-P-C4' energy: -99.363 flat angles P-C4'-P energy: -70.545 tors. eta vs tors. theta energy: -123.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -1573.315248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.315248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.315248 (E_RNA) where: Base-Base interactions energy: -1100.429 where: short stacking energy: -453.428 Base-Backbone interact. energy: -0.785 local terms energy: -472.100998 where: bonds (distance) C4'-P energy: -98.313 bonds (distance) P-C4' energy: -85.682 flat angles C4'-P-C4' energy: -96.449 flat angles P-C4'-P energy: -69.896 tors. eta vs tors. theta energy: -121.762 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: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -1515.288845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.288845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.288845 (E_RNA) where: Base-Base interactions energy: -1077.609 where: short stacking energy: -479.423 Base-Backbone interact. energy: -1.772 local terms energy: -435.907918 where: bonds (distance) C4'-P energy: -74.559 bonds (distance) P-C4' energy: -72.393 flat angles C4'-P-C4' energy: -98.979 flat angles P-C4'-P energy: -64.508 tors. eta vs tors. theta energy: -125.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -1361.718491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.718491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.718491 (E_RNA) where: Base-Base interactions energy: -937.750 where: short stacking energy: -411.872 Base-Backbone interact. energy: 2.104 local terms energy: -426.072468 where: bonds (distance) C4'-P energy: -75.655 bonds (distance) P-C4' energy: -97.613 flat angles C4'-P-C4' energy: -95.536 flat angles P-C4'-P energy: -51.224 tors. eta vs tors. theta energy: -106.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -1250.106273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.106273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.106273 (E_RNA) where: Base-Base interactions energy: -869.803 where: short stacking energy: -374.805 Base-Backbone interact. energy: -1.608 local terms energy: -378.695704 where: bonds (distance) C4'-P energy: -71.387 bonds (distance) P-C4' energy: -61.816 flat angles C4'-P-C4' energy: -96.400 flat angles P-C4'-P energy: -64.921 tors. eta vs tors. theta energy: -84.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -1184.874949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.874949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.874949 (E_RNA) where: Base-Base interactions energy: -785.273 where: short stacking energy: -343.553 Base-Backbone interact. energy: -1.156 local terms energy: -398.445883 where: bonds (distance) C4'-P energy: -89.370 bonds (distance) P-C4' energy: -82.395 flat angles C4'-P-C4' energy: -84.754 flat angles P-C4'-P energy: -53.629 tors. eta vs tors. theta energy: -88.297 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: 10 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -766.510799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.510799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.510799 (E_RNA) where: Base-Base interactions energy: -478.986 where: short stacking energy: -214.754 Base-Backbone interact. energy: -1.576 local terms energy: -285.948377 where: bonds (distance) C4'-P energy: -76.941 bonds (distance) P-C4' energy: -76.600 flat angles C4'-P-C4' energy: -70.962 flat angles P-C4'-P energy: -45.935 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: 10, replica: 2 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -645.225102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.225102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.225102 (E_RNA) where: Base-Base interactions energy: -373.574 where: short stacking energy: -181.808 Base-Backbone interact. energy: 1.043 local terms energy: -272.694435 where: bonds (distance) C4'-P energy: -74.006 bonds (distance) P-C4' energy: -89.161 flat angles C4'-P-C4' energy: -58.864 flat angles P-C4'-P energy: -36.317 tors. eta vs tors. theta energy: -14.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1799.050108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.050108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.050108 (E_RNA) where: Base-Base interactions energy: -1266.898 where: short stacking energy: -535.256 Base-Backbone interact. energy: -3.044 local terms energy: -529.108408 where: bonds (distance) C4'-P energy: -99.685 bonds (distance) P-C4' energy: -106.635 flat angles C4'-P-C4' energy: -104.970 flat angles P-C4'-P energy: -71.768 tors. eta vs tors. theta energy: -146.050 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: 7 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1685.258143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.258143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.258143 (E_RNA) where: Base-Base interactions energy: -1216.556 where: short stacking energy: -478.140 Base-Backbone interact. energy: -0.489 local terms energy: -468.212931 where: bonds (distance) C4'-P energy: -87.681 bonds (distance) P-C4' energy: -82.913 flat angles C4'-P-C4' energy: -102.968 flat angles P-C4'-P energy: -69.489 tors. eta vs tors. theta energy: -125.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1611.184148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.184148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.184148 (E_RNA) where: Base-Base interactions energy: -1129.488 where: short stacking energy: -459.516 Base-Backbone interact. energy: 3.823 local terms energy: -485.518903 where: bonds (distance) C4'-P energy: -88.844 bonds (distance) P-C4' energy: -93.547 flat angles C4'-P-C4' energy: -105.166 flat angles P-C4'-P energy: -77.185 tors. eta vs tors. theta energy: -120.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -1561.552436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.552436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.552436 (E_RNA) where: Base-Base interactions energy: -1075.950 where: short stacking energy: -451.724 Base-Backbone interact. energy: -1.463 local terms energy: -484.138957 where: bonds (distance) C4'-P energy: -104.301 bonds (distance) P-C4' energy: -92.064 flat angles C4'-P-C4' energy: -101.767 flat angles P-C4'-P energy: -68.721 tors. eta vs tors. theta energy: -117.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -1537.853517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.853517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.853517 (E_RNA) where: Base-Base interactions energy: -1067.310 where: short stacking energy: -452.390 Base-Backbone interact. energy: -0.935 local terms energy: -469.609214 where: bonds (distance) C4'-P energy: -87.493 bonds (distance) P-C4' energy: -92.378 flat angles C4'-P-C4' energy: -98.066 flat angles P-C4'-P energy: -65.287 tors. eta vs tors. theta energy: -126.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -1366.959465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.959465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.959465 (E_RNA) where: Base-Base interactions energy: -935.248 where: short stacking energy: -397.602 Base-Backbone interact. energy: -0.135 local terms energy: -431.576494 where: bonds (distance) C4'-P energy: -74.983 bonds (distance) P-C4' energy: -95.947 flat angles C4'-P-C4' energy: -92.111 flat angles P-C4'-P energy: -60.674 tors. eta vs tors. theta energy: -107.860 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: 134 Temperature: 1.200000 Total energy: -1301.959415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.959415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.959415 (E_RNA) where: Base-Base interactions energy: -864.817 where: short stacking energy: -402.282 Base-Backbone interact. energy: -1.312 local terms energy: -435.830799 where: bonds (distance) C4'-P energy: -87.636 bonds (distance) P-C4' energy: -84.951 flat angles C4'-P-C4' energy: -95.324 flat angles P-C4'-P energy: -62.522 tors. eta vs tors. theta energy: -105.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -1233.684604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.684604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.684604 (E_RNA) where: Base-Base interactions energy: -827.351 where: short stacking energy: -370.960 Base-Backbone interact. energy: -0.682 local terms energy: -405.651478 where: bonds (distance) C4'-P energy: -74.119 bonds (distance) P-C4' energy: -88.400 flat angles C4'-P-C4' energy: -94.864 flat angles P-C4'-P energy: -58.956 tors. eta vs tors. theta energy: -89.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -745.945195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.945195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.945195 (E_RNA) where: Base-Base interactions energy: -455.691 where: short stacking energy: -248.688 Base-Backbone interact. energy: 4.900 local terms energy: -295.154901 where: bonds (distance) C4'-P energy: -66.671 bonds (distance) P-C4' energy: -84.067 flat angles C4'-P-C4' energy: -71.872 flat angles P-C4'-P energy: -44.602 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: 10, replica: 2 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -649.157446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.157446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.157446 (E_RNA) where: Base-Base interactions energy: -367.395 where: short stacking energy: -199.183 Base-Backbone interact. energy: 4.185 local terms energy: -285.947769 where: bonds (distance) C4'-P energy: -70.715 bonds (distance) P-C4' energy: -89.901 flat angles C4'-P-C4' energy: -60.846 flat angles P-C4'-P energy: -45.304 tors. eta vs tors. theta energy: -19.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1793.571067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.571067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.571067 (E_RNA) where: Base-Base interactions energy: -1263.449 where: short stacking energy: -534.442 Base-Backbone interact. energy: -3.625 local terms energy: -526.497369 where: bonds (distance) C4'-P energy: -111.335 bonds (distance) P-C4' energy: -88.821 flat angles C4'-P-C4' energy: -98.608 flat angles P-C4'-P energy: -81.790 tors. eta vs tors. theta energy: -145.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1685.125659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.125659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.125659 (E_RNA) where: Base-Base interactions energy: -1209.232 where: short stacking energy: -485.393 Base-Backbone interact. energy: 2.274 local terms energy: -478.168005 where: bonds (distance) C4'-P energy: -95.922 bonds (distance) P-C4' energy: -84.981 flat angles C4'-P-C4' energy: -112.465 flat angles P-C4'-P energy: -68.615 tors. eta vs tors. theta energy: -116.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1629.073180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.073180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.073180 (E_RNA) where: Base-Base interactions energy: -1117.844 where: short stacking energy: -477.177 Base-Backbone interact. energy: -0.696 local terms energy: -510.533955 where: bonds (distance) C4'-P energy: -107.245 bonds (distance) P-C4' energy: -107.610 flat angles C4'-P-C4' energy: -102.582 flat angles P-C4'-P energy: -68.105 tors. eta vs tors. theta energy: -124.992 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: 6 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -1610.591908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.591908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.591908 (E_RNA) where: Base-Base interactions energy: -1115.145 where: short stacking energy: -478.616 Base-Backbone interact. energy: -1.311 local terms energy: -494.136124 where: bonds (distance) C4'-P energy: -91.254 bonds (distance) P-C4' energy: -82.484 flat angles C4'-P-C4' energy: -108.115 flat angles P-C4'-P energy: -79.038 tors. eta vs tors. theta energy: -133.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -1515.386020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.386020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.386020 (E_RNA) where: Base-Base interactions energy: -1018.414 where: short stacking energy: -459.106 Base-Backbone interact. energy: -1.167 local terms energy: -495.805112 where: bonds (distance) C4'-P energy: -81.613 bonds (distance) P-C4' energy: -94.299 flat angles C4'-P-C4' energy: -113.785 flat angles P-C4'-P energy: -71.500 tors. eta vs tors. theta energy: -134.608 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: 3 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -1322.592000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.592000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.592000 (E_RNA) where: Base-Base interactions energy: -881.352 where: short stacking energy: -404.836 Base-Backbone interact. energy: 0.610 local terms energy: -441.849801 where: bonds (distance) C4'-P energy: -91.059 bonds (distance) P-C4' energy: -73.535 flat angles C4'-P-C4' energy: -102.762 flat angles P-C4'-P energy: -68.178 tors. eta vs tors. theta energy: -106.315 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: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -1328.006945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.006945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.006945 (E_RNA) where: Base-Base interactions energy: -908.278 where: short stacking energy: -397.496 Base-Backbone interact. energy: -0.527 local terms energy: -419.201041 where: bonds (distance) C4'-P energy: -76.923 bonds (distance) P-C4' energy: -86.465 flat angles C4'-P-C4' energy: -83.151 flat angles P-C4'-P energy: -63.145 tors. eta vs tors. theta energy: -109.517 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: 4 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -1214.210062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.210062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.210062 (E_RNA) where: Base-Base interactions energy: -823.692 where: short stacking energy: -368.507 Base-Backbone interact. energy: -1.255 local terms energy: -389.263576 where: bonds (distance) C4'-P energy: -72.752 bonds (distance) P-C4' energy: -90.490 flat angles C4'-P-C4' energy: -83.711 flat angles P-C4'-P energy: -50.071 tors. eta vs tors. theta energy: -92.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -735.716521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.716521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.716521 (E_RNA) where: Base-Base interactions energy: -442.791 where: short stacking energy: -223.188 Base-Backbone interact. energy: -0.188 local terms energy: -292.738368 where: bonds (distance) C4'-P energy: -75.862 bonds (distance) P-C4' energy: -70.375 flat angles C4'-P-C4' energy: -58.338 flat angles P-C4'-P energy: -53.428 tors. eta vs tors. theta energy: -34.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -609.247554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.247554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.247554 (E_RNA) where: Base-Base interactions energy: -330.882 where: short stacking energy: -171.923 Base-Backbone interact. energy: -0.679 local terms energy: -277.685825 where: bonds (distance) C4'-P energy: -93.539 bonds (distance) P-C4' energy: -89.260 flat angles C4'-P-C4' energy: -68.139 flat angles P-C4'-P energy: -19.609 tors. eta vs tors. theta energy: -7.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1828.103137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.103137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.103137 (E_RNA) where: Base-Base interactions energy: -1269.814 where: short stacking energy: -529.556 Base-Backbone interact. energy: -0.792 local terms energy: -557.498009 where: bonds (distance) C4'-P energy: -105.521 bonds (distance) P-C4' energy: -103.228 flat angles C4'-P-C4' energy: -111.732 flat angles P-C4'-P energy: -81.886 tors. eta vs tors. theta energy: -155.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1681.330505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.330505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.330505 (E_RNA) where: Base-Base interactions energy: -1182.056 where: short stacking energy: -460.942 Base-Backbone interact. energy: -3.143 local terms energy: -496.131709 where: bonds (distance) C4'-P energy: -102.588 bonds (distance) P-C4' energy: -96.805 flat angles C4'-P-C4' energy: -102.860 flat angles P-C4'-P energy: -67.111 tors. eta vs tors. theta energy: -126.768 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: 6 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1680.027936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.027936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.027936 (E_RNA) where: Base-Base interactions energy: -1147.066 where: short stacking energy: -501.828 Base-Backbone interact. energy: -5.796 local terms energy: -527.165950 where: bonds (distance) C4'-P energy: -97.190 bonds (distance) P-C4' energy: -93.467 flat angles C4'-P-C4' energy: -117.834 flat angles P-C4'-P energy: -81.169 tors. eta vs tors. theta energy: -137.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -1526.131032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.131032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.131032 (E_RNA) where: Base-Base interactions energy: -1065.524 where: short stacking energy: -449.227 Base-Backbone interact. energy: 0.618 local terms energy: -461.225090 where: bonds (distance) C4'-P energy: -94.889 bonds (distance) P-C4' energy: -92.953 flat angles C4'-P-C4' energy: -95.020 flat angles P-C4'-P energy: -74.665 tors. eta vs tors. theta energy: -103.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -1488.518061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.518061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.518061 (E_RNA) where: Base-Base interactions energy: -1017.689 where: short stacking energy: -433.961 Base-Backbone interact. energy: 0.109 local terms energy: -470.938053 where: bonds (distance) C4'-P energy: -94.652 bonds (distance) P-C4' energy: -103.012 flat angles C4'-P-C4' energy: -91.201 flat angles P-C4'-P energy: -63.428 tors. eta vs tors. theta energy: -118.646 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: 6, replica: 3 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -1338.171592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1338.171592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1338.171592 (E_RNA) where: Base-Base interactions energy: -890.791 where: short stacking energy: -392.309 Base-Backbone interact. energy: -5.824 local terms energy: -441.556069 where: bonds (distance) C4'-P energy: -74.005 bonds (distance) P-C4' energy: -79.911 flat angles C4'-P-C4' energy: -104.874 flat angles P-C4'-P energy: -60.652 tors. eta vs tors. theta energy: -122.114 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: 136 Temperature: 1.200000 Total energy: -1284.943985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.943985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.943985 (E_RNA) where: Base-Base interactions energy: -848.144 where: short stacking energy: -382.334 Base-Backbone interact. energy: -2.540 local terms energy: -434.259823 where: bonds (distance) C4'-P energy: -94.036 bonds (distance) P-C4' energy: -91.157 flat angles C4'-P-C4' energy: -96.081 flat angles P-C4'-P energy: -53.854 tors. eta vs tors. theta energy: -99.132 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: 8, replica: 4 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -1223.085520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.085520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.085520 (E_RNA) where: Base-Base interactions energy: -829.715 where: short stacking energy: -368.063 Base-Backbone interact. energy: 0.756 local terms energy: -394.126386 where: bonds (distance) C4'-P energy: -71.619 bonds (distance) P-C4' energy: -82.561 flat angles C4'-P-C4' energy: -93.590 flat angles P-C4'-P energy: -55.585 tors. eta vs tors. theta energy: -90.772 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: 136 Temperature: 1.300000 Total energy: -743.982487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.982487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.982487 (E_RNA) where: Base-Base interactions energy: -441.986 where: short stacking energy: -230.249 Base-Backbone interact. energy: -0.884 local terms energy: -301.112742 where: bonds (distance) C4'-P energy: -79.653 bonds (distance) P-C4' energy: -88.523 flat angles C4'-P-C4' energy: -71.318 flat angles P-C4'-P energy: -42.282 tors. eta vs tors. theta energy: -19.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -602.078520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.078520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.078520 (E_RNA) where: Base-Base interactions energy: -345.130 where: short stacking energy: -185.058 Base-Backbone interact. energy: -0.175 local terms energy: -256.773024 where: bonds (distance) C4'-P energy: -67.114 bonds (distance) P-C4' energy: -86.083 flat angles C4'-P-C4' energy: -76.451 flat angles P-C4'-P energy: -35.358 tors. eta vs tors. theta energy: 8.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1824.076443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.076443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.076443 (E_RNA) where: Base-Base interactions energy: -1279.935 where: short stacking energy: -541.116 Base-Backbone interact. energy: -1.654 local terms energy: -542.486716 where: bonds (distance) C4'-P energy: -97.556 bonds (distance) P-C4' energy: -98.589 flat angles C4'-P-C4' energy: -104.402 flat angles P-C4'-P energy: -82.828 tors. eta vs tors. theta energy: -159.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1658.569555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.569555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.569555 (E_RNA) where: Base-Base interactions energy: -1179.378 where: short stacking energy: -474.966 Base-Backbone interact. energy: -0.520 local terms energy: -478.671236 where: bonds (distance) C4'-P energy: -97.253 bonds (distance) P-C4' energy: -90.123 flat angles C4'-P-C4' energy: -107.011 flat angles P-C4'-P energy: -73.159 tors. eta vs tors. theta energy: -111.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -1699.646025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.646025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.646025 (E_RNA) where: Base-Base interactions energy: -1195.976 where: short stacking energy: -526.801 Base-Backbone interact. energy: -1.497 local terms energy: -502.172776 where: bonds (distance) C4'-P energy: -94.595 bonds (distance) P-C4' energy: -84.680 flat angles C4'-P-C4' energy: -111.392 flat angles P-C4'-P energy: -69.162 tors. eta vs tors. theta energy: -142.344 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: 1 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -1531.196588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.196588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.196588 (E_RNA) where: Base-Base interactions energy: -1070.384 where: short stacking energy: -421.385 Base-Backbone interact. energy: 1.110 local terms energy: -461.922890 where: bonds (distance) C4'-P energy: -87.626 bonds (distance) P-C4' energy: -97.184 flat angles C4'-P-C4' energy: -107.036 flat angles P-C4'-P energy: -65.478 tors. eta vs tors. theta energy: -104.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -1497.343523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.343523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.343523 (E_RNA) where: Base-Base interactions energy: -1022.931 where: short stacking energy: -450.182 Base-Backbone interact. energy: -3.526 local terms energy: -470.886336 where: bonds (distance) C4'-P energy: -83.596 bonds (distance) P-C4' energy: -82.619 flat angles C4'-P-C4' energy: -108.111 flat angles P-C4'-P energy: -69.698 tors. eta vs tors. theta energy: -126.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -1385.995100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.995100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.995100 (E_RNA) where: Base-Base interactions energy: -924.841 where: short stacking energy: -420.207 Base-Backbone interact. energy: -1.858 local terms energy: -459.296220 where: bonds (distance) C4'-P energy: -86.157 bonds (distance) P-C4' energy: -100.826 flat angles C4'-P-C4' energy: -102.690 flat angles P-C4'-P energy: -53.209 tors. eta vs tors. theta energy: -116.414 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: 7, replica: 8 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -1248.556378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.556378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.556378 (E_RNA) where: Base-Base interactions energy: -848.272 where: short stacking energy: -363.735 Base-Backbone interact. energy: -4.071 local terms energy: -396.213422 where: bonds (distance) C4'-P energy: -87.409 bonds (distance) P-C4' energy: -80.666 flat angles C4'-P-C4' energy: -71.853 flat angles P-C4'-P energy: -57.370 tors. eta vs tors. theta energy: -98.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -1236.217106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.217106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.217106 (E_RNA) where: Base-Base interactions energy: -835.394 where: short stacking energy: -382.559 Base-Backbone interact. energy: 4.196 local terms energy: -405.020068 where: bonds (distance) C4'-P energy: -57.423 bonds (distance) P-C4' energy: -89.140 flat angles C4'-P-C4' energy: -96.740 flat angles P-C4'-P energy: -62.855 tors. eta vs tors. theta energy: -98.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -683.512208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.512208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.512208 (E_RNA) where: Base-Base interactions energy: -410.244 where: short stacking energy: -207.772 Base-Backbone interact. energy: 0.539 local terms energy: -273.806824 where: bonds (distance) C4'-P energy: -74.474 bonds (distance) P-C4' energy: -81.210 flat angles C4'-P-C4' energy: -65.828 flat angles P-C4'-P energy: -42.798 tors. eta vs tors. theta energy: -9.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -570.072161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.072161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.072161 (E_RNA) where: Base-Base interactions energy: -283.868 where: short stacking energy: -176.749 Base-Backbone interact. energy: -1.707 local terms energy: -284.496547 where: bonds (distance) C4'-P energy: -88.290 bonds (distance) P-C4' energy: -90.201 flat angles C4'-P-C4' energy: -51.839 flat angles P-C4'-P energy: -44.505 tors. eta vs tors. theta energy: -9.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1805.429621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.429621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.429621 (E_RNA) where: Base-Base interactions energy: -1273.776 where: short stacking energy: -531.399 Base-Backbone interact. energy: -1.789 local terms energy: -529.865100 where: bonds (distance) C4'-P energy: -88.537 bonds (distance) P-C4' energy: -102.783 flat angles C4'-P-C4' energy: -109.270 flat angles P-C4'-P energy: -70.462 tors. eta vs tors. theta energy: -158.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1665.829791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.829791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.829791 (E_RNA) where: Base-Base interactions energy: -1204.630 where: short stacking energy: -492.359 Base-Backbone interact. energy: -3.034 local terms energy: -458.165404 where: bonds (distance) C4'-P energy: -85.348 bonds (distance) P-C4' energy: -76.052 flat angles C4'-P-C4' energy: -103.936 flat angles P-C4'-P energy: -71.212 tors. eta vs tors. theta energy: -121.618 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: 6 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1703.213235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.213235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.213235 (E_RNA) where: Base-Base interactions energy: -1182.861 where: short stacking energy: -523.397 Base-Backbone interact. energy: -2.418 local terms energy: -517.933519 where: bonds (distance) C4'-P energy: -104.590 bonds (distance) P-C4' energy: -93.579 flat angles C4'-P-C4' energy: -102.973 flat angles P-C4'-P energy: -70.570 tors. eta vs tors. theta energy: -146.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -1558.904089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.904089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.904089 (E_RNA) where: Base-Base interactions energy: -1107.624 where: short stacking energy: -444.834 Base-Backbone interact. energy: -2.472 local terms energy: -448.807684 where: bonds (distance) C4'-P energy: -79.610 bonds (distance) P-C4' energy: -97.603 flat angles C4'-P-C4' energy: -105.334 flat angles P-C4'-P energy: -55.527 tors. eta vs tors. theta energy: -110.735 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: 5, replica: 9 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -1506.802962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.802962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.802962 (E_RNA) where: Base-Base interactions energy: -1055.618 where: short stacking energy: -472.066 Base-Backbone interact. energy: 1.437 local terms energy: -452.622461 where: bonds (distance) C4'-P energy: -72.683 bonds (distance) P-C4' energy: -81.830 flat angles C4'-P-C4' energy: -92.150 flat angles P-C4'-P energy: -69.713 tors. eta vs tors. theta energy: -136.246 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: 3 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -1365.353451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.353451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.353451 (E_RNA) where: Base-Base interactions energy: -926.772 where: short stacking energy: -413.853 Base-Backbone interact. energy: 5.162 local terms energy: -443.743232 where: bonds (distance) C4'-P energy: -88.362 bonds (distance) P-C4' energy: -84.491 flat angles C4'-P-C4' energy: -98.528 flat angles P-C4'-P energy: -55.410 tors. eta vs tors. theta energy: -116.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -1339.790185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.790185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.790185 (E_RNA) where: Base-Base interactions energy: -909.980 where: short stacking energy: -410.142 Base-Backbone interact. energy: -3.241 local terms energy: -426.569298 where: bonds (distance) C4'-P energy: -82.916 bonds (distance) P-C4' energy: -80.521 flat angles C4'-P-C4' energy: -88.133 flat angles P-C4'-P energy: -60.802 tors. eta vs tors. theta energy: -114.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -1226.548838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.548838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.548838 (E_RNA) where: Base-Base interactions energy: -830.846 where: short stacking energy: -352.803 Base-Backbone interact. energy: 1.801 local terms energy: -397.504203 where: bonds (distance) C4'-P energy: -78.937 bonds (distance) P-C4' energy: -72.242 flat angles C4'-P-C4' energy: -87.013 flat angles P-C4'-P energy: -71.879 tors. eta vs tors. theta energy: -87.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -711.861832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.861832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.861832 (E_RNA) where: Base-Base interactions energy: -391.668 where: short stacking energy: -211.352 Base-Backbone interact. energy: -1.023 local terms energy: -319.170825 where: bonds (distance) C4'-P energy: -74.467 bonds (distance) P-C4' energy: -88.249 flat angles C4'-P-C4' energy: -74.600 flat angles P-C4'-P energy: -47.079 tors. eta vs tors. theta energy: -34.776 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: 10, replica: 2 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -599.799193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.799193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.799193 (E_RNA) where: Base-Base interactions energy: -329.147 where: short stacking energy: -194.682 Base-Backbone interact. energy: -1.045 local terms energy: -269.607925 where: bonds (distance) C4'-P energy: -76.265 bonds (distance) P-C4' energy: -87.066 flat angles C4'-P-C4' energy: -73.059 flat angles P-C4'-P energy: -34.007 tors. eta vs tors. theta energy: 0.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1823.351268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.351268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.351268 (E_RNA) where: Base-Base interactions energy: -1281.487 where: short stacking energy: -538.094 Base-Backbone interact. energy: -1.967 local terms energy: -539.897486 where: bonds (distance) C4'-P energy: -91.415 bonds (distance) P-C4' energy: -102.339 flat angles C4'-P-C4' energy: -111.715 flat angles P-C4'-P energy: -84.596 tors. eta vs tors. theta energy: -149.833 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: 6 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1738.016422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.016422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.016422 (E_RNA) where: Base-Base interactions energy: -1222.502 where: short stacking energy: -552.752 Base-Backbone interact. energy: 0.484 local terms energy: -515.998382 where: bonds (distance) C4'-P energy: -72.568 bonds (distance) P-C4' energy: -98.576 flat angles C4'-P-C4' energy: -117.871 flat angles P-C4'-P energy: -80.112 tors. eta vs tors. theta energy: -146.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1620.616734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.616734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.616734 (E_RNA) where: Base-Base interactions energy: -1125.536 where: short stacking energy: -457.005 Base-Backbone interact. energy: 2.143 local terms energy: -497.223694 where: bonds (distance) C4'-P energy: -96.930 bonds (distance) P-C4' energy: -104.088 flat angles C4'-P-C4' energy: -106.050 flat angles P-C4'-P energy: -69.863 tors. eta vs tors. theta energy: -120.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -1551.403232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.403232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.403232 (E_RNA) where: Base-Base interactions energy: -1071.511 where: short stacking energy: -464.622 Base-Backbone interact. energy: -1.528 local terms energy: -478.364040 where: bonds (distance) C4'-P energy: -70.777 bonds (distance) P-C4' energy: -100.531 flat angles C4'-P-C4' energy: -107.075 flat angles P-C4'-P energy: -71.747 tors. eta vs tors. theta energy: -128.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -1512.915904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.915904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.915904 (E_RNA) where: Base-Base interactions energy: -1071.643 where: short stacking energy: -456.540 Base-Backbone interact. energy: 0.500 local terms energy: -441.773527 where: bonds (distance) C4'-P energy: -84.971 bonds (distance) P-C4' energy: -88.723 flat angles C4'-P-C4' energy: -87.590 flat angles P-C4'-P energy: -57.153 tors. eta vs tors. theta energy: -123.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -1331.558331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.558331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.558331 (E_RNA) where: Base-Base interactions energy: -889.840 where: short stacking energy: -405.244 Base-Backbone interact. energy: -2.800 local terms energy: -438.917721 where: bonds (distance) C4'-P energy: -82.580 bonds (distance) P-C4' energy: -87.141 flat angles C4'-P-C4' energy: -106.215 flat angles P-C4'-P energy: -58.366 tors. eta vs tors. theta energy: -104.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -1305.435920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.435920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.435920 (E_RNA) where: Base-Base interactions energy: -913.465 where: short stacking energy: -383.478 Base-Backbone interact. energy: -0.699 local terms energy: -391.272333 where: bonds (distance) C4'-P energy: -72.287 bonds (distance) P-C4' energy: -83.195 flat angles C4'-P-C4' energy: -89.529 flat angles P-C4'-P energy: -52.974 tors. eta vs tors. theta energy: -93.288 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: 8, replica: 8 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -1200.222976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.222976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.222976 (E_RNA) where: Base-Base interactions energy: -820.530 where: short stacking energy: -346.913 Base-Backbone interact. energy: -2.659 local terms energy: -377.034030 where: bonds (distance) C4'-P energy: -92.293 bonds (distance) P-C4' energy: -71.389 flat angles C4'-P-C4' energy: -88.985 flat angles P-C4'-P energy: -44.378 tors. eta vs tors. theta energy: -79.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -688.883233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.883233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.883233 (E_RNA) where: Base-Base interactions energy: -371.621 where: short stacking energy: -213.583 Base-Backbone interact. energy: -3.193 local terms energy: -314.069284 where: bonds (distance) C4'-P energy: -69.933 bonds (distance) P-C4' energy: -83.540 flat angles C4'-P-C4' energy: -74.912 flat angles P-C4'-P energy: -65.398 tors. eta vs tors. theta energy: -20.286 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: 2 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -615.413682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.413682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.413682 (E_RNA) where: Base-Base interactions energy: -350.187 where: short stacking energy: -159.582 Base-Backbone interact. energy: -1.102 local terms energy: -264.124758 where: bonds (distance) C4'-P energy: -67.128 bonds (distance) P-C4' energy: -77.495 flat angles C4'-P-C4' energy: -71.038 flat angles P-C4'-P energy: -41.200 tors. eta vs tors. theta energy: -7.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1812.053023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1812.053023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1812.053023 (E_RNA) where: Base-Base interactions energy: -1279.133 where: short stacking energy: -549.893 Base-Backbone interact. energy: -1.723 local terms energy: -531.196871 where: bonds (distance) C4'-P energy: -106.355 bonds (distance) P-C4' energy: -93.978 flat angles C4'-P-C4' energy: -109.439 flat angles P-C4'-P energy: -68.333 tors. eta vs tors. theta energy: -153.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1749.658765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.658765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.658765 (E_RNA) where: Base-Base interactions energy: -1240.240 where: short stacking energy: -542.011 Base-Backbone interact. energy: -2.904 local terms energy: -506.514187 where: bonds (distance) C4'-P energy: -83.185 bonds (distance) P-C4' energy: -97.669 flat angles C4'-P-C4' energy: -113.207 flat angles P-C4'-P energy: -67.060 tors. eta vs tors. theta energy: -145.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1645.038256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.038256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.038256 (E_RNA) where: Base-Base interactions energy: -1156.047 where: short stacking energy: -467.113 Base-Backbone interact. energy: -4.553 local terms energy: -484.438850 where: bonds (distance) C4'-P energy: -89.548 bonds (distance) P-C4' energy: -101.577 flat angles C4'-P-C4' energy: -103.953 flat angles P-C4'-P energy: -71.975 tors. eta vs tors. theta energy: -117.385 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: 9 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -1546.199676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.199676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.199676 (E_RNA) where: Base-Base interactions energy: -1036.652 where: short stacking energy: -486.571 Base-Backbone interact. energy: -4.911 local terms energy: -504.636634 where: bonds (distance) C4'-P energy: -84.880 bonds (distance) P-C4' energy: -108.710 flat angles C4'-P-C4' energy: -110.811 flat angles P-C4'-P energy: -67.314 tors. eta vs tors. theta energy: -132.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -1507.885910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.885910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.885910 (E_RNA) where: Base-Base interactions energy: -1052.357 where: short stacking energy: -436.968 Base-Backbone interact. energy: -0.202 local terms energy: -455.326176 where: bonds (distance) C4'-P energy: -74.871 bonds (distance) P-C4' energy: -96.692 flat angles C4'-P-C4' energy: -98.001 flat angles P-C4'-P energy: -79.020 tors. eta vs tors. theta energy: -106.742 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: 3 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -1331.148389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.148389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.148389 (E_RNA) where: Base-Base interactions energy: -906.566 where: short stacking energy: -410.521 Base-Backbone interact. energy: -0.932 local terms energy: -423.650063 where: bonds (distance) C4'-P energy: -75.073 bonds (distance) P-C4' energy: -85.501 flat angles C4'-P-C4' energy: -94.180 flat angles P-C4'-P energy: -64.707 tors. eta vs tors. theta energy: -104.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -1356.648763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.648763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.648763 (E_RNA) where: Base-Base interactions energy: -907.160 where: short stacking energy: -415.080 Base-Backbone interact. energy: 1.734 local terms energy: -451.222772 where: bonds (distance) C4'-P energy: -82.918 bonds (distance) P-C4' energy: -91.758 flat angles C4'-P-C4' energy: -99.708 flat angles P-C4'-P energy: -66.862 tors. eta vs tors. theta energy: -109.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -1147.673485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.673485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.673485 (E_RNA) where: Base-Base interactions energy: -762.010 where: short stacking energy: -325.304 Base-Backbone interact. energy: 5.178 local terms energy: -390.841493 where: bonds (distance) C4'-P energy: -76.484 bonds (distance) P-C4' energy: -90.351 flat angles C4'-P-C4' energy: -90.868 flat angles P-C4'-P energy: -56.021 tors. eta vs tors. theta energy: -77.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -753.653360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.653360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.653360 (E_RNA) where: Base-Base interactions energy: -448.693 where: short stacking energy: -218.836 Base-Backbone interact. energy: -2.480 local terms energy: -302.481158 where: bonds (distance) C4'-P energy: -77.625 bonds (distance) P-C4' energy: -91.958 flat angles C4'-P-C4' energy: -72.984 flat angles P-C4'-P energy: -36.511 tors. eta vs tors. theta energy: -23.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -630.243361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.243361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.243361 (E_RNA) where: Base-Base interactions energy: -360.089 where: short stacking energy: -199.003 Base-Backbone interact. energy: -1.401 local terms energy: -268.753093 where: bonds (distance) C4'-P energy: -72.917 bonds (distance) P-C4' energy: -79.248 flat angles C4'-P-C4' energy: -66.435 flat angles P-C4'-P energy: -36.515 tors. eta vs tors. theta energy: -13.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1808.720903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.720903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.720903 (E_RNA) where: Base-Base interactions energy: -1294.878 where: short stacking energy: -532.201 Base-Backbone interact. energy: -1.796 local terms energy: -512.046939 where: bonds (distance) C4'-P energy: -80.856 bonds (distance) P-C4' energy: -103.754 flat angles C4'-P-C4' energy: -104.737 flat angles P-C4'-P energy: -75.891 tors. eta vs tors. theta energy: -146.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1767.481003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.481003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.481003 (E_RNA) where: Base-Base interactions energy: -1230.053 where: short stacking energy: -509.148 Base-Backbone interact. energy: 1.019 local terms energy: -538.447521 where: bonds (distance) C4'-P energy: -89.787 bonds (distance) P-C4' energy: -106.613 flat angles C4'-P-C4' energy: -113.883 flat angles P-C4'-P energy: -75.412 tors. eta vs tors. theta energy: -152.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1606.608376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.608376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.608376 (E_RNA) where: Base-Base interactions energy: -1128.300 where: short stacking energy: -464.661 Base-Backbone interact. energy: -1.711 local terms energy: -476.597584 where: bonds (distance) C4'-P energy: -87.824 bonds (distance) P-C4' energy: -92.872 flat angles C4'-P-C4' energy: -102.548 flat angles P-C4'-P energy: -72.462 tors. eta vs tors. theta energy: -120.893 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: 9 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -1559.750781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.750781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.750781 (E_RNA) where: Base-Base interactions energy: -1071.899 where: short stacking energy: -469.483 Base-Backbone interact. energy: -4.251 local terms energy: -483.601400 where: bonds (distance) C4'-P energy: -82.677 bonds (distance) P-C4' energy: -93.059 flat angles C4'-P-C4' energy: -104.423 flat angles P-C4'-P energy: -65.031 tors. eta vs tors. theta energy: -138.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -1524.795693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.795693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.795693 (E_RNA) where: Base-Base interactions energy: -1083.665 where: short stacking energy: -444.247 Base-Backbone interact. energy: -2.563 local terms energy: -438.568433 where: bonds (distance) C4'-P energy: -83.596 bonds (distance) P-C4' energy: -91.487 flat angles C4'-P-C4' energy: -99.209 flat angles P-C4'-P energy: -54.654 tors. eta vs tors. theta energy: -109.623 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: 3 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -1364.696448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.696448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.696448 (E_RNA) where: Base-Base interactions energy: -957.465 where: short stacking energy: -414.317 Base-Backbone interact. energy: -1.154 local terms energy: -406.077499 where: bonds (distance) C4'-P energy: -79.882 bonds (distance) P-C4' energy: -64.917 flat angles C4'-P-C4' energy: -88.532 flat angles P-C4'-P energy: -59.980 tors. eta vs tors. theta energy: -112.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -1332.748864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.748864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.748864 (E_RNA) where: Base-Base interactions energy: -921.259 where: short stacking energy: -420.160 Base-Backbone interact. energy: -0.718 local terms energy: -410.771886 where: bonds (distance) C4'-P energy: -63.028 bonds (distance) P-C4' energy: -79.995 flat angles C4'-P-C4' energy: -98.478 flat angles P-C4'-P energy: -63.836 tors. eta vs tors. theta energy: -105.435 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: 8 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -1102.638913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.638913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.638913 (E_RNA) where: Base-Base interactions energy: -751.539 where: short stacking energy: -323.229 Base-Backbone interact. energy: -0.684 local terms energy: -350.415185 where: bonds (distance) C4'-P energy: -78.534 bonds (distance) P-C4' energy: -69.842 flat angles C4'-P-C4' energy: -90.378 flat angles P-C4'-P energy: -49.236 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: 10 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -777.170449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.170449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.170449 (E_RNA) where: Base-Base interactions energy: -460.551 where: short stacking energy: -245.542 Base-Backbone interact. energy: 3.339 local terms energy: -319.958535 where: bonds (distance) C4'-P energy: -74.477 bonds (distance) P-C4' energy: -81.843 flat angles C4'-P-C4' energy: -85.469 flat angles P-C4'-P energy: -64.659 tors. eta vs tors. theta energy: -13.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -633.596785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.596785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.596785 (E_RNA) where: Base-Base interactions energy: -352.904 where: short stacking energy: -186.382 Base-Backbone interact. energy: -2.680 local terms energy: -278.012998 where: bonds (distance) C4'-P energy: -65.033 bonds (distance) P-C4' energy: -78.167 flat angles C4'-P-C4' energy: -75.532 flat angles P-C4'-P energy: -39.285 tors. eta vs tors. theta energy: -19.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1830.925821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.925821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.925821 (E_RNA) where: Base-Base interactions energy: -1276.225 where: short stacking energy: -517.974 Base-Backbone interact. energy: -4.694 local terms energy: -550.006862 where: bonds (distance) C4'-P energy: -103.565 bonds (distance) P-C4' energy: -107.167 flat angles C4'-P-C4' energy: -109.985 flat angles P-C4'-P energy: -84.874 tors. eta vs tors. theta energy: -144.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1760.702172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.702172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.702172 (E_RNA) where: Base-Base interactions energy: -1241.278 where: short stacking energy: -527.425 Base-Backbone interact. energy: -0.645 local terms energy: -518.778519 where: bonds (distance) C4'-P energy: -85.696 bonds (distance) P-C4' energy: -89.931 flat angles C4'-P-C4' energy: -122.472 flat angles P-C4'-P energy: -65.799 tors. eta vs tors. theta energy: -154.880 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: 7 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1625.012008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.012008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.012008 (E_RNA) where: Base-Base interactions energy: -1159.287 where: short stacking energy: -479.515 Base-Backbone interact. energy: 0.214 local terms energy: -465.939534 where: bonds (distance) C4'-P energy: -88.028 bonds (distance) P-C4' energy: -93.163 flat angles C4'-P-C4' energy: -94.343 flat angles P-C4'-P energy: -62.356 tors. eta vs tors. theta energy: -128.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -1547.394899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.394899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.394899 (E_RNA) where: Base-Base interactions energy: -1083.554 where: short stacking energy: -476.346 Base-Backbone interact. energy: -1.727 local terms energy: -462.114027 where: bonds (distance) C4'-P energy: -82.745 bonds (distance) P-C4' energy: -81.760 flat angles C4'-P-C4' energy: -110.576 flat angles P-C4'-P energy: -65.828 tors. eta vs tors. theta energy: -121.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -1499.103901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.103901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.103901 (E_RNA) where: Base-Base interactions energy: -1065.397 where: short stacking energy: -432.198 Base-Backbone interact. energy: 2.975 local terms energy: -436.681312 where: bonds (distance) C4'-P energy: -83.377 bonds (distance) P-C4' energy: -76.276 flat angles C4'-P-C4' energy: -92.887 flat angles P-C4'-P energy: -70.297 tors. eta vs tors. theta energy: -113.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -1345.627936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.627936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.627936 (E_RNA) where: Base-Base interactions energy: -915.437 where: short stacking energy: -419.795 Base-Backbone interact. energy: -1.267 local terms energy: -428.924712 where: bonds (distance) C4'-P energy: -77.835 bonds (distance) P-C4' energy: -98.248 flat angles C4'-P-C4' energy: -99.925 flat angles P-C4'-P energy: -54.783 tors. eta vs tors. theta energy: -98.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -1323.642520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.642520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.642520 (E_RNA) where: Base-Base interactions energy: -886.687 where: short stacking energy: -382.634 Base-Backbone interact. energy: 0.007 local terms energy: -436.962499 where: bonds (distance) C4'-P energy: -85.416 bonds (distance) P-C4' energy: -96.692 flat angles C4'-P-C4' energy: -93.235 flat angles P-C4'-P energy: -59.157 tors. eta vs tors. theta energy: -102.463 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: 8 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -1124.328228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.328228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.328228 (E_RNA) where: Base-Base interactions energy: -741.877 where: short stacking energy: -306.286 Base-Backbone interact. energy: -3.191 local terms energy: -379.260462 where: bonds (distance) C4'-P energy: -74.562 bonds (distance) P-C4' energy: -93.335 flat angles C4'-P-C4' energy: -83.707 flat angles P-C4'-P energy: -72.314 tors. eta vs tors. theta energy: -55.343 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: 142 Temperature: 1.300000 Total energy: -757.949528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.949528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.949528 (E_RNA) where: Base-Base interactions energy: -453.046 where: short stacking energy: -225.892 Base-Backbone interact. energy: 8.911 local terms energy: -313.814552 where: bonds (distance) C4'-P energy: -78.843 bonds (distance) P-C4' energy: -89.767 flat angles C4'-P-C4' energy: -67.219 flat angles P-C4'-P energy: -47.192 tors. eta vs tors. theta energy: -30.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -630.136508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.136508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.136508 (E_RNA) where: Base-Base interactions energy: -351.553 where: short stacking energy: -160.040 Base-Backbone interact. energy: -1.001 local terms energy: -277.582734 where: bonds (distance) C4'-P energy: -73.392 bonds (distance) P-C4' energy: -89.832 flat angles C4'-P-C4' energy: -70.305 flat angles P-C4'-P energy: -27.149 tors. eta vs tors. theta energy: -16.904 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: 5 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1851.083506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.083506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.083506 (E_RNA) where: Base-Base interactions energy: -1318.370 where: short stacking energy: -534.849 Base-Backbone interact. energy: -2.112 local terms energy: -530.601060 where: bonds (distance) C4'-P energy: -106.079 bonds (distance) P-C4' energy: -97.690 flat angles C4'-P-C4' energy: -106.719 flat angles P-C4'-P energy: -74.143 tors. eta vs tors. theta energy: -145.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1766.779232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.779232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.779232 (E_RNA) where: Base-Base interactions energy: -1274.971 where: short stacking energy: -534.965 Base-Backbone interact. energy: -1.986 local terms energy: -489.822209 where: bonds (distance) C4'-P energy: -93.518 bonds (distance) P-C4' energy: -88.478 flat angles C4'-P-C4' energy: -108.660 flat angles P-C4'-P energy: -61.956 tors. eta vs tors. theta energy: -137.210 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: 7 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -1632.945698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.945698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.945698 (E_RNA) where: Base-Base interactions energy: -1138.731 where: short stacking energy: -459.918 Base-Backbone interact. energy: 1.265 local terms energy: -495.479449 where: bonds (distance) C4'-P energy: -86.503 bonds (distance) P-C4' energy: -102.892 flat angles C4'-P-C4' energy: -111.425 flat angles P-C4'-P energy: -73.439 tors. eta vs tors. theta energy: -121.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -1570.831590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.831590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.831590 (E_RNA) where: Base-Base interactions energy: -1073.254 where: short stacking energy: -476.964 Base-Backbone interact. energy: -0.844 local terms energy: -496.733775 where: bonds (distance) C4'-P energy: -95.497 bonds (distance) P-C4' energy: -100.402 flat angles C4'-P-C4' energy: -94.642 flat angles P-C4'-P energy: -70.417 tors. eta vs tors. theta energy: -135.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -1552.802075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.802075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.802075 (E_RNA) where: Base-Base interactions energy: -1107.279 where: short stacking energy: -468.006 Base-Backbone interact. energy: -1.962 local terms energy: -443.560883 where: bonds (distance) C4'-P energy: -84.943 bonds (distance) P-C4' energy: -82.708 flat angles C4'-P-C4' energy: -100.806 flat angles P-C4'-P energy: -52.122 tors. eta vs tors. theta energy: -122.983 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: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -1368.473990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.473990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.473990 (E_RNA) where: Base-Base interactions energy: -936.890 where: short stacking energy: -436.111 Base-Backbone interact. energy: -1.163 local terms energy: -430.420397 where: bonds (distance) C4'-P energy: -78.497 bonds (distance) P-C4' energy: -85.125 flat angles C4'-P-C4' energy: -98.962 flat angles P-C4'-P energy: -59.728 tors. eta vs tors. theta energy: -108.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -1328.652603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.652603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.652603 (E_RNA) where: Base-Base interactions energy: -927.027 where: short stacking energy: -399.319 Base-Backbone interact. energy: -0.589 local terms energy: -401.036170 where: bonds (distance) C4'-P energy: -70.979 bonds (distance) P-C4' energy: -77.166 flat angles C4'-P-C4' energy: -94.257 flat angles P-C4'-P energy: -53.929 tors. eta vs tors. theta energy: -104.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -1205.871646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.871646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.871646 (E_RNA) where: Base-Base interactions energy: -816.375 where: short stacking energy: -349.125 Base-Backbone interact. energy: -0.274 local terms energy: -389.222985 where: bonds (distance) C4'-P energy: -63.792 bonds (distance) P-C4' energy: -80.876 flat angles C4'-P-C4' energy: -97.713 flat angles P-C4'-P energy: -60.070 tors. eta vs tors. theta energy: -86.773 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: 10 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -764.148855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.148855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.148855 (E_RNA) where: Base-Base interactions energy: -464.058 where: short stacking energy: -211.433 Base-Backbone interact. energy: -1.933 local terms energy: -298.157613 where: bonds (distance) C4'-P energy: -101.175 bonds (distance) P-C4' energy: -85.289 flat angles C4'-P-C4' energy: -59.623 flat angles P-C4'-P energy: -41.373 tors. eta vs tors. theta energy: -10.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -621.677401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.677401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.677401 (E_RNA) where: Base-Base interactions energy: -352.476 where: short stacking energy: -185.001 Base-Backbone interact. energy: -1.523 local terms energy: -267.678940 where: bonds (distance) C4'-P energy: -79.562 bonds (distance) P-C4' energy: -84.208 flat angles C4'-P-C4' energy: -83.549 flat angles P-C4'-P energy: -26.138 tors. eta vs tors. theta energy: 5.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1809.254916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.254916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.254916 (E_RNA) where: Base-Base interactions energy: -1277.850 where: short stacking energy: -529.963 Base-Backbone interact. energy: 0.989 local terms energy: -532.394240 where: bonds (distance) C4'-P energy: -105.180 bonds (distance) P-C4' energy: -95.794 flat angles C4'-P-C4' energy: -102.901 flat angles P-C4'-P energy: -82.166 tors. eta vs tors. theta energy: -146.353 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: 6 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1761.305354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.305354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.305354 (E_RNA) where: Base-Base interactions energy: -1230.187 where: short stacking energy: -527.839 Base-Backbone interact. energy: -1.164 local terms energy: -529.955138 where: bonds (distance) C4'-P energy: -92.733 bonds (distance) P-C4' energy: -102.724 flat angles C4'-P-C4' energy: -107.537 flat angles P-C4'-P energy: -79.339 tors. eta vs tors. theta energy: -147.622 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: 3, replica: 7 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -1644.285805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.285805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.285805 (E_RNA) where: Base-Base interactions energy: -1149.624 where: short stacking energy: -480.629 Base-Backbone interact. energy: -1.631 local terms energy: -493.031613 where: bonds (distance) C4'-P energy: -89.180 bonds (distance) P-C4' energy: -102.027 flat angles C4'-P-C4' energy: -107.638 flat angles P-C4'-P energy: -65.252 tors. eta vs tors. theta energy: -128.935 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: 9 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -1590.823652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.823652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.823652 (E_RNA) where: Base-Base interactions energy: -1116.741 where: short stacking energy: -493.532 Base-Backbone interact. energy: 2.411 local terms energy: -476.493634 where: bonds (distance) C4'-P energy: -83.344 bonds (distance) P-C4' energy: -90.389 flat angles C4'-P-C4' energy: -104.412 flat angles P-C4'-P energy: -72.767 tors. eta vs tors. theta energy: -125.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -1500.716338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.716338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.716338 (E_RNA) where: Base-Base interactions energy: -1052.585 where: short stacking energy: -455.928 Base-Backbone interact. energy: 0.465 local terms energy: -448.596619 where: bonds (distance) C4'-P energy: -68.704 bonds (distance) P-C4' energy: -96.777 flat angles C4'-P-C4' energy: -105.873 flat angles P-C4'-P energy: -56.254 tors. eta vs tors. theta energy: -120.988 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: 6, replica: 3 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -1354.884925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.884925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.884925 (E_RNA) where: Base-Base interactions energy: -915.803 where: short stacking energy: -414.556 Base-Backbone interact. energy: -0.488 local terms energy: -438.593886 where: bonds (distance) C4'-P energy: -67.989 bonds (distance) P-C4' energy: -90.793 flat angles C4'-P-C4' energy: -97.324 flat angles P-C4'-P energy: -79.218 tors. eta vs tors. theta energy: -103.271 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: 4 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -1347.164953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.164953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.164953 (E_RNA) where: Base-Base interactions energy: -938.037 where: short stacking energy: -387.712 Base-Backbone interact. energy: 1.441 local terms energy: -410.568624 where: bonds (distance) C4'-P energy: -72.866 bonds (distance) P-C4' energy: -90.235 flat angles C4'-P-C4' energy: -82.817 flat angles P-C4'-P energy: -63.388 tors. eta vs tors. theta energy: -101.263 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: 8, replica: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -1170.285827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.285827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.285827 (E_RNA) where: Base-Base interactions energy: -791.985 where: short stacking energy: -333.351 Base-Backbone interact. energy: -2.666 local terms energy: -375.635055 where: bonds (distance) C4'-P energy: -84.096 bonds (distance) P-C4' energy: -83.149 flat angles C4'-P-C4' energy: -86.615 flat angles P-C4'-P energy: -55.573 tors. eta vs tors. theta energy: -66.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -823.203541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.203541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.203541 (E_RNA) where: Base-Base interactions energy: -507.244 where: short stacking energy: -243.837 Base-Backbone interact. energy: -0.162 local terms energy: -315.796953 where: bonds (distance) C4'-P energy: -70.744 bonds (distance) P-C4' energy: -82.951 flat angles C4'-P-C4' energy: -69.607 flat angles P-C4'-P energy: -50.059 tors. eta vs tors. theta energy: -42.436 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: 2 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -635.007406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.007406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.007406 (E_RNA) where: Base-Base interactions energy: -358.126 where: short stacking energy: -188.990 Base-Backbone interact. energy: -2.475 local terms energy: -274.406698 where: bonds (distance) C4'-P energy: -67.730 bonds (distance) P-C4' energy: -91.101 flat angles C4'-P-C4' energy: -82.097 flat angles P-C4'-P energy: -22.753 tors. eta vs tors. theta energy: -10.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1827.551003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.551003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.551003 (E_RNA) where: Base-Base interactions energy: -1305.153 where: short stacking energy: -522.916 Base-Backbone interact. energy: -1.293 local terms energy: -521.105245 where: bonds (distance) C4'-P energy: -96.167 bonds (distance) P-C4' energy: -95.233 flat angles C4'-P-C4' energy: -110.198 flat angles P-C4'-P energy: -73.887 tors. eta vs tors. theta energy: -145.621 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: 6 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1801.600633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.600633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.600633 (E_RNA) where: Base-Base interactions energy: -1268.428 where: short stacking energy: -552.696 Base-Backbone interact. energy: -2.190 local terms energy: -530.982449 where: bonds (distance) C4'-P energy: -99.759 bonds (distance) P-C4' energy: -87.301 flat angles C4'-P-C4' energy: -107.271 flat angles P-C4'-P energy: -80.518 tors. eta vs tors. theta energy: -156.133 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: 7 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -1653.310899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.310899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.310899 (E_RNA) where: Base-Base interactions energy: -1157.792 where: short stacking energy: -463.244 Base-Backbone interact. energy: -3.663 local terms energy: -491.855725 where: bonds (distance) C4'-P energy: -91.147 bonds (distance) P-C4' energy: -101.485 flat angles C4'-P-C4' energy: -109.187 flat angles P-C4'-P energy: -67.577 tors. eta vs tors. theta energy: -122.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -1556.743899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.743899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.743899 (E_RNA) where: Base-Base interactions energy: -1087.352 where: short stacking energy: -480.519 Base-Backbone interact. energy: -0.534 local terms energy: -468.857627 where: bonds (distance) C4'-P energy: -80.837 bonds (distance) P-C4' energy: -76.175 flat angles C4'-P-C4' energy: -112.288 flat angles P-C4'-P energy: -70.190 tors. eta vs tors. theta energy: -129.368 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: 145 Temperature: 1.100000 Total energy: -1496.870491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.870491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.870491 (E_RNA) where: Base-Base interactions energy: -1053.587 where: short stacking energy: -427.249 Base-Backbone interact. energy: -0.250 local terms energy: -443.032873 where: bonds (distance) C4'-P energy: -78.627 bonds (distance) P-C4' energy: -98.278 flat angles C4'-P-C4' energy: -95.425 flat angles P-C4'-P energy: -59.835 tors. eta vs tors. theta energy: -110.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -1381.376204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.376204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.376204 (E_RNA) where: Base-Base interactions energy: -936.122 where: short stacking energy: -439.378 Base-Backbone interact. energy: -3.642 local terms energy: -441.612406 where: bonds (distance) C4'-P energy: -91.364 bonds (distance) P-C4' energy: -92.579 flat angles C4'-P-C4' energy: -91.688 flat angles P-C4'-P energy: -47.775 tors. eta vs tors. theta energy: -118.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -1325.732900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.732900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.732900 (E_RNA) where: Base-Base interactions energy: -882.166 where: short stacking energy: -406.578 Base-Backbone interact. energy: -0.954 local terms energy: -442.613036 where: bonds (distance) C4'-P energy: -86.215 bonds (distance) P-C4' energy: -86.926 flat angles C4'-P-C4' energy: -100.626 flat angles P-C4'-P energy: -65.951 tors. eta vs tors. theta energy: -102.894 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: 145 Temperature: 1.250000 Total energy: -1173.788257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.788257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.788257 (E_RNA) where: Base-Base interactions energy: -782.830 where: short stacking energy: -335.369 Base-Backbone interact. energy: 0.281 local terms energy: -391.239295 where: bonds (distance) C4'-P energy: -82.890 bonds (distance) P-C4' energy: -83.562 flat angles C4'-P-C4' energy: -92.169 flat angles P-C4'-P energy: -58.372 tors. eta vs tors. theta energy: -74.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -848.119153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.119153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.119153 (E_RNA) where: Base-Base interactions energy: -534.152 where: short stacking energy: -269.949 Base-Backbone interact. energy: -3.330 local terms energy: -310.636941 where: bonds (distance) C4'-P energy: -80.230 bonds (distance) P-C4' energy: -92.735 flat angles C4'-P-C4' energy: -62.870 flat angles P-C4'-P energy: -38.234 tors. eta vs tors. theta energy: -36.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -637.020150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.020150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.020150 (E_RNA) where: Base-Base interactions energy: -368.902 where: short stacking energy: -172.290 Base-Backbone interact. energy: 3.682 local terms energy: -271.799783 where: bonds (distance) C4'-P energy: -84.866 bonds (distance) P-C4' energy: -81.210 flat angles C4'-P-C4' energy: -60.984 flat angles P-C4'-P energy: -40.065 tors. eta vs tors. theta energy: -4.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1810.889097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1810.889097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1810.889097 (E_RNA) where: Base-Base interactions energy: -1289.970 where: short stacking energy: -526.774 Base-Backbone interact. energy: -0.601 local terms energy: -520.317723 where: bonds (distance) C4'-P energy: -91.245 bonds (distance) P-C4' energy: -93.299 flat angles C4'-P-C4' energy: -113.416 flat angles P-C4'-P energy: -77.339 tors. eta vs tors. theta energy: -145.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1784.008637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.008637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.008637 (E_RNA) where: Base-Base interactions energy: -1255.565 where: short stacking energy: -544.168 Base-Backbone interact. energy: -2.235 local terms energy: -526.208709 where: bonds (distance) C4'-P energy: -95.939 bonds (distance) P-C4' energy: -96.100 flat angles C4'-P-C4' energy: -101.540 flat angles P-C4'-P energy: -77.012 tors. eta vs tors. theta energy: -155.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -1645.174260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.174260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.174260 (E_RNA) where: Base-Base interactions energy: -1158.929 where: short stacking energy: -480.925 Base-Backbone interact. energy: 0.500 local terms energy: -486.745045 where: bonds (distance) C4'-P energy: -95.408 bonds (distance) P-C4' energy: -93.314 flat angles C4'-P-C4' energy: -106.467 flat angles P-C4'-P energy: -69.931 tors. eta vs tors. theta energy: -121.626 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: 146 Temperature: 1.050000 Total energy: -1577.672622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.672622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.672622 (E_RNA) where: Base-Base interactions energy: -1090.461 where: short stacking energy: -455.274 Base-Backbone interact. energy: -2.147 local terms energy: -485.064680 where: bonds (distance) C4'-P energy: -95.614 bonds (distance) P-C4' energy: -99.065 flat angles C4'-P-C4' energy: -105.200 flat angles P-C4'-P energy: -62.463 tors. eta vs tors. theta energy: -122.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -1474.478627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.478627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.478627 (E_RNA) where: Base-Base interactions energy: -1036.767 where: short stacking energy: -447.746 Base-Backbone interact. energy: -1.195 local terms energy: -436.516657 where: bonds (distance) C4'-P energy: -87.220 bonds (distance) P-C4' energy: -83.936 flat angles C4'-P-C4' energy: -87.210 flat angles P-C4'-P energy: -67.702 tors. eta vs tors. theta energy: -110.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -1397.558623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.558623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.558623 (E_RNA) where: Base-Base interactions energy: -954.272 where: short stacking energy: -422.885 Base-Backbone interact. energy: 0.696 local terms energy: -443.982772 where: bonds (distance) C4'-P energy: -98.853 bonds (distance) P-C4' energy: -85.346 flat angles C4'-P-C4' energy: -87.847 flat angles P-C4'-P energy: -59.804 tors. eta vs tors. theta energy: -112.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -1356.114169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.114169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.114169 (E_RNA) where: Base-Base interactions energy: -936.810 where: short stacking energy: -443.021 Base-Backbone interact. energy: -3.051 local terms energy: -416.252886 where: bonds (distance) C4'-P energy: -87.220 bonds (distance) P-C4' energy: -68.677 flat angles C4'-P-C4' energy: -89.185 flat angles P-C4'-P energy: -55.984 tors. eta vs tors. theta energy: -115.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -1227.351086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.351086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.351086 (E_RNA) where: Base-Base interactions energy: -861.277 where: short stacking energy: -382.309 Base-Backbone interact. energy: -2.186 local terms energy: -363.887655 where: bonds (distance) C4'-P energy: -67.809 bonds (distance) P-C4' energy: -81.856 flat angles C4'-P-C4' energy: -78.044 flat angles P-C4'-P energy: -47.229 tors. eta vs tors. theta energy: -88.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -808.781909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.781909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.781909 (E_RNA) where: Base-Base interactions energy: -492.026 where: short stacking energy: -229.978 Base-Backbone interact. energy: 2.814 local terms energy: -319.569339 where: bonds (distance) C4'-P energy: -80.862 bonds (distance) P-C4' energy: -87.265 flat angles C4'-P-C4' energy: -82.537 flat angles P-C4'-P energy: -37.656 tors. eta vs tors. theta energy: -31.250 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: 2 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -757.544595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.544595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.544595 (E_RNA) where: Base-Base interactions energy: -447.315 where: short stacking energy: -231.519 Base-Backbone interact. energy: -2.344 local terms energy: -307.885580 where: bonds (distance) C4'-P energy: -70.054 bonds (distance) P-C4' energy: -80.584 flat angles C4'-P-C4' energy: -75.254 flat angles P-C4'-P energy: -34.678 tors. eta vs tors. theta energy: -47.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1789.843558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.843558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.843558 (E_RNA) where: Base-Base interactions energy: -1260.875 where: short stacking energy: -530.867 Base-Backbone interact. energy: -1.529 local terms energy: -527.439642 where: bonds (distance) C4'-P energy: -94.628 bonds (distance) P-C4' energy: -98.077 flat angles C4'-P-C4' energy: -105.605 flat angles P-C4'-P energy: -85.366 tors. eta vs tors. theta energy: -143.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1799.399540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.399540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.399540 (E_RNA) where: Base-Base interactions energy: -1264.170 where: short stacking energy: -537.012 Base-Backbone interact. energy: -2.567 local terms energy: -532.662030 where: bonds (distance) C4'-P energy: -103.804 bonds (distance) P-C4' energy: -91.548 flat angles C4'-P-C4' energy: -108.548 flat angles P-C4'-P energy: -76.417 tors. eta vs tors. theta energy: -152.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1637.121886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.121886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.121886 (E_RNA) where: Base-Base interactions energy: -1162.407 where: short stacking energy: -491.134 Base-Backbone interact. energy: -3.776 local terms energy: -470.939448 where: bonds (distance) C4'-P energy: -87.873 bonds (distance) P-C4' energy: -88.634 flat angles C4'-P-C4' energy: -101.023 flat angles P-C4'-P energy: -67.008 tors. eta vs tors. theta energy: -126.401 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: 9 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -1553.986624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.986624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.986624 (E_RNA) where: Base-Base interactions energy: -1065.832 where: short stacking energy: -453.686 Base-Backbone interact. energy: -0.407 local terms energy: -487.747870 where: bonds (distance) C4'-P energy: -86.269 bonds (distance) P-C4' energy: -92.434 flat angles C4'-P-C4' energy: -104.769 flat angles P-C4'-P energy: -75.181 tors. eta vs tors. theta energy: -129.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -1440.337420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.337420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.337420 (E_RNA) where: Base-Base interactions energy: -1003.614 where: short stacking energy: -419.396 Base-Backbone interact. energy: -1.867 local terms energy: -434.856288 where: bonds (distance) C4'-P energy: -92.510 bonds (distance) P-C4' energy: -67.916 flat angles C4'-P-C4' energy: -97.501 flat angles P-C4'-P energy: -71.861 tors. eta vs tors. theta energy: -105.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -1419.893120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.893120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.893120 (E_RNA) where: Base-Base interactions energy: -977.360 where: short stacking energy: -427.389 Base-Backbone interact. energy: -0.510 local terms energy: -442.022836 where: bonds (distance) C4'-P energy: -73.942 bonds (distance) P-C4' energy: -85.124 flat angles C4'-P-C4' energy: -91.495 flat angles P-C4'-P energy: -63.942 tors. eta vs tors. theta energy: -127.520 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: 3 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -1311.597061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.597061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.597061 (E_RNA) where: Base-Base interactions energy: -881.491 where: short stacking energy: -394.483 Base-Backbone interact. energy: -1.759 local terms energy: -428.347173 where: bonds (distance) C4'-P energy: -74.344 bonds (distance) P-C4' energy: -85.889 flat angles C4'-P-C4' energy: -96.419 flat angles P-C4'-P energy: -71.484 tors. eta vs tors. theta energy: -100.211 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: 8 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -1233.640533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.640533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.640533 (E_RNA) where: Base-Base interactions energy: -850.564 where: short stacking energy: -358.654 Base-Backbone interact. energy: -0.461 local terms energy: -382.615025 where: bonds (distance) C4'-P energy: -87.140 bonds (distance) P-C4' energy: -82.782 flat angles C4'-P-C4' energy: -92.239 flat angles P-C4'-P energy: -29.927 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: 9, replica: 10 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -768.922323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.922323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.922323 (E_RNA) where: Base-Base interactions energy: -435.698 where: short stacking energy: -213.214 Base-Backbone interact. energy: -1.575 local terms energy: -331.649319 where: bonds (distance) C4'-P energy: -90.710 bonds (distance) P-C4' energy: -82.865 flat angles C4'-P-C4' energy: -78.181 flat angles P-C4'-P energy: -50.796 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: 2 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -704.130448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.130448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.130448 (E_RNA) where: Base-Base interactions energy: -417.689 where: short stacking energy: -201.476 Base-Backbone interact. energy: -1.877 local terms energy: -284.564166 where: bonds (distance) C4'-P energy: -77.267 bonds (distance) P-C4' energy: -75.516 flat angles C4'-P-C4' energy: -58.653 flat angles P-C4'-P energy: -49.003 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: 6 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1830.358976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1830.358976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1830.358976 (E_RNA) where: Base-Base interactions energy: -1290.227 where: short stacking energy: -549.415 Base-Backbone interact. energy: -0.386 local terms energy: -539.745712 where: bonds (distance) C4'-P energy: -104.449 bonds (distance) P-C4' energy: -83.623 flat angles C4'-P-C4' energy: -113.214 flat angles P-C4'-P energy: -77.999 tors. eta vs tors. theta energy: -160.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1751.404289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.404289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.404289 (E_RNA) where: Base-Base interactions energy: -1233.778 where: short stacking energy: -499.657 Base-Backbone interact. energy: -2.005 local terms energy: -515.621328 where: bonds (distance) C4'-P energy: -98.341 bonds (distance) P-C4' energy: -87.828 flat angles C4'-P-C4' energy: -108.211 flat angles P-C4'-P energy: -80.926 tors. eta vs tors. theta energy: -140.316 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: 3, replica: 7 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -1615.039404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.039404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.039404 (E_RNA) where: Base-Base interactions energy: -1137.445 where: short stacking energy: -479.024 Base-Backbone interact. energy: -2.128 local terms energy: -475.465575 where: bonds (distance) C4'-P energy: -91.100 bonds (distance) P-C4' energy: -89.417 flat angles C4'-P-C4' energy: -106.046 flat angles P-C4'-P energy: -60.488 tors. eta vs tors. theta energy: -128.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1567.667512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.667512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.667512 (E_RNA) where: Base-Base interactions energy: -1082.545 where: short stacking energy: -461.373 Base-Backbone interact. energy: 0.820 local terms energy: -485.942604 where: bonds (distance) C4'-P energy: -88.185 bonds (distance) P-C4' energy: -93.262 flat angles C4'-P-C4' energy: -106.513 flat angles P-C4'-P energy: -72.818 tors. eta vs tors. theta energy: -125.164 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: 4 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -1497.297892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.297892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.297892 (E_RNA) where: Base-Base interactions energy: -1033.539 where: short stacking energy: -452.000 Base-Backbone interact. energy: -2.322 local terms energy: -461.436707 where: bonds (distance) C4'-P energy: -93.745 bonds (distance) P-C4' energy: -87.509 flat angles C4'-P-C4' energy: -96.326 flat angles P-C4'-P energy: -66.440 tors. eta vs tors. theta energy: -117.417 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: 1 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -1409.257684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.257684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.257684 (E_RNA) where: Base-Base interactions energy: -965.750 where: short stacking energy: -428.850 Base-Backbone interact. energy: -2.518 local terms energy: -440.989610 where: bonds (distance) C4'-P energy: -83.698 bonds (distance) P-C4' energy: -94.363 flat angles C4'-P-C4' energy: -87.945 flat angles P-C4'-P energy: -56.192 tors. eta vs tors. theta energy: -118.792 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: 3 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -1322.066542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.066542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.066542 (E_RNA) where: Base-Base interactions energy: -896.024 where: short stacking energy: -377.190 Base-Backbone interact. energy: -0.615 local terms energy: -425.426987 where: bonds (distance) C4'-P energy: -88.627 bonds (distance) P-C4' energy: -80.326 flat angles C4'-P-C4' energy: -95.840 flat angles P-C4'-P energy: -55.489 tors. eta vs tors. theta energy: -105.145 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: 148 Temperature: 1.250000 Total energy: -1250.631533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.631533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.631533 (E_RNA) where: Base-Base interactions energy: -855.968 where: short stacking energy: -352.594 Base-Backbone interact. energy: -2.443 local terms energy: -392.220354 where: bonds (distance) C4'-P energy: -85.575 bonds (distance) P-C4' energy: -86.039 flat angles C4'-P-C4' energy: -82.309 flat angles P-C4'-P energy: -57.754 tors. eta vs tors. theta energy: -80.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -724.375217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.375217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.375217 (E_RNA) where: Base-Base interactions energy: -441.332 where: short stacking energy: -230.649 Base-Backbone interact. energy: -1.338 local terms energy: -281.705869 where: bonds (distance) C4'-P energy: -81.422 bonds (distance) P-C4' energy: -70.386 flat angles C4'-P-C4' energy: -70.734 flat angles P-C4'-P energy: -40.529 tors. eta vs tors. theta energy: -18.634 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: 2 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -652.411917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.411917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.411917 (E_RNA) where: Base-Base interactions energy: -356.008 where: short stacking energy: -196.282 Base-Backbone interact. energy: -1.233 local terms energy: -295.170910 where: bonds (distance) C4'-P energy: -90.337 bonds (distance) P-C4' energy: -83.362 flat angles C4'-P-C4' energy: -74.903 flat angles P-C4'-P energy: -26.895 tors. eta vs tors. theta energy: -19.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1818.961709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1818.961709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1818.961709 (E_RNA) where: Base-Base interactions energy: -1286.350 where: short stacking energy: -535.206 Base-Backbone interact. energy: -1.331 local terms energy: -531.281157 where: bonds (distance) C4'-P energy: -89.612 bonds (distance) P-C4' energy: -93.434 flat angles C4'-P-C4' energy: -115.202 flat angles P-C4'-P energy: -85.585 tors. eta vs tors. theta energy: -147.447 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: 5 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1757.048094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.048094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.048094 (E_RNA) where: Base-Base interactions energy: -1232.394 where: short stacking energy: -501.045 Base-Backbone interact. energy: -3.235 local terms energy: -521.419190 where: bonds (distance) C4'-P energy: -81.377 bonds (distance) P-C4' energy: -109.452 flat angles C4'-P-C4' energy: -113.223 flat angles P-C4'-P energy: -79.061 tors. eta vs tors. theta energy: -138.306 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: 7 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -1622.080908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.080908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.080908 (E_RNA) where: Base-Base interactions energy: -1128.888 where: short stacking energy: -475.566 Base-Backbone interact. energy: -3.829 local terms energy: -489.363711 where: bonds (distance) C4'-P energy: -89.214 bonds (distance) P-C4' energy: -97.955 flat angles C4'-P-C4' energy: -102.395 flat angles P-C4'-P energy: -81.142 tors. eta vs tors. theta energy: -118.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -1524.656217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.656217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.656217 (E_RNA) where: Base-Base interactions energy: -1042.483 where: short stacking energy: -445.763 Base-Backbone interact. energy: -2.404 local terms energy: -479.769787 where: bonds (distance) C4'-P energy: -88.941 bonds (distance) P-C4' energy: -84.043 flat angles C4'-P-C4' energy: -117.832 flat angles P-C4'-P energy: -67.356 tors. eta vs tors. theta energy: -121.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -1482.664313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.664313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.664313 (E_RNA) where: Base-Base interactions energy: -1015.014 where: short stacking energy: -453.446 Base-Backbone interact. energy: -1.997 local terms energy: -465.653787 where: bonds (distance) C4'-P energy: -83.802 bonds (distance) P-C4' energy: -89.940 flat angles C4'-P-C4' energy: -101.959 flat angles P-C4'-P energy: -58.264 tors. eta vs tors. theta energy: -131.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -1349.783972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.783972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.783972 (E_RNA) where: Base-Base interactions energy: -933.203 where: short stacking energy: -431.200 Base-Backbone interact. energy: -1.101 local terms energy: -415.479117 where: bonds (distance) C4'-P energy: -79.251 bonds (distance) P-C4' energy: -72.880 flat angles C4'-P-C4' energy: -102.417 flat angles P-C4'-P energy: -62.596 tors. eta vs tors. theta energy: -98.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -1316.588629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.588629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.588629 (E_RNA) where: Base-Base interactions energy: -886.798 where: short stacking energy: -388.764 Base-Backbone interact. energy: -1.178 local terms energy: -428.612083 where: bonds (distance) C4'-P energy: -92.773 bonds (distance) P-C4' energy: -94.020 flat angles C4'-P-C4' energy: -91.500 flat angles P-C4'-P energy: -46.558 tors. eta vs tors. theta energy: -103.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -1172.103053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.103053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.103053 (E_RNA) where: Base-Base interactions energy: -785.987 where: short stacking energy: -339.909 Base-Backbone interact. energy: -3.631 local terms energy: -382.484439 where: bonds (distance) C4'-P energy: -77.818 bonds (distance) P-C4' energy: -85.041 flat angles C4'-P-C4' energy: -82.923 flat angles P-C4'-P energy: -54.559 tors. eta vs tors. theta energy: -82.144 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: 9, replica: 10 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -763.076499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.076499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.076499 (E_RNA) where: Base-Base interactions energy: -446.823 where: short stacking energy: -221.531 Base-Backbone interact. energy: 4.368 local terms energy: -320.622058 where: bonds (distance) C4'-P energy: -74.648 bonds (distance) P-C4' energy: -89.213 flat angles C4'-P-C4' energy: -82.082 flat angles P-C4'-P energy: -51.101 tors. eta vs tors. theta energy: -23.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -648.955516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.955516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.955516 (E_RNA) where: Base-Base interactions energy: -366.421 where: short stacking energy: -197.208 Base-Backbone interact. energy: -0.647 local terms energy: -281.887034 where: bonds (distance) C4'-P energy: -76.570 bonds (distance) P-C4' energy: -78.560 flat angles C4'-P-C4' energy: -68.171 flat angles P-C4'-P energy: -49.354 tors. eta vs tors. theta energy: -9.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1837.909094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.909094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.909094 (E_RNA) where: Base-Base interactions energy: -1293.918 where: short stacking energy: -556.822 Base-Backbone interact. energy: -2.222 local terms energy: -541.769584 where: bonds (distance) C4'-P energy: -106.199 bonds (distance) P-C4' energy: -97.911 flat angles C4'-P-C4' energy: -111.821 flat angles P-C4'-P energy: -71.476 tors. eta vs tors. theta energy: -154.363 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: 2, replica: 5 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1752.977439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.977439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.977439 (E_RNA) where: Base-Base interactions energy: -1231.211 where: short stacking energy: -520.571 Base-Backbone interact. energy: -2.856 local terms energy: -518.909879 where: bonds (distance) C4'-P energy: -91.053 bonds (distance) P-C4' energy: -94.423 flat angles C4'-P-C4' energy: -107.526 flat angles P-C4'-P energy: -76.395 tors. eta vs tors. theta energy: -149.513 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: 7 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -1636.886936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.886936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.886936 (E_RNA) where: Base-Base interactions energy: -1145.396 where: short stacking energy: -468.200 Base-Backbone interact. energy: -2.596 local terms energy: -488.895310 where: bonds (distance) C4'-P energy: -92.464 bonds (distance) P-C4' energy: -91.315 flat angles C4'-P-C4' energy: -103.287 flat angles P-C4'-P energy: -72.265 tors. eta vs tors. theta energy: -129.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -1543.326363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.326363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.326363 (E_RNA) where: Base-Base interactions energy: -1054.294 where: short stacking energy: -449.913 Base-Backbone interact. energy: -1.849 local terms energy: -487.183569 where: bonds (distance) C4'-P energy: -91.588 bonds (distance) P-C4' energy: -86.367 flat angles C4'-P-C4' energy: -104.537 flat angles P-C4'-P energy: -75.062 tors. eta vs tors. theta energy: -129.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -1512.337398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.337398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.337398 (E_RNA) where: Base-Base interactions energy: -1016.939 where: short stacking energy: -466.675 Base-Backbone interact. energy: 1.021 local terms energy: -496.419525 where: bonds (distance) C4'-P energy: -103.621 bonds (distance) P-C4' energy: -99.318 flat angles C4'-P-C4' energy: -105.726 flat angles P-C4'-P energy: -60.726 tors. eta vs tors. theta energy: -127.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -1342.768304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.768304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.768304 (E_RNA) where: Base-Base interactions energy: -923.603 where: short stacking energy: -435.791 Base-Backbone interact. energy: 0.928 local terms energy: -420.092977 where: bonds (distance) C4'-P energy: -88.709 bonds (distance) P-C4' energy: -86.604 flat angles C4'-P-C4' energy: -90.482 flat angles P-C4'-P energy: -45.427 tors. eta vs tors. theta energy: -108.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -1244.502637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.502637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.502637 (E_RNA) where: Base-Base interactions energy: -835.234 where: short stacking energy: -378.248 Base-Backbone interact. energy: 0.531 local terms energy: -409.799074 where: bonds (distance) C4'-P energy: -80.104 bonds (distance) P-C4' energy: -90.594 flat angles C4'-P-C4' energy: -78.673 flat angles P-C4'-P energy: -62.497 tors. eta vs tors. theta energy: -97.931 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: 8 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -1226.239458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.239458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.239458 (E_RNA) where: Base-Base interactions energy: -818.675 where: short stacking energy: -371.871 Base-Backbone interact. energy: -3.140 local terms energy: -404.424951 where: bonds (distance) C4'-P energy: -70.814 bonds (distance) P-C4' energy: -84.363 flat angles C4'-P-C4' energy: -98.343 flat angles P-C4'-P energy: -57.521 tors. eta vs tors. theta energy: -93.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -784.684389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.684389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.684389 (E_RNA) where: Base-Base interactions energy: -487.493 where: short stacking energy: -238.433 Base-Backbone interact. energy: 0.217 local terms energy: -297.408197 where: bonds (distance) C4'-P energy: -76.176 bonds (distance) P-C4' energy: -66.227 flat angles C4'-P-C4' energy: -84.207 flat angles P-C4'-P energy: -39.215 tors. eta vs tors. theta energy: -31.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -612.590012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.590012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.590012 (E_RNA) where: Base-Base interactions energy: -342.523 where: short stacking energy: -187.519 Base-Backbone interact. energy: -0.760 local terms energy: -269.307721 where: bonds (distance) C4'-P energy: -78.831 bonds (distance) P-C4' energy: -65.178 flat angles C4'-P-C4' energy: -62.013 flat angles P-C4'-P energy: -51.964 tors. eta vs tors. theta energy: -11.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1816.571994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.571994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.571994 (E_RNA) where: Base-Base interactions energy: -1275.158 where: short stacking energy: -530.882 Base-Backbone interact. energy: -1.817 local terms energy: -539.596869 where: bonds (distance) C4'-P energy: -97.950 bonds (distance) P-C4' energy: -91.362 flat angles C4'-P-C4' energy: -121.099 flat angles P-C4'-P energy: -75.721 tors. eta vs tors. theta energy: -153.465 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: 151 Temperature: 0.950000 Total energy: -1738.763972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.763972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.763972 (E_RNA) where: Base-Base interactions energy: -1223.453 where: short stacking energy: -528.454 Base-Backbone interact. energy: -2.540 local terms energy: -512.770735 where: bonds (distance) C4'-P energy: -95.118 bonds (distance) P-C4' energy: -93.520 flat angles C4'-P-C4' energy: -102.456 flat angles P-C4'-P energy: -80.196 tors. eta vs tors. theta energy: -141.481 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: 3, replica: 7 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -1638.753434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.753434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.753434 (E_RNA) where: Base-Base interactions energy: -1152.238 where: short stacking energy: -480.937 Base-Backbone interact. energy: -2.247 local terms energy: -484.268439 where: bonds (distance) C4'-P energy: -90.498 bonds (distance) P-C4' energy: -87.167 flat angles C4'-P-C4' energy: -115.745 flat angles P-C4'-P energy: -63.348 tors. eta vs tors. theta energy: -127.511 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: 4, replica: 9 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -1561.636877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.636877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.636877 (E_RNA) where: Base-Base interactions energy: -1090.122 where: short stacking energy: -475.513 Base-Backbone interact. energy: -2.406 local terms energy: -469.108639 where: bonds (distance) C4'-P energy: -77.007 bonds (distance) P-C4' energy: -94.547 flat angles C4'-P-C4' energy: -102.028 flat angles P-C4'-P energy: -66.380 tors. eta vs tors. theta energy: -129.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -1454.447476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.447476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.447476 (E_RNA) where: Base-Base interactions energy: -1015.839 where: short stacking energy: -451.323 Base-Backbone interact. energy: -0.520 local terms energy: -438.088118 where: bonds (distance) C4'-P energy: -74.511 bonds (distance) P-C4' energy: -78.873 flat angles C4'-P-C4' energy: -93.888 flat angles P-C4'-P energy: -65.289 tors. eta vs tors. theta energy: -125.528 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: 1 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -1351.165684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.165684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.165684 (E_RNA) where: Base-Base interactions energy: -927.472 where: short stacking energy: -411.504 Base-Backbone interact. energy: 3.606 local terms energy: -427.299645 where: bonds (distance) C4'-P energy: -88.893 bonds (distance) P-C4' energy: -79.906 flat angles C4'-P-C4' energy: -99.794 flat angles P-C4'-P energy: -60.492 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: 7, replica: 3 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -1295.480918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.480918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.480918 (E_RNA) where: Base-Base interactions energy: -875.944 where: short stacking energy: -341.910 Base-Backbone interact. energy: -0.688 local terms energy: -418.849059 where: bonds (distance) C4'-P energy: -87.627 bonds (distance) P-C4' energy: -89.156 flat angles C4'-P-C4' energy: -85.474 flat angles P-C4'-P energy: -62.480 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: 8, replica: 8 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -1214.879218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.879218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.879218 (E_RNA) where: Base-Base interactions energy: -825.031 where: short stacking energy: -375.322 Base-Backbone interact. energy: -2.129 local terms energy: -387.719376 where: bonds (distance) C4'-P energy: -79.644 bonds (distance) P-C4' energy: -85.950 flat angles C4'-P-C4' energy: -75.938 flat angles P-C4'-P energy: -53.948 tors. eta vs tors. theta energy: -92.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -803.787117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.787117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.787117 (E_RNA) where: Base-Base interactions energy: -507.950 where: short stacking energy: -260.203 Base-Backbone interact. energy: -2.452 local terms energy: -293.385631 where: bonds (distance) C4'-P energy: -69.021 bonds (distance) P-C4' energy: -81.450 flat angles C4'-P-C4' energy: -64.406 flat angles P-C4'-P energy: -37.457 tors. eta vs tors. theta energy: -41.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -559.514317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.514317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.514317 (E_RNA) where: Base-Base interactions energy: -289.276 where: short stacking energy: -175.248 Base-Backbone interact. energy: 5.385 local terms energy: -275.623572 where: bonds (distance) C4'-P energy: -75.842 bonds (distance) P-C4' energy: -84.955 flat angles C4'-P-C4' energy: -67.851 flat angles P-C4'-P energy: -50.160 tors. eta vs tors. theta energy: 3.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1838.319216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.319216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.319216 (E_RNA) where: Base-Base interactions energy: -1304.061 where: short stacking energy: -557.504 Base-Backbone interact. energy: -1.197 local terms energy: -533.060711 where: bonds (distance) C4'-P energy: -97.142 bonds (distance) P-C4' energy: -92.866 flat angles C4'-P-C4' energy: -117.125 flat angles P-C4'-P energy: -75.618 tors. eta vs tors. theta energy: -150.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1738.862777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.862777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.862777 (E_RNA) where: Base-Base interactions energy: -1232.600 where: short stacking energy: -525.140 Base-Backbone interact. energy: -1.352 local terms energy: -504.910513 where: bonds (distance) C4'-P energy: -87.576 bonds (distance) P-C4' energy: -97.737 flat angles C4'-P-C4' energy: -107.081 flat angles P-C4'-P energy: -73.777 tors. eta vs tors. theta energy: -138.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -1667.484475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.484475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.484475 (E_RNA) where: Base-Base interactions energy: -1151.377 where: short stacking energy: -510.974 Base-Backbone interact. energy: -1.243 local terms energy: -514.864492 where: bonds (distance) C4'-P energy: -86.494 bonds (distance) P-C4' energy: -106.930 flat angles C4'-P-C4' energy: -111.408 flat angles P-C4'-P energy: -70.621 tors. eta vs tors. theta energy: -139.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -1607.293533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.293533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.293533 (E_RNA) where: Base-Base interactions energy: -1105.345 where: short stacking energy: -475.130 Base-Backbone interact. energy: -3.335 local terms energy: -498.614065 where: bonds (distance) C4'-P energy: -87.022 bonds (distance) P-C4' energy: -88.839 flat angles C4'-P-C4' energy: -114.670 flat angles P-C4'-P energy: -80.564 tors. eta vs tors. theta energy: -127.519 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: 4 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -1439.272090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.272090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.272090 (E_RNA) where: Base-Base interactions energy: -987.302 where: short stacking energy: -443.431 Base-Backbone interact. energy: 1.507 local terms energy: -453.477164 where: bonds (distance) C4'-P energy: -81.117 bonds (distance) P-C4' energy: -87.545 flat angles C4'-P-C4' energy: -95.120 flat angles P-C4'-P energy: -58.896 tors. eta vs tors. theta energy: -130.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -1372.187489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.187489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.187489 (E_RNA) where: Base-Base interactions energy: -938.254 where: short stacking energy: -406.447 Base-Backbone interact. energy: -0.905 local terms energy: -433.029324 where: bonds (distance) C4'-P energy: -94.197 bonds (distance) P-C4' energy: -66.373 flat angles C4'-P-C4' energy: -98.463 flat angles P-C4'-P energy: -61.331 tors. eta vs tors. theta energy: -112.667 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: 7, replica: 3 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -1281.047118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.047118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.047118 (E_RNA) where: Base-Base interactions energy: -843.379 where: short stacking energy: -359.780 Base-Backbone interact. energy: -1.222 local terms energy: -436.446707 where: bonds (distance) C4'-P energy: -82.557 bonds (distance) P-C4' energy: -101.938 flat angles C4'-P-C4' energy: -95.038 flat angles P-C4'-P energy: -56.538 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: 8, replica: 8 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -1221.841954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.841954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.841954 (E_RNA) where: Base-Base interactions energy: -842.071 where: short stacking energy: -350.724 Base-Backbone interact. energy: -1.822 local terms energy: -377.948574 where: bonds (distance) C4'-P energy: -77.986 bonds (distance) P-C4' energy: -77.255 flat angles C4'-P-C4' energy: -85.452 flat angles P-C4'-P energy: -52.125 tors. eta vs tors. theta energy: -85.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -802.546199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.546199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.546199 (E_RNA) where: Base-Base interactions energy: -485.900 where: short stacking energy: -225.804 Base-Backbone interact. energy: 6.717 local terms energy: -323.362909 where: bonds (distance) C4'-P energy: -87.764 bonds (distance) P-C4' energy: -84.416 flat angles C4'-P-C4' energy: -84.045 flat angles P-C4'-P energy: -32.338 tors. eta vs tors. theta energy: -34.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -560.260562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.260562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.260562 (E_RNA) where: Base-Base interactions energy: -295.410 where: short stacking energy: -162.274 Base-Backbone interact. energy: -3.728 local terms energy: -261.122128 where: bonds (distance) C4'-P energy: -76.033 bonds (distance) P-C4' energy: -67.118 flat angles C4'-P-C4' energy: -67.393 flat angles P-C4'-P energy: -51.684 tors. eta vs tors. theta energy: 1.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1829.130514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.130514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.130514 (E_RNA) where: Base-Base interactions energy: -1293.240 where: short stacking energy: -550.659 Base-Backbone interact. energy: -1.690 local terms energy: -534.201123 where: bonds (distance) C4'-P energy: -97.574 bonds (distance) P-C4' energy: -92.064 flat angles C4'-P-C4' energy: -120.201 flat angles P-C4'-P energy: -76.205 tors. eta vs tors. theta energy: -148.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1733.370108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.370108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.370108 (E_RNA) where: Base-Base interactions energy: -1209.574 where: short stacking energy: -495.300 Base-Backbone interact. energy: -3.620 local terms energy: -520.175937 where: bonds (distance) C4'-P energy: -99.280 bonds (distance) P-C4' energy: -90.439 flat angles C4'-P-C4' energy: -105.751 flat angles P-C4'-P energy: -82.090 tors. eta vs tors. theta energy: -142.616 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: 3, replica: 9 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -1636.660268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.660268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.660268 (E_RNA) where: Base-Base interactions energy: -1133.190 where: short stacking energy: -478.868 Base-Backbone interact. energy: -2.042 local terms energy: -501.428711 where: bonds (distance) C4'-P energy: -99.112 bonds (distance) P-C4' energy: -91.111 flat angles C4'-P-C4' energy: -104.633 flat angles P-C4'-P energy: -66.766 tors. eta vs tors. theta energy: -139.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -1608.440820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.440820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.440820 (E_RNA) where: Base-Base interactions energy: -1124.089 where: short stacking energy: -451.701 Base-Backbone interact. energy: -1.743 local terms energy: -482.609045 where: bonds (distance) C4'-P energy: -85.191 bonds (distance) P-C4' energy: -85.830 flat angles C4'-P-C4' energy: -114.245 flat angles P-C4'-P energy: -72.631 tors. eta vs tors. theta energy: -124.712 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: 5, replica: 4 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -1434.988024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.988024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.988024 (E_RNA) where: Base-Base interactions energy: -978.421 where: short stacking energy: -421.420 Base-Backbone interact. energy: -3.053 local terms energy: -453.513991 where: bonds (distance) C4'-P energy: -80.286 bonds (distance) P-C4' energy: -92.667 flat angles C4'-P-C4' energy: -107.027 flat angles P-C4'-P energy: -62.212 tors. eta vs tors. theta energy: -111.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -1340.369505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.369505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.369505 (E_RNA) where: Base-Base interactions energy: -907.202 where: short stacking energy: -405.788 Base-Backbone interact. energy: -0.172 local terms energy: -432.995660 where: bonds (distance) C4'-P energy: -88.459 bonds (distance) P-C4' energy: -91.019 flat angles C4'-P-C4' energy: -100.663 flat angles P-C4'-P energy: -62.774 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: 7, replica: 3 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -1246.673564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.673564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.673564 (E_RNA) where: Base-Base interactions energy: -866.061 where: short stacking energy: -385.708 Base-Backbone interact. energy: 0.411 local terms energy: -381.023472 where: bonds (distance) C4'-P energy: -68.290 bonds (distance) P-C4' energy: -90.444 flat angles C4'-P-C4' energy: -82.325 flat angles P-C4'-P energy: -49.532 tors. eta vs tors. theta energy: -90.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -1200.401348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.401348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.401348 (E_RNA) where: Base-Base interactions energy: -804.110 where: short stacking energy: -358.137 Base-Backbone interact. energy: -4.004 local terms energy: -392.287520 where: bonds (distance) C4'-P energy: -75.955 bonds (distance) P-C4' energy: -90.024 flat angles C4'-P-C4' energy: -85.763 flat angles P-C4'-P energy: -56.020 tors. eta vs tors. theta energy: -84.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -855.308956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.308956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.308956 (E_RNA) where: Base-Base interactions energy: -533.194 where: short stacking energy: -244.316 Base-Backbone interact. energy: 1.111 local terms energy: -323.225906 where: bonds (distance) C4'-P energy: -72.556 bonds (distance) P-C4' energy: -90.345 flat angles C4'-P-C4' energy: -81.334 flat angles P-C4'-P energy: -46.155 tors. eta vs tors. theta energy: -32.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -526.297351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.297351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.297351 (E_RNA) where: Base-Base interactions energy: -258.127 where: short stacking energy: -151.673 Base-Backbone interact. energy: 1.242 local terms energy: -269.412400 where: bonds (distance) C4'-P energy: -78.008 bonds (distance) P-C4' energy: -68.646 flat angles C4'-P-C4' energy: -77.168 flat angles P-C4'-P energy: -47.186 tors. eta vs tors. theta energy: 1.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1837.224578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.224578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.224578 (E_RNA) where: Base-Base interactions energy: -1275.938 where: short stacking energy: -565.917 Base-Backbone interact. energy: -2.359 local terms energy: -558.927007 where: bonds (distance) C4'-P energy: -92.140 bonds (distance) P-C4' energy: -107.764 flat angles C4'-P-C4' energy: -122.915 flat angles P-C4'-P energy: -82.333 tors. eta vs tors. theta energy: -153.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1730.216425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.216425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.216425 (E_RNA) where: Base-Base interactions energy: -1215.388 where: short stacking energy: -514.807 Base-Backbone interact. energy: -3.054 local terms energy: -511.774922 where: bonds (distance) C4'-P energy: -92.525 bonds (distance) P-C4' energy: -92.469 flat angles C4'-P-C4' energy: -103.793 flat angles P-C4'-P energy: -80.898 tors. eta vs tors. theta energy: -142.090 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: 3, replica: 9 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -1658.926769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.926769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.926769 (E_RNA) where: Base-Base interactions energy: -1173.357 where: short stacking energy: -529.638 Base-Backbone interact. energy: -0.995 local terms energy: -484.574933 where: bonds (distance) C4'-P energy: -76.008 bonds (distance) P-C4' energy: -87.271 flat angles C4'-P-C4' energy: -100.571 flat angles P-C4'-P energy: -65.984 tors. eta vs tors. theta energy: -154.741 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: 7 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -1567.828723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.828723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.828723 (E_RNA) where: Base-Base interactions energy: -1080.103 where: short stacking energy: -432.503 Base-Backbone interact. energy: -4.682 local terms energy: -483.043927 where: bonds (distance) C4'-P energy: -89.010 bonds (distance) P-C4' energy: -96.176 flat angles C4'-P-C4' energy: -116.811 flat angles P-C4'-P energy: -76.165 tors. eta vs tors. theta energy: -104.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -1475.508407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.508407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.508407 (E_RNA) where: Base-Base interactions energy: -985.500 where: short stacking energy: -428.208 Base-Backbone interact. energy: -1.727 local terms energy: -488.281157 where: bonds (distance) C4'-P energy: -94.694 bonds (distance) P-C4' energy: -93.844 flat angles C4'-P-C4' energy: -108.622 flat angles P-C4'-P energy: -55.694 tors. eta vs tors. theta energy: -135.427 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: 1 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -1342.120984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.120984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.120984 (E_RNA) where: Base-Base interactions energy: -899.566 where: short stacking energy: -392.897 Base-Backbone interact. energy: -1.533 local terms energy: -441.022009 where: bonds (distance) C4'-P energy: -97.763 bonds (distance) P-C4' energy: -88.261 flat angles C4'-P-C4' energy: -98.311 flat angles P-C4'-P energy: -68.005 tors. eta vs tors. theta energy: -88.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -1290.098005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.098005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.098005 (E_RNA) where: Base-Base interactions energy: -878.479 where: short stacking energy: -374.363 Base-Backbone interact. energy: -1.823 local terms energy: -409.796570 where: bonds (distance) C4'-P energy: -79.334 bonds (distance) P-C4' energy: -77.859 flat angles C4'-P-C4' energy: -97.877 flat angles P-C4'-P energy: -60.823 tors. eta vs tors. theta energy: -93.904 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: 8, replica: 8 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -1165.758767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.758767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.758767 (E_RNA) where: Base-Base interactions energy: -814.536 where: short stacking energy: -366.660 Base-Backbone interact. energy: -4.668 local terms energy: -346.555061 where: bonds (distance) C4'-P energy: -70.620 bonds (distance) P-C4' energy: -75.118 flat angles C4'-P-C4' energy: -71.092 flat angles P-C4'-P energy: -43.049 tors. eta vs tors. theta energy: -86.676 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: 10 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -879.402054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.402054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.402054 (E_RNA) where: Base-Base interactions energy: -578.020 where: short stacking energy: -264.382 Base-Backbone interact. energy: -4.090 local terms energy: -297.291473 where: bonds (distance) C4'-P energy: -73.710 bonds (distance) P-C4' energy: -82.293 flat angles C4'-P-C4' energy: -67.443 flat angles P-C4'-P energy: -38.874 tors. eta vs tors. theta energy: -34.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -521.973643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.973643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.973643 (E_RNA) where: Base-Base interactions energy: -271.078 where: short stacking energy: -139.955 Base-Backbone interact. energy: 1.758 local terms energy: -252.653657 where: bonds (distance) C4'-P energy: -68.829 bonds (distance) P-C4' energy: -93.351 flat angles C4'-P-C4' energy: -52.095 flat angles P-C4'-P energy: -40.573 tors. eta vs tors. theta energy: 2.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1826.734912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.734912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.734912 (E_RNA) where: Base-Base interactions energy: -1270.703 where: short stacking energy: -548.421 Base-Backbone interact. energy: -1.692 local terms energy: -554.339858 where: bonds (distance) C4'-P energy: -91.206 bonds (distance) P-C4' energy: -96.627 flat angles C4'-P-C4' energy: -121.196 flat angles P-C4'-P energy: -86.702 tors. eta vs tors. theta energy: -158.610 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: 2, replica: 5 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -1740.592082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.592082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.592082 (E_RNA) where: Base-Base interactions energy: -1215.132 where: short stacking energy: -491.271 Base-Backbone interact. energy: -4.170 local terms energy: -521.289403 where: bonds (distance) C4'-P energy: -99.515 bonds (distance) P-C4' energy: -95.322 flat angles C4'-P-C4' energy: -103.187 flat angles P-C4'-P energy: -78.666 tors. eta vs tors. theta energy: -144.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1635.164778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.164778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.164778 (E_RNA) where: Base-Base interactions energy: -1152.320 where: short stacking energy: -504.206 Base-Backbone interact. energy: -1.449 local terms energy: -481.395867 where: bonds (distance) C4'-P energy: -81.861 bonds (distance) P-C4' energy: -80.286 flat angles C4'-P-C4' energy: -105.521 flat angles P-C4'-P energy: -76.784 tors. eta vs tors. theta energy: -136.944 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: 7 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -1592.316260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.316260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.316260 (E_RNA) where: Base-Base interactions energy: -1119.089 where: short stacking energy: -468.581 Base-Backbone interact. energy: 0.009 local terms energy: -473.236555 where: bonds (distance) C4'-P energy: -85.900 bonds (distance) P-C4' energy: -90.455 flat angles C4'-P-C4' energy: -116.311 flat angles P-C4'-P energy: -54.585 tors. eta vs tors. theta energy: -125.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -1464.457159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.457159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.457159 (E_RNA) where: Base-Base interactions energy: -989.474 where: short stacking energy: -420.637 Base-Backbone interact. energy: -2.185 local terms energy: -472.799050 where: bonds (distance) C4'-P energy: -89.138 bonds (distance) P-C4' energy: -91.945 flat angles C4'-P-C4' energy: -99.318 flat angles P-C4'-P energy: -75.167 tors. eta vs tors. theta energy: -117.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -1316.803803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.803803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.803803 (E_RNA) where: Base-Base interactions energy: -880.312 where: short stacking energy: -376.657 Base-Backbone interact. energy: -2.605 local terms energy: -433.886446 where: bonds (distance) C4'-P energy: -94.977 bonds (distance) P-C4' energy: -84.588 flat angles C4'-P-C4' energy: -100.437 flat angles P-C4'-P energy: -63.429 tors. eta vs tors. theta energy: -90.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -1251.010506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.010506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.010506 (E_RNA) where: Base-Base interactions energy: -861.240 where: short stacking energy: -371.772 Base-Backbone interact. energy: 1.435 local terms energy: -391.205623 where: bonds (distance) C4'-P energy: -77.443 bonds (distance) P-C4' energy: -80.671 flat angles C4'-P-C4' energy: -94.417 flat angles P-C4'-P energy: -61.594 tors. eta vs tors. theta energy: -77.080 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: 155 Temperature: 1.250000 Total energy: -1137.922152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.922152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.922152 (E_RNA) where: Base-Base interactions energy: -756.624 where: short stacking energy: -327.130 Base-Backbone interact. energy: -1.397 local terms energy: -379.901093 where: bonds (distance) C4'-P energy: -83.689 bonds (distance) P-C4' energy: -90.670 flat angles C4'-P-C4' energy: -95.388 flat angles P-C4'-P energy: -47.557 tors. eta vs tors. theta energy: -62.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -842.281818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.281818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.281818 (E_RNA) where: Base-Base interactions energy: -553.641 where: short stacking energy: -238.855 Base-Backbone interact. energy: 0.554 local terms energy: -289.194777 where: bonds (distance) C4'-P energy: -66.752 bonds (distance) P-C4' energy: -67.772 flat angles C4'-P-C4' energy: -72.608 flat angles P-C4'-P energy: -47.540 tors. eta vs tors. theta energy: -34.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -543.483144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.483144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.483144 (E_RNA) where: Base-Base interactions energy: -266.978 where: short stacking energy: -159.085 Base-Backbone interact. energy: -2.802 local terms energy: -273.703570 where: bonds (distance) C4'-P energy: -86.815 bonds (distance) P-C4' energy: -78.097 flat angles C4'-P-C4' energy: -72.473 flat angles P-C4'-P energy: -40.635 tors. eta vs tors. theta energy: 4.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1820.324314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.324314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.324314 (E_RNA) where: Base-Base interactions energy: -1258.481 where: short stacking energy: -541.370 Base-Backbone interact. energy: -4.760 local terms energy: -557.083353 where: bonds (distance) C4'-P energy: -107.091 bonds (distance) P-C4' energy: -95.513 flat angles C4'-P-C4' energy: -119.724 flat angles P-C4'-P energy: -83.445 tors. eta vs tors. theta energy: -151.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1753.133273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.133273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.133273 (E_RNA) where: Base-Base interactions energy: -1237.399 where: short stacking energy: -503.803 Base-Backbone interact. energy: -5.060 local terms energy: -510.674245 where: bonds (distance) C4'-P energy: -92.129 bonds (distance) P-C4' energy: -95.243 flat angles C4'-P-C4' energy: -103.494 flat angles P-C4'-P energy: -70.402 tors. eta vs tors. theta energy: -149.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -1635.799699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.799699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.799699 (E_RNA) where: Base-Base interactions energy: -1134.411 where: short stacking energy: -490.748 Base-Backbone interact. energy: 0.225 local terms energy: -501.613724 where: bonds (distance) C4'-P energy: -90.282 bonds (distance) P-C4' energy: -89.142 flat angles C4'-P-C4' energy: -114.293 flat angles P-C4'-P energy: -71.305 tors. eta vs tors. theta energy: -136.591 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: 7 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -1561.570979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.570979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.570979 (E_RNA) where: Base-Base interactions energy: -1077.288 where: short stacking energy: -456.711 Base-Backbone interact. energy: -1.521 local terms energy: -482.762025 where: bonds (distance) C4'-P energy: -89.400 bonds (distance) P-C4' energy: -103.439 flat angles C4'-P-C4' energy: -101.211 flat angles P-C4'-P energy: -72.193 tors. eta vs tors. theta energy: -116.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -1462.771177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.771177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.771177 (E_RNA) where: Base-Base interactions energy: -998.817 where: short stacking energy: -424.277 Base-Backbone interact. energy: -1.830 local terms energy: -462.124276 where: bonds (distance) C4'-P energy: -91.489 bonds (distance) P-C4' energy: -89.989 flat angles C4'-P-C4' energy: -94.384 flat angles P-C4'-P energy: -65.493 tors. eta vs tors. theta energy: -120.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -1352.659424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.659424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.659424 (E_RNA) where: Base-Base interactions energy: -904.386 where: short stacking energy: -390.457 Base-Backbone interact. energy: -2.844 local terms energy: -445.429256 where: bonds (distance) C4'-P energy: -97.821 bonds (distance) P-C4' energy: -89.533 flat angles C4'-P-C4' energy: -92.548 flat angles P-C4'-P energy: -58.634 tors. eta vs tors. theta energy: -106.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -1311.372460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.372460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.372460 (E_RNA) where: Base-Base interactions energy: -867.806 where: short stacking energy: -384.734 Base-Backbone interact. energy: -3.017 local terms energy: -440.549429 where: bonds (distance) C4'-P energy: -92.972 bonds (distance) P-C4' energy: -97.115 flat angles C4'-P-C4' energy: -96.408 flat angles P-C4'-P energy: -65.803 tors. eta vs tors. theta energy: -88.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -1109.105786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.105786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.105786 (E_RNA) where: Base-Base interactions energy: -747.662 where: short stacking energy: -329.529 Base-Backbone interact. energy: 0.712 local terms energy: -362.155105 where: bonds (distance) C4'-P energy: -73.040 bonds (distance) P-C4' energy: -81.999 flat angles C4'-P-C4' energy: -84.271 flat angles P-C4'-P energy: -56.345 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: 9, replica: 10 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -899.525080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.525080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.525080 (E_RNA) where: Base-Base interactions energy: -562.254 where: short stacking energy: -266.070 Base-Backbone interact. energy: -3.871 local terms energy: -333.400350 where: bonds (distance) C4'-P energy: -82.116 bonds (distance) P-C4' energy: -86.128 flat angles C4'-P-C4' energy: -70.778 flat angles P-C4'-P energy: -44.880 tors. eta vs tors. theta energy: -49.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -568.767953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.767953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.767953 (E_RNA) where: Base-Base interactions energy: -294.870 where: short stacking energy: -167.302 Base-Backbone interact. energy: -1.905 local terms energy: -271.992999 where: bonds (distance) C4'-P energy: -81.563 bonds (distance) P-C4' energy: -80.771 flat angles C4'-P-C4' energy: -67.375 flat angles P-C4'-P energy: -29.165 tors. eta vs tors. theta energy: -13.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1816.500488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.500488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.500488 (E_RNA) where: Base-Base interactions energy: -1286.088 where: short stacking energy: -556.609 Base-Backbone interact. energy: -2.369 local terms energy: -528.044155 where: bonds (distance) C4'-P energy: -99.849 bonds (distance) P-C4' energy: -89.493 flat angles C4'-P-C4' energy: -111.624 flat angles P-C4'-P energy: -80.455 tors. eta vs tors. theta energy: -146.624 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: 157 Temperature: 0.950000 Total energy: -1738.243668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.243668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.243668 (E_RNA) where: Base-Base interactions energy: -1225.537 where: short stacking energy: -525.955 Base-Backbone interact. energy: -2.391 local terms energy: -510.316030 where: bonds (distance) C4'-P energy: -88.613 bonds (distance) P-C4' energy: -97.303 flat angles C4'-P-C4' energy: -103.762 flat angles P-C4'-P energy: -79.389 tors. eta vs tors. theta energy: -141.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1658.527022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.527022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.527022 (E_RNA) where: Base-Base interactions energy: -1164.372 where: short stacking energy: -500.560 Base-Backbone interact. energy: -1.684 local terms energy: -492.470522 where: bonds (distance) C4'-P energy: -93.980 bonds (distance) P-C4' energy: -92.173 flat angles C4'-P-C4' energy: -109.994 flat angles P-C4'-P energy: -61.922 tors. eta vs tors. theta energy: -134.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -1569.112426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.112426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.112426 (E_RNA) where: Base-Base interactions energy: -1103.087 where: short stacking energy: -437.431 Base-Backbone interact. energy: -3.682 local terms energy: -462.344274 where: bonds (distance) C4'-P energy: -85.208 bonds (distance) P-C4' energy: -99.707 flat angles C4'-P-C4' energy: -96.943 flat angles P-C4'-P energy: -63.809 tors. eta vs tors. theta energy: -116.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -1488.165139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.165139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.165139 (E_RNA) where: Base-Base interactions energy: -1016.925 where: short stacking energy: -455.583 Base-Backbone interact. energy: 1.661 local terms energy: -472.900679 where: bonds (distance) C4'-P energy: -89.542 bonds (distance) P-C4' energy: -85.547 flat angles C4'-P-C4' energy: -105.901 flat angles P-C4'-P energy: -71.804 tors. eta vs tors. theta energy: -120.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -1397.941722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.941722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.941722 (E_RNA) where: Base-Base interactions energy: -963.766 where: short stacking energy: -435.361 Base-Backbone interact. energy: -1.706 local terms energy: -432.469743 where: bonds (distance) C4'-P energy: -75.884 bonds (distance) P-C4' energy: -87.357 flat angles C4'-P-C4' energy: -91.785 flat angles P-C4'-P energy: -52.879 tors. eta vs tors. theta energy: -124.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -1319.690568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.690568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.690568 (E_RNA) where: Base-Base interactions energy: -916.192 where: short stacking energy: -375.414 Base-Backbone interact. energy: -0.707 local terms energy: -402.791299 where: bonds (distance) C4'-P energy: -74.746 bonds (distance) P-C4' energy: -96.021 flat angles C4'-P-C4' energy: -85.446 flat angles P-C4'-P energy: -51.592 tors. eta vs tors. theta energy: -94.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -1077.586519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.586519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.586519 (E_RNA) where: Base-Base interactions energy: -717.346 where: short stacking energy: -303.997 Base-Backbone interact. energy: -1.822 local terms energy: -358.417868 where: bonds (distance) C4'-P energy: -83.538 bonds (distance) P-C4' energy: -69.656 flat angles C4'-P-C4' energy: -79.027 flat angles P-C4'-P energy: -71.992 tors. eta vs tors. theta energy: -54.204 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: 10 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -929.509785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.509785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.509785 (E_RNA) where: Base-Base interactions energy: -595.654 where: short stacking energy: -288.302 Base-Backbone interact. energy: -2.609 local terms energy: -331.246070 where: bonds (distance) C4'-P energy: -81.061 bonds (distance) P-C4' energy: -84.761 flat angles C4'-P-C4' energy: -73.551 flat angles P-C4'-P energy: -40.222 tors. eta vs tors. theta energy: -51.651 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: 2 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -553.786623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.786623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.786623 (E_RNA) where: Base-Base interactions energy: -287.000 where: short stacking energy: -156.765 Base-Backbone interact. energy: 0.759 local terms energy: -267.545783 where: bonds (distance) C4'-P energy: -90.315 bonds (distance) P-C4' energy: -78.741 flat angles C4'-P-C4' energy: -64.873 flat angles P-C4'-P energy: -37.219 tors. eta vs tors. theta energy: 3.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1843.661883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.661883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.661883 (E_RNA) where: Base-Base interactions energy: -1305.240 where: short stacking energy: -565.817 Base-Backbone interact. energy: 0.410 local terms energy: -538.831864 where: bonds (distance) C4'-P energy: -103.915 bonds (distance) P-C4' energy: -97.706 flat angles C4'-P-C4' energy: -108.710 flat angles P-C4'-P energy: -76.565 tors. eta vs tors. theta energy: -151.936 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: 2, replica: 5 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1750.879809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.879809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.879809 (E_RNA) where: Base-Base interactions energy: -1219.255 where: short stacking energy: -531.599 Base-Backbone interact. energy: -3.406 local terms energy: -528.219129 where: bonds (distance) C4'-P energy: -94.797 bonds (distance) P-C4' energy: -92.130 flat angles C4'-P-C4' energy: -113.567 flat angles P-C4'-P energy: -76.501 tors. eta vs tors. theta energy: -151.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -1649.955460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.955460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.955460 (E_RNA) where: Base-Base interactions energy: -1154.244 where: short stacking energy: -506.540 Base-Backbone interact. energy: -3.279 local terms energy: -492.432385 where: bonds (distance) C4'-P energy: -86.960 bonds (distance) P-C4' energy: -82.183 flat angles C4'-P-C4' energy: -109.999 flat angles P-C4'-P energy: -69.461 tors. eta vs tors. theta energy: -143.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -1543.436348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.436348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.436348 (E_RNA) where: Base-Base interactions energy: -1104.222 where: short stacking energy: -454.838 Base-Backbone interact. energy: -0.465 local terms energy: -438.749195 where: bonds (distance) C4'-P energy: -66.267 bonds (distance) P-C4' energy: -91.606 flat angles C4'-P-C4' energy: -92.495 flat angles P-C4'-P energy: -70.563 tors. eta vs tors. theta energy: -117.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -1496.126244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.126244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.126244 (E_RNA) where: Base-Base interactions energy: -1029.438 where: short stacking energy: -457.766 Base-Backbone interact. energy: -0.991 local terms energy: -465.697588 where: bonds (distance) C4'-P energy: -89.512 bonds (distance) P-C4' energy: -83.180 flat angles C4'-P-C4' energy: -96.515 flat angles P-C4'-P energy: -69.498 tors. eta vs tors. theta energy: -126.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -1386.729117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.729117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.729117 (E_RNA) where: Base-Base interactions energy: -981.691 where: short stacking energy: -410.225 Base-Backbone interact. energy: -0.317 local terms energy: -404.720791 where: bonds (distance) C4'-P energy: -89.499 bonds (distance) P-C4' energy: -74.694 flat angles C4'-P-C4' energy: -83.600 flat angles P-C4'-P energy: -41.708 tors. eta vs tors. theta energy: -115.220 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: 1 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -1299.186491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.186491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.186491 (E_RNA) where: Base-Base interactions energy: -902.245 where: short stacking energy: -401.070 Base-Backbone interact. energy: -0.230 local terms energy: -396.711870 where: bonds (distance) C4'-P energy: -71.176 bonds (distance) P-C4' energy: -88.374 flat angles C4'-P-C4' energy: -81.445 flat angles P-C4'-P energy: -63.663 tors. eta vs tors. theta energy: -92.053 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: 8 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -1128.051693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.051693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.051693 (E_RNA) where: Base-Base interactions energy: -774.230 where: short stacking energy: -346.006 Base-Backbone interact. energy: 2.068 local terms energy: -355.889066 where: bonds (distance) C4'-P energy: -71.175 bonds (distance) P-C4' energy: -53.892 flat angles C4'-P-C4' energy: -96.309 flat angles P-C4'-P energy: -54.309 tors. eta vs tors. theta energy: -80.204 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: 10 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -866.734228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.734228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.734228 (E_RNA) where: Base-Base interactions energy: -559.744 where: short stacking energy: -259.255 Base-Backbone interact. energy: 2.162 local terms energy: -309.151366 where: bonds (distance) C4'-P energy: -60.990 bonds (distance) P-C4' energy: -93.013 flat angles C4'-P-C4' energy: -86.585 flat angles P-C4'-P energy: -24.294 tors. eta vs tors. theta energy: -44.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -615.282094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.282094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.282094 (E_RNA) where: Base-Base interactions energy: -330.092 where: short stacking energy: -176.558 Base-Backbone interact. energy: 0.965 local terms energy: -286.155101 where: bonds (distance) C4'-P energy: -80.850 bonds (distance) P-C4' energy: -93.935 flat angles C4'-P-C4' energy: -77.651 flat angles P-C4'-P energy: -34.305 tors. eta vs tors. theta energy: 0.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1846.615172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.615172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.615172 (E_RNA) where: Base-Base interactions energy: -1297.179 where: short stacking energy: -543.903 Base-Backbone interact. energy: -3.648 local terms energy: -545.787819 where: bonds (distance) C4'-P energy: -90.671 bonds (distance) P-C4' energy: -106.229 flat angles C4'-P-C4' energy: -114.852 flat angles P-C4'-P energy: -81.133 tors. eta vs tors. theta energy: -152.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1733.513358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.513358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.513358 (E_RNA) where: Base-Base interactions energy: -1202.654 where: short stacking energy: -508.856 Base-Backbone interact. energy: -0.783 local terms energy: -530.076668 where: bonds (distance) C4'-P energy: -95.766 bonds (distance) P-C4' energy: -91.477 flat angles C4'-P-C4' energy: -122.164 flat angles P-C4'-P energy: -77.509 tors. eta vs tors. theta energy: -143.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -1637.302849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.302849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.302849 (E_RNA) where: Base-Base interactions energy: -1125.385 where: short stacking energy: -518.954 Base-Backbone interact. energy: -1.321 local terms energy: -510.596993 where: bonds (distance) C4'-P energy: -82.983 bonds (distance) P-C4' energy: -101.448 flat angles C4'-P-C4' energy: -103.203 flat angles P-C4'-P energy: -81.025 tors. eta vs tors. theta energy: -141.938 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: 7 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -1591.287315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.287315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.287315 (E_RNA) where: Base-Base interactions energy: -1109.326 where: short stacking energy: -456.549 Base-Backbone interact. energy: 3.032 local terms energy: -484.993266 where: bonds (distance) C4'-P energy: -83.834 bonds (distance) P-C4' energy: -110.782 flat angles C4'-P-C4' energy: -91.093 flat angles P-C4'-P energy: -80.962 tors. eta vs tors. theta energy: -118.322 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: 4 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -1512.855424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.855424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.855424 (E_RNA) where: Base-Base interactions energy: -1034.866 where: short stacking energy: -452.514 Base-Backbone interact. energy: 0.787 local terms energy: -478.775981 where: bonds (distance) C4'-P energy: -98.863 bonds (distance) P-C4' energy: -87.045 flat angles C4'-P-C4' energy: -103.226 flat angles P-C4'-P energy: -62.139 tors. eta vs tors. theta energy: -127.502 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: 3 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -1408.410357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.410357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.410357 (E_RNA) where: Base-Base interactions energy: -982.363 where: short stacking energy: -417.549 Base-Backbone interact. energy: -1.797 local terms energy: -424.250029 where: bonds (distance) C4'-P energy: -64.381 bonds (distance) P-C4' energy: -79.893 flat angles C4'-P-C4' energy: -101.185 flat angles P-C4'-P energy: -68.130 tors. eta vs tors. theta energy: -110.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -1310.472235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.472235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.472235 (E_RNA) where: Base-Base interactions energy: -920.122 where: short stacking energy: -382.010 Base-Backbone interact. energy: -0.356 local terms energy: -389.993772 where: bonds (distance) C4'-P energy: -71.782 bonds (distance) P-C4' energy: -88.466 flat angles C4'-P-C4' energy: -83.645 flat angles P-C4'-P energy: -60.451 tors. eta vs tors. theta energy: -85.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -1167.198815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.198815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.198815 (E_RNA) where: Base-Base interactions energy: -785.964 where: short stacking energy: -346.575 Base-Backbone interact. energy: -1.615 local terms energy: -379.620641 where: bonds (distance) C4'-P energy: -84.290 bonds (distance) P-C4' energy: -91.510 flat angles C4'-P-C4' energy: -85.717 flat angles P-C4'-P energy: -41.345 tors. eta vs tors. theta energy: -76.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -859.305393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.305393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.305393 (E_RNA) where: Base-Base interactions energy: -518.749 where: short stacking energy: -234.608 Base-Backbone interact. energy: -1.746 local terms energy: -338.810493 where: bonds (distance) C4'-P energy: -80.396 bonds (distance) P-C4' energy: -84.605 flat angles C4'-P-C4' energy: -88.879 flat angles P-C4'-P energy: -48.275 tors. eta vs tors. theta energy: -36.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -562.900804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.900804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.900804 (E_RNA) where: Base-Base interactions energy: -289.769 where: short stacking energy: -171.057 Base-Backbone interact. energy: -2.561 local terms energy: -270.571416 where: bonds (distance) C4'-P energy: -89.187 bonds (distance) P-C4' energy: -69.458 flat angles C4'-P-C4' energy: -77.285 flat angles P-C4'-P energy: -39.947 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: 6 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1834.930340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.930340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.930340 (E_RNA) where: Base-Base interactions energy: -1305.702 where: short stacking energy: -550.815 Base-Backbone interact. energy: -1.497 local terms energy: -527.731507 where: bonds (distance) C4'-P energy: -93.758 bonds (distance) P-C4' energy: -84.496 flat angles C4'-P-C4' energy: -115.538 flat angles P-C4'-P energy: -76.244 tors. eta vs tors. theta energy: -157.695 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: 5 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1744.303127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.303127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.303127 (E_RNA) where: Base-Base interactions energy: -1236.303 where: short stacking energy: -514.753 Base-Backbone interact. energy: -8.326 local terms energy: -499.674245 where: bonds (distance) C4'-P energy: -81.403 bonds (distance) P-C4' energy: -96.645 flat angles C4'-P-C4' energy: -105.956 flat angles P-C4'-P energy: -75.107 tors. eta vs tors. theta energy: -140.562 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: 9 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -1669.912079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.912079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.912079 (E_RNA) where: Base-Base interactions energy: -1163.247 where: short stacking energy: -506.691 Base-Backbone interact. energy: -1.167 local terms energy: -505.498054 where: bonds (distance) C4'-P energy: -85.503 bonds (distance) P-C4' energy: -99.844 flat angles C4'-P-C4' energy: -109.384 flat angles P-C4'-P energy: -65.459 tors. eta vs tors. theta energy: -145.309 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: 7 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -1548.919552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.919552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.919552 (E_RNA) where: Base-Base interactions energy: -1096.499 where: short stacking energy: -441.284 Base-Backbone interact. energy: 0.044 local terms energy: -452.463792 where: bonds (distance) C4'-P energy: -81.019 bonds (distance) P-C4' energy: -96.530 flat angles C4'-P-C4' energy: -103.662 flat angles P-C4'-P energy: -58.236 tors. eta vs tors. theta energy: -113.016 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: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -1476.758822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.758822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.758822 (E_RNA) where: Base-Base interactions energy: -1018.625 where: short stacking energy: -451.107 Base-Backbone interact. energy: -1.439 local terms energy: -456.694875 where: bonds (distance) C4'-P energy: -83.763 bonds (distance) P-C4' energy: -79.275 flat angles C4'-P-C4' energy: -105.681 flat angles P-C4'-P energy: -66.416 tors. eta vs tors. theta energy: -121.559 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: 4 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -1432.339668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.339668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.339668 (E_RNA) where: Base-Base interactions energy: -982.332 where: short stacking energy: -423.435 Base-Backbone interact. energy: -1.988 local terms energy: -448.020374 where: bonds (distance) C4'-P energy: -98.122 bonds (distance) P-C4' energy: -85.699 flat angles C4'-P-C4' energy: -95.725 flat angles P-C4'-P energy: -54.362 tors. eta vs tors. theta energy: -114.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -1325.154942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.154942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.154942 (E_RNA) where: Base-Base interactions energy: -906.742 where: short stacking energy: -386.069 Base-Backbone interact. energy: -2.900 local terms energy: -415.513625 where: bonds (distance) C4'-P energy: -86.393 bonds (distance) P-C4' energy: -94.879 flat angles C4'-P-C4' energy: -101.582 flat angles P-C4'-P energy: -41.225 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: 8, replica: 8 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -1145.787123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.787123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.787123 (E_RNA) where: Base-Base interactions energy: -732.030 where: short stacking energy: -336.824 Base-Backbone interact. energy: -0.453 local terms energy: -413.303864 where: bonds (distance) C4'-P energy: -87.685 bonds (distance) P-C4' energy: -90.880 flat angles C4'-P-C4' energy: -88.735 flat angles P-C4'-P energy: -55.597 tors. eta vs tors. theta energy: -90.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -800.318941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.318941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.318941 (E_RNA) where: Base-Base interactions energy: -492.676 where: short stacking energy: -244.727 Base-Backbone interact. energy: -0.349 local terms energy: -307.293796 where: bonds (distance) C4'-P energy: -84.875 bonds (distance) P-C4' energy: -83.998 flat angles C4'-P-C4' energy: -87.717 flat angles P-C4'-P energy: -26.895 tors. eta vs tors. theta energy: -23.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -562.935048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.935048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.935048 (E_RNA) where: Base-Base interactions energy: -288.420 where: short stacking energy: -183.012 Base-Backbone interact. energy: -0.787 local terms energy: -273.728739 where: bonds (distance) C4'-P energy: -64.127 bonds (distance) P-C4' energy: -84.675 flat angles C4'-P-C4' energy: -71.507 flat angles P-C4'-P energy: -49.219 tors. eta vs tors. theta energy: -4.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1828.969889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.969889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.969889 (E_RNA) where: Base-Base interactions energy: -1286.250 where: short stacking energy: -550.139 Base-Backbone interact. energy: 1.663 local terms energy: -544.383008 where: bonds (distance) C4'-P energy: -101.564 bonds (distance) P-C4' energy: -90.511 flat angles C4'-P-C4' energy: -116.306 flat angles P-C4'-P energy: -78.359 tors. eta vs tors. theta energy: -157.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1746.913036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.913036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.913036 (E_RNA) where: Base-Base interactions energy: -1251.720 where: short stacking energy: -529.358 Base-Backbone interact. energy: 1.169 local terms energy: -496.362245 where: bonds (distance) C4'-P energy: -86.733 bonds (distance) P-C4' energy: -99.520 flat angles C4'-P-C4' energy: -104.468 flat angles P-C4'-P energy: -69.388 tors. eta vs tors. theta energy: -136.254 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: 9 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1674.614356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.614356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.614356 (E_RNA) where: Base-Base interactions energy: -1162.281 where: short stacking energy: -511.818 Base-Backbone interact. energy: 0.820 local terms energy: -513.153180 where: bonds (distance) C4'-P energy: -90.036 bonds (distance) P-C4' energy: -99.337 flat angles C4'-P-C4' energy: -107.977 flat angles P-C4'-P energy: -73.397 tors. eta vs tors. theta energy: -142.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -1579.251864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.251864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.251864 (E_RNA) where: Base-Base interactions energy: -1091.975 where: short stacking energy: -463.298 Base-Backbone interact. energy: -4.067 local terms energy: -483.209732 where: bonds (distance) C4'-P energy: -98.605 bonds (distance) P-C4' energy: -87.629 flat angles C4'-P-C4' energy: -109.870 flat angles P-C4'-P energy: -70.444 tors. eta vs tors. theta energy: -116.661 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: 3 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -1498.760237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.760237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.760237 (E_RNA) where: Base-Base interactions energy: -1028.443 where: short stacking energy: -450.718 Base-Backbone interact. energy: -1.046 local terms energy: -469.270972 where: bonds (distance) C4'-P energy: -79.548 bonds (distance) P-C4' energy: -94.211 flat angles C4'-P-C4' energy: -108.891 flat angles P-C4'-P energy: -65.923 tors. eta vs tors. theta energy: -120.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -1428.857734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.857734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.857734 (E_RNA) where: Base-Base interactions energy: -971.177 where: short stacking energy: -432.959 Base-Backbone interact. energy: 0.163 local terms energy: -457.843279 where: bonds (distance) C4'-P energy: -78.527 bonds (distance) P-C4' energy: -100.646 flat angles C4'-P-C4' energy: -90.706 flat angles P-C4'-P energy: -61.228 tors. eta vs tors. theta energy: -126.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -1286.026390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.026390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.026390 (E_RNA) where: Base-Base interactions energy: -875.277 where: short stacking energy: -377.604 Base-Backbone interact. energy: -2.208 local terms energy: -408.541384 where: bonds (distance) C4'-P energy: -76.418 bonds (distance) P-C4' energy: -83.039 flat angles C4'-P-C4' energy: -95.732 flat angles P-C4'-P energy: -62.269 tors. eta vs tors. theta energy: -91.082 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: 8 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -1106.422036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.422036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.422036 (E_RNA) where: Base-Base interactions energy: -748.562 where: short stacking energy: -342.302 Base-Backbone interact. energy: 1.665 local terms energy: -359.524927 where: bonds (distance) C4'-P energy: -69.240 bonds (distance) P-C4' energy: -70.678 flat angles C4'-P-C4' energy: -96.167 flat angles P-C4'-P energy: -42.470 tors. eta vs tors. theta energy: -80.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -817.560654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.560654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.560654 (E_RNA) where: Base-Base interactions energy: -510.088 where: short stacking energy: -245.040 Base-Backbone interact. energy: -2.800 local terms energy: -304.672570 where: bonds (distance) C4'-P energy: -69.289 bonds (distance) P-C4' energy: -87.025 flat angles C4'-P-C4' energy: -79.282 flat angles P-C4'-P energy: -42.015 tors. eta vs tors. theta energy: -27.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -551.472588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.472588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.472588 (E_RNA) where: Base-Base interactions energy: -293.221 where: short stacking energy: -154.707 Base-Backbone interact. energy: -0.666 local terms energy: -257.585741 where: bonds (distance) C4'-P energy: -79.664 bonds (distance) P-C4' energy: -92.730 flat angles C4'-P-C4' energy: -56.398 flat angles P-C4'-P energy: -33.478 tors. eta vs tors. theta energy: 4.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1853.997978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.997978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.997978 (E_RNA) where: Base-Base interactions energy: -1309.350 where: short stacking energy: -540.653 Base-Backbone interact. energy: -2.927 local terms energy: -541.721470 where: bonds (distance) C4'-P energy: -96.953 bonds (distance) P-C4' energy: -100.606 flat angles C4'-P-C4' energy: -119.688 flat angles P-C4'-P energy: -70.986 tors. eta vs tors. theta energy: -153.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1733.613976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.613976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.613976 (E_RNA) where: Base-Base interactions energy: -1241.787 where: short stacking energy: -504.423 Base-Backbone interact. energy: -4.333 local terms energy: -487.494050 where: bonds (distance) C4'-P energy: -74.485 bonds (distance) P-C4' energy: -94.902 flat angles C4'-P-C4' energy: -106.741 flat angles P-C4'-P energy: -71.402 tors. eta vs tors. theta energy: -139.965 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: 9 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1641.316936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.316936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.316936 (E_RNA) where: Base-Base interactions energy: -1129.853 where: short stacking energy: -507.632 Base-Backbone interact. energy: -1.929 local terms energy: -509.534606 where: bonds (distance) C4'-P energy: -99.685 bonds (distance) P-C4' energy: -82.137 flat angles C4'-P-C4' energy: -113.550 flat angles P-C4'-P energy: -72.402 tors. eta vs tors. theta energy: -141.761 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: 7 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -1519.187190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.187190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.187190 (E_RNA) where: Base-Base interactions energy: -1055.499 where: short stacking energy: -436.840 Base-Backbone interact. energy: -2.390 local terms energy: -461.298169 where: bonds (distance) C4'-P energy: -88.819 bonds (distance) P-C4' energy: -103.588 flat angles C4'-P-C4' energy: -95.334 flat angles P-C4'-P energy: -60.410 tors. eta vs tors. theta energy: -113.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -1443.475497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.475497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.475497 (E_RNA) where: Base-Base interactions energy: -986.058 where: short stacking energy: -429.716 Base-Backbone interact. energy: -2.018 local terms energy: -455.399612 where: bonds (distance) C4'-P energy: -82.036 bonds (distance) P-C4' energy: -92.973 flat angles C4'-P-C4' energy: -100.677 flat angles P-C4'-P energy: -62.866 tors. eta vs tors. theta energy: -116.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -1428.540444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.540444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.540444 (E_RNA) where: Base-Base interactions energy: -997.786 where: short stacking energy: -439.436 Base-Backbone interact. energy: -3.502 local terms energy: -427.252102 where: bonds (distance) C4'-P energy: -65.627 bonds (distance) P-C4' energy: -92.554 flat angles C4'-P-C4' energy: -92.935 flat angles P-C4'-P energy: -60.179 tors. eta vs tors. theta energy: -115.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -1297.416054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.416054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.416054 (E_RNA) where: Base-Base interactions energy: -896.479 where: short stacking energy: -360.706 Base-Backbone interact. energy: -2.004 local terms energy: -398.932699 where: bonds (distance) C4'-P energy: -79.324 bonds (distance) P-C4' energy: -84.956 flat angles C4'-P-C4' energy: -85.735 flat angles P-C4'-P energy: -62.370 tors. eta vs tors. theta energy: -86.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -1198.239996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.239996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.239996 (E_RNA) where: Base-Base interactions energy: -823.244 where: short stacking energy: -373.390 Base-Backbone interact. energy: 3.622 local terms energy: -378.618006 where: bonds (distance) C4'-P energy: -78.138 bonds (distance) P-C4' energy: -79.372 flat angles C4'-P-C4' energy: -87.526 flat angles P-C4'-P energy: -48.876 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: 9, replica: 10 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -736.351050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.351050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.351050 (E_RNA) where: Base-Base interactions energy: -436.226 where: short stacking energy: -196.831 Base-Backbone interact. energy: 3.840 local terms energy: -303.965526 where: bonds (distance) C4'-P energy: -66.124 bonds (distance) P-C4' energy: -94.898 flat angles C4'-P-C4' energy: -80.809 flat angles P-C4'-P energy: -46.503 tors. eta vs tors. theta energy: -15.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -577.244575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.244575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.244575 (E_RNA) where: Base-Base interactions energy: -310.547 where: short stacking energy: -169.723 Base-Backbone interact. energy: 4.218 local terms energy: -270.916041 where: bonds (distance) C4'-P energy: -61.892 bonds (distance) P-C4' energy: -88.511 flat angles C4'-P-C4' energy: -61.344 flat angles P-C4'-P energy: -56.307 tors. eta vs tors. theta energy: -2.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1859.073084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.073084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.073084 (E_RNA) where: Base-Base interactions energy: -1295.894 where: short stacking energy: -558.272 Base-Backbone interact. energy: -2.413 local terms energy: -560.766419 where: bonds (distance) C4'-P energy: -103.487 bonds (distance) P-C4' energy: -93.878 flat angles C4'-P-C4' energy: -119.157 flat angles P-C4'-P energy: -88.567 tors. eta vs tors. theta energy: -155.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1755.463371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.463371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.463371 (E_RNA) where: Base-Base interactions energy: -1235.350 where: short stacking energy: -522.833 Base-Backbone interact. energy: -4.590 local terms energy: -515.522800 where: bonds (distance) C4'-P energy: -98.512 bonds (distance) P-C4' energy: -99.132 flat angles C4'-P-C4' energy: -108.747 flat angles P-C4'-P energy: -68.509 tors. eta vs tors. theta energy: -140.624 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: 9 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -1662.349371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.349371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.349371 (E_RNA) where: Base-Base interactions energy: -1167.590 where: short stacking energy: -494.047 Base-Backbone interact. energy: -1.969 local terms energy: -492.790239 where: bonds (distance) C4'-P energy: -86.081 bonds (distance) P-C4' energy: -91.976 flat angles C4'-P-C4' energy: -113.738 flat angles P-C4'-P energy: -64.868 tors. eta vs tors. theta energy: -136.128 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: 7 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -1515.550517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.550517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.550517 (E_RNA) where: Base-Base interactions energy: -1054.169 where: short stacking energy: -450.804 Base-Backbone interact. energy: 0.029 local terms energy: -461.410805 where: bonds (distance) C4'-P energy: -80.863 bonds (distance) P-C4' energy: -93.362 flat angles C4'-P-C4' energy: -92.307 flat angles P-C4'-P energy: -71.445 tors. eta vs tors. theta energy: -123.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -1485.469436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.469436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.469436 (E_RNA) where: Base-Base interactions energy: -1034.470 where: short stacking energy: -439.497 Base-Backbone interact. energy: 1.328 local terms energy: -452.327518 where: bonds (distance) C4'-P energy: -80.296 bonds (distance) P-C4' energy: -93.331 flat angles C4'-P-C4' energy: -92.246 flat angles P-C4'-P energy: -67.025 tors. eta vs tors. theta energy: -119.428 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: 6, replica: 4 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -1427.160115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.160115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.160115 (E_RNA) where: Base-Base interactions energy: -991.238 where: short stacking energy: -410.189 Base-Backbone interact. energy: -1.469 local terms energy: -434.452407 where: bonds (distance) C4'-P energy: -79.890 bonds (distance) P-C4' energy: -78.658 flat angles C4'-P-C4' energy: -101.965 flat angles P-C4'-P energy: -68.212 tors. eta vs tors. theta energy: -105.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -1287.512465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.512465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.512465 (E_RNA) where: Base-Base interactions energy: -894.471 where: short stacking energy: -398.488 Base-Backbone interact. energy: -1.549 local terms energy: -391.491730 where: bonds (distance) C4'-P energy: -63.622 bonds (distance) P-C4' energy: -93.911 flat angles C4'-P-C4' energy: -82.407 flat angles P-C4'-P energy: -59.076 tors. eta vs tors. theta energy: -92.476 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: 8 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -1187.606734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.606734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.606734 (E_RNA) where: Base-Base interactions energy: -794.027 where: short stacking energy: -352.849 Base-Backbone interact. energy: -2.442 local terms energy: -391.137567 where: bonds (distance) C4'-P energy: -71.351 bonds (distance) P-C4' energy: -92.736 flat angles C4'-P-C4' energy: -95.782 flat angles P-C4'-P energy: -51.047 tors. eta vs tors. theta energy: -80.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -795.046679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.046679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.046679 (E_RNA) where: Base-Base interactions energy: -496.959 where: short stacking energy: -254.038 Base-Backbone interact. energy: -0.665 local terms energy: -297.423186 where: bonds (distance) C4'-P energy: -64.613 bonds (distance) P-C4' energy: -76.281 flat angles C4'-P-C4' energy: -84.008 flat angles P-C4'-P energy: -41.290 tors. eta vs tors. theta energy: -31.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -507.100808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.100808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.100808 (E_RNA) where: Base-Base interactions energy: -247.450 where: short stacking energy: -150.686 Base-Backbone interact. energy: 1.153 local terms energy: -260.803556 where: bonds (distance) C4'-P energy: -71.344 bonds (distance) P-C4' energy: -93.015 flat angles C4'-P-C4' energy: -52.856 flat angles P-C4'-P energy: -45.215 tors. eta vs tors. theta energy: 1.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1836.860545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.860545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.860545 (E_RNA) where: Base-Base interactions energy: -1303.972 where: short stacking energy: -553.510 Base-Backbone interact. energy: -2.547 local terms energy: -530.342355 where: bonds (distance) C4'-P energy: -94.018 bonds (distance) P-C4' energy: -97.344 flat angles C4'-P-C4' energy: -117.131 flat angles P-C4'-P energy: -73.146 tors. eta vs tors. theta energy: -148.704 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: 5 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1761.664972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.664972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.664972 (E_RNA) where: Base-Base interactions energy: -1253.325 where: short stacking energy: -517.888 Base-Backbone interact. energy: -5.900 local terms energy: -502.440875 where: bonds (distance) C4'-P energy: -78.907 bonds (distance) P-C4' energy: -88.199 flat angles C4'-P-C4' energy: -117.935 flat angles P-C4'-P energy: -74.060 tors. eta vs tors. theta energy: -143.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1667.326764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.326764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.326764 (E_RNA) where: Base-Base interactions energy: -1163.099 where: short stacking energy: -508.902 Base-Backbone interact. energy: -2.809 local terms energy: -501.418556 where: bonds (distance) C4'-P energy: -99.714 bonds (distance) P-C4' energy: -95.426 flat angles C4'-P-C4' energy: -107.828 flat angles P-C4'-P energy: -66.044 tors. eta vs tors. theta energy: -132.407 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: 164 Temperature: 1.050000 Total energy: -1520.717593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.717593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.717593 (E_RNA) where: Base-Base interactions energy: -1056.099 where: short stacking energy: -437.140 Base-Backbone interact. energy: -2.576 local terms energy: -462.042882 where: bonds (distance) C4'-P energy: -91.677 bonds (distance) P-C4' energy: -96.129 flat angles C4'-P-C4' energy: -102.699 flat angles P-C4'-P energy: -61.493 tors. eta vs tors. theta energy: -110.045 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: 3 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -1488.685159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.685159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.685159 (E_RNA) where: Base-Base interactions energy: -1016.993 where: short stacking energy: -440.505 Base-Backbone interact. energy: -0.357 local terms energy: -471.334295 where: bonds (distance) C4'-P energy: -91.583 bonds (distance) P-C4' energy: -89.710 flat angles C4'-P-C4' energy: -86.409 flat angles P-C4'-P energy: -68.385 tors. eta vs tors. theta energy: -135.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -1432.026374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.026374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.026374 (E_RNA) where: Base-Base interactions energy: -998.054 where: short stacking energy: -439.329 Base-Backbone interact. energy: -2.600 local terms energy: -431.372236 where: bonds (distance) C4'-P energy: -94.343 bonds (distance) P-C4' energy: -67.960 flat angles C4'-P-C4' energy: -91.228 flat angles P-C4'-P energy: -63.054 tors. eta vs tors. theta energy: -114.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -1265.315105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.315105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.315105 (E_RNA) where: Base-Base interactions energy: -838.798 where: short stacking energy: -376.202 Base-Backbone interact. energy: -2.402 local terms energy: -424.115941 where: bonds (distance) C4'-P energy: -86.297 bonds (distance) P-C4' energy: -85.581 flat angles C4'-P-C4' energy: -99.322 flat angles P-C4'-P energy: -64.626 tors. eta vs tors. theta energy: -88.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -1187.480075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.480075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.480075 (E_RNA) where: Base-Base interactions energy: -805.642 where: short stacking energy: -340.098 Base-Backbone interact. energy: -1.485 local terms energy: -380.353180 where: bonds (distance) C4'-P energy: -76.433 bonds (distance) P-C4' energy: -86.475 flat angles C4'-P-C4' energy: -88.852 flat angles P-C4'-P energy: -46.305 tors. eta vs tors. theta energy: -82.289 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: 164 Temperature: 1.300000 Total energy: -801.839017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.839017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.839017 (E_RNA) where: Base-Base interactions energy: -493.520 where: short stacking energy: -254.586 Base-Backbone interact. energy: 1.275 local terms energy: -309.594129 where: bonds (distance) C4'-P energy: -73.382 bonds (distance) P-C4' energy: -86.301 flat angles C4'-P-C4' energy: -65.966 flat angles P-C4'-P energy: -43.882 tors. eta vs tors. theta energy: -40.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -563.560443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.560443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.560443 (E_RNA) where: Base-Base interactions energy: -275.683 where: short stacking energy: -167.896 Base-Backbone interact. energy: 0.389 local terms energy: -288.266465 where: bonds (distance) C4'-P energy: -87.283 bonds (distance) P-C4' energy: -78.559 flat angles C4'-P-C4' energy: -71.289 flat angles P-C4'-P energy: -45.810 tors. eta vs tors. theta energy: -5.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1824.472679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1824.472679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1824.472679 (E_RNA) where: Base-Base interactions energy: -1283.348 where: short stacking energy: -564.082 Base-Backbone interact. energy: -1.089 local terms energy: -540.036011 where: bonds (distance) C4'-P energy: -96.804 bonds (distance) P-C4' energy: -97.018 flat angles C4'-P-C4' energy: -114.809 flat angles P-C4'-P energy: -77.008 tors. eta vs tors. theta energy: -154.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1744.490525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.490525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.490525 (E_RNA) where: Base-Base interactions energy: -1226.031 where: short stacking energy: -509.574 Base-Backbone interact. energy: -4.896 local terms energy: -513.562744 where: bonds (distance) C4'-P energy: -95.157 bonds (distance) P-C4' energy: -104.360 flat angles C4'-P-C4' energy: -105.724 flat angles P-C4'-P energy: -69.857 tors. eta vs tors. theta energy: -138.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -1642.143820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.143820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.143820 (E_RNA) where: Base-Base interactions energy: -1134.343 where: short stacking energy: -494.573 Base-Backbone interact. energy: -0.186 local terms energy: -507.614923 where: bonds (distance) C4'-P energy: -95.295 bonds (distance) P-C4' energy: -92.769 flat angles C4'-P-C4' energy: -104.876 flat angles P-C4'-P energy: -76.499 tors. eta vs tors. theta energy: -138.175 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: 7 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -1538.897899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.897899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.897899 (E_RNA) where: Base-Base interactions energy: -1046.742 where: short stacking energy: -436.643 Base-Backbone interact. energy: -1.187 local terms energy: -490.969558 where: bonds (distance) C4'-P energy: -85.323 bonds (distance) P-C4' energy: -99.110 flat angles C4'-P-C4' energy: -110.474 flat angles P-C4'-P energy: -72.509 tors. eta vs tors. theta energy: -123.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -1503.488760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.488760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.488760 (E_RNA) where: Base-Base interactions energy: -1034.232 where: short stacking energy: -459.450 Base-Backbone interact. energy: -1.001 local terms energy: -468.255986 where: bonds (distance) C4'-P energy: -95.805 bonds (distance) P-C4' energy: -86.832 flat angles C4'-P-C4' energy: -98.842 flat angles P-C4'-P energy: -63.897 tors. eta vs tors. theta energy: -122.881 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: 4 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -1410.224419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.224419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.224419 (E_RNA) where: Base-Base interactions energy: -973.823 where: short stacking energy: -427.959 Base-Backbone interact. energy: -3.317 local terms energy: -433.084833 where: bonds (distance) C4'-P energy: -81.764 bonds (distance) P-C4' energy: -85.242 flat angles C4'-P-C4' energy: -85.339 flat angles P-C4'-P energy: -65.824 tors. eta vs tors. theta energy: -114.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -1277.587171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.587171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.587171 (E_RNA) where: Base-Base interactions energy: -881.396 where: short stacking energy: -391.551 Base-Backbone interact. energy: -0.753 local terms energy: -395.438056 where: bonds (distance) C4'-P energy: -67.134 bonds (distance) P-C4' energy: -82.760 flat angles C4'-P-C4' energy: -88.804 flat angles P-C4'-P energy: -66.178 tors. eta vs tors. theta energy: -90.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -1111.641938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.641938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.641938 (E_RNA) where: Base-Base interactions energy: -745.094 where: short stacking energy: -331.584 Base-Backbone interact. energy: -1.564 local terms energy: -364.983692 where: bonds (distance) C4'-P energy: -82.584 bonds (distance) P-C4' energy: -78.737 flat angles C4'-P-C4' energy: -74.545 flat angles P-C4'-P energy: -56.578 tors. eta vs tors. theta energy: -72.540 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: 165 Temperature: 1.300000 Total energy: -770.970566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.970566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.970566 (E_RNA) where: Base-Base interactions energy: -467.659 where: short stacking energy: -200.459 Base-Backbone interact. energy: 2.462 local terms energy: -305.774384 where: bonds (distance) C4'-P energy: -88.259 bonds (distance) P-C4' energy: -64.500 flat angles C4'-P-C4' energy: -80.824 flat angles P-C4'-P energy: -48.876 tors. eta vs tors. theta energy: -23.315 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: 10, replica: 2 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -567.331079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.331079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.331079 (E_RNA) where: Base-Base interactions energy: -313.562 where: short stacking energy: -178.468 Base-Backbone interact. energy: 4.993 local terms energy: -258.761856 where: bonds (distance) C4'-P energy: -70.267 bonds (distance) P-C4' energy: -84.582 flat angles C4'-P-C4' energy: -55.232 flat angles P-C4'-P energy: -43.635 tors. eta vs tors. theta energy: -5.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1832.093787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1832.093787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1832.093787 (E_RNA) where: Base-Base interactions energy: -1292.870 where: short stacking energy: -547.101 Base-Backbone interact. energy: -0.487 local terms energy: -538.736852 where: bonds (distance) C4'-P energy: -97.600 bonds (distance) P-C4' energy: -98.018 flat angles C4'-P-C4' energy: -105.019 flat angles P-C4'-P energy: -85.884 tors. eta vs tors. theta energy: -152.215 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: 166 Temperature: 0.950000 Total energy: -1749.032425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.032425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.032425 (E_RNA) where: Base-Base interactions energy: -1224.913 where: short stacking energy: -507.456 Base-Backbone interact. energy: -1.757 local terms energy: -522.362649 where: bonds (distance) C4'-P energy: -98.883 bonds (distance) P-C4' energy: -92.406 flat angles C4'-P-C4' energy: -112.991 flat angles P-C4'-P energy: -76.921 tors. eta vs tors. theta energy: -141.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -1667.073750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.073750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.073750 (E_RNA) where: Base-Base interactions energy: -1130.774 where: short stacking energy: -516.797 Base-Backbone interact. energy: -1.766 local terms energy: -534.533699 where: bonds (distance) C4'-P energy: -105.749 bonds (distance) P-C4' energy: -98.962 flat angles C4'-P-C4' energy: -106.439 flat angles P-C4'-P energy: -80.537 tors. eta vs tors. theta energy: -142.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -1550.257460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.257460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.257460 (E_RNA) where: Base-Base interactions energy: -1087.635 where: short stacking energy: -460.053 Base-Backbone interact. energy: -2.263 local terms energy: -460.359714 where: bonds (distance) C4'-P energy: -91.476 bonds (distance) P-C4' energy: -87.917 flat angles C4'-P-C4' energy: -105.098 flat angles P-C4'-P energy: -57.014 tors. eta vs tors. theta energy: -118.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -1487.309479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.309479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.309479 (E_RNA) where: Base-Base interactions energy: -1030.445 where: short stacking energy: -448.221 Base-Backbone interact. energy: 0.390 local terms energy: -457.255244 where: bonds (distance) C4'-P energy: -80.814 bonds (distance) P-C4' energy: -96.552 flat angles C4'-P-C4' energy: -92.005 flat angles P-C4'-P energy: -63.186 tors. eta vs tors. theta energy: -124.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -1405.049732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.049732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.049732 (E_RNA) where: Base-Base interactions energy: -968.215 where: short stacking energy: -404.626 Base-Backbone interact. energy: -0.512 local terms energy: -436.322682 where: bonds (distance) C4'-P energy: -61.845 bonds (distance) P-C4' energy: -94.514 flat angles C4'-P-C4' energy: -100.421 flat angles P-C4'-P energy: -71.299 tors. eta vs tors. theta energy: -108.245 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: 7, replica: 1 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -1281.936632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.936632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.936632 (E_RNA) where: Base-Base interactions energy: -857.279 where: short stacking energy: -385.931 Base-Backbone interact. energy: -1.468 local terms energy: -423.189896 where: bonds (distance) C4'-P energy: -79.276 bonds (distance) P-C4' energy: -88.639 flat angles C4'-P-C4' energy: -87.039 flat angles P-C4'-P energy: -70.106 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: 8, replica: 8 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -1112.246649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.246649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.246649 (E_RNA) where: Base-Base interactions energy: -731.728 where: short stacking energy: -316.915 Base-Backbone interact. energy: -2.459 local terms energy: -378.059828 where: bonds (distance) C4'-P energy: -75.184 bonds (distance) P-C4' energy: -86.571 flat angles C4'-P-C4' energy: -90.375 flat angles P-C4'-P energy: -59.274 tors. eta vs tors. theta energy: -66.656 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: 166 Temperature: 1.300000 Total energy: -730.171981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.171981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.171981 (E_RNA) where: Base-Base interactions energy: -401.888 where: short stacking energy: -192.342 Base-Backbone interact. energy: -3.003 local terms energy: -325.281542 where: bonds (distance) C4'-P energy: -74.097 bonds (distance) P-C4' energy: -88.986 flat angles C4'-P-C4' energy: -81.992 flat angles P-C4'-P energy: -50.204 tors. eta vs tors. theta energy: -30.002 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: 2 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -540.726479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.726479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.726479 (E_RNA) where: Base-Base interactions energy: -299.646 where: short stacking energy: -153.096 Base-Backbone interact. energy: 3.155 local terms energy: -244.234763 where: bonds (distance) C4'-P energy: -60.111 bonds (distance) P-C4' energy: -86.483 flat angles C4'-P-C4' energy: -63.295 flat angles P-C4'-P energy: -42.462 tors. eta vs tors. theta energy: 8.117 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: 6 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1823.040036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.040036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.040036 (E_RNA) where: Base-Base interactions energy: -1283.965 where: short stacking energy: -546.035 Base-Backbone interact. energy: -1.196 local terms energy: -537.879533 where: bonds (distance) C4'-P energy: -100.526 bonds (distance) P-C4' energy: -100.576 flat angles C4'-P-C4' energy: -110.133 flat angles P-C4'-P energy: -78.654 tors. eta vs tors. theta energy: -147.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1726.616690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.616690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.616690 (E_RNA) where: Base-Base interactions energy: -1217.131 where: short stacking energy: -508.531 Base-Backbone interact. energy: -2.175 local terms energy: -507.310574 where: bonds (distance) C4'-P energy: -96.875 bonds (distance) P-C4' energy: -87.618 flat angles C4'-P-C4' energy: -101.621 flat angles P-C4'-P energy: -83.397 tors. eta vs tors. theta energy: -137.800 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: 9 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -1652.625474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.625474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.625474 (E_RNA) where: Base-Base interactions energy: -1128.600 where: short stacking energy: -479.506 Base-Backbone interact. energy: -0.859 local terms energy: -523.166782 where: bonds (distance) C4'-P energy: -82.510 bonds (distance) P-C4' energy: -101.066 flat angles C4'-P-C4' energy: -111.372 flat angles P-C4'-P energy: -90.592 tors. eta vs tors. theta energy: -137.626 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: 7 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -1533.004990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.004990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.004990 (E_RNA) where: Base-Base interactions energy: -1050.644 where: short stacking energy: -409.177 Base-Backbone interact. energy: -3.317 local terms energy: -479.044416 where: bonds (distance) C4'-P energy: -99.166 bonds (distance) P-C4' energy: -96.955 flat angles C4'-P-C4' energy: -100.957 flat angles P-C4'-P energy: -76.695 tors. eta vs tors. theta energy: -105.272 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: 167 Temperature: 1.100000 Total energy: -1467.091514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.091514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.091514 (E_RNA) where: Base-Base interactions energy: -1013.519 where: short stacking energy: -445.885 Base-Backbone interact. energy: 1.325 local terms energy: -454.897253 where: bonds (distance) C4'-P energy: -80.907 bonds (distance) P-C4' energy: -82.369 flat angles C4'-P-C4' energy: -95.227 flat angles P-C4'-P energy: -71.844 tors. eta vs tors. theta energy: -124.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -1430.698089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.698089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.698089 (E_RNA) where: Base-Base interactions energy: -981.066 where: short stacking energy: -426.902 Base-Backbone interact. energy: -0.119 local terms energy: -449.513476 where: bonds (distance) C4'-P energy: -84.036 bonds (distance) P-C4' energy: -88.276 flat angles C4'-P-C4' energy: -97.341 flat angles P-C4'-P energy: -65.574 tors. eta vs tors. theta energy: -114.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -1254.924803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.924803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.924803 (E_RNA) where: Base-Base interactions energy: -872.818 where: short stacking energy: -344.542 Base-Backbone interact. energy: 0.030 local terms energy: -382.137517 where: bonds (distance) C4'-P energy: -69.923 bonds (distance) P-C4' energy: -80.291 flat angles C4'-P-C4' energy: -87.957 flat angles P-C4'-P energy: -58.215 tors. eta vs tors. theta energy: -85.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -1164.980665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.980665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.980665 (E_RNA) where: Base-Base interactions energy: -790.482 where: short stacking energy: -335.144 Base-Backbone interact. energy: 1.055 local terms energy: -375.553737 where: bonds (distance) C4'-P energy: -85.318 bonds (distance) P-C4' energy: -74.467 flat angles C4'-P-C4' energy: -72.433 flat angles P-C4'-P energy: -57.717 tors. eta vs tors. theta energy: -85.619 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: 10 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -623.448723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.448723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.448723 (E_RNA) where: Base-Base interactions energy: -328.499 where: short stacking energy: -203.886 Base-Backbone interact. energy: 2.148 local terms energy: -297.097976 where: bonds (distance) C4'-P energy: -82.552 bonds (distance) P-C4' energy: -78.664 flat angles C4'-P-C4' energy: -72.298 flat angles P-C4'-P energy: -57.635 tors. eta vs tors. theta energy: -5.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -637.409176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.409176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.409176 (E_RNA) where: Base-Base interactions energy: -321.079 where: short stacking energy: -167.888 Base-Backbone interact. energy: -2.680 local terms energy: -313.650219 where: bonds (distance) C4'-P energy: -95.544 bonds (distance) P-C4' energy: -86.198 flat angles C4'-P-C4' energy: -72.542 flat angles P-C4'-P energy: -47.610 tors. eta vs tors. theta energy: -11.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1825.217780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1825.217780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1825.217780 (E_RNA) where: Base-Base interactions energy: -1278.518 where: short stacking energy: -535.271 Base-Backbone interact. energy: -2.355 local terms energy: -544.345054 where: bonds (distance) C4'-P energy: -98.509 bonds (distance) P-C4' energy: -105.883 flat angles C4'-P-C4' energy: -114.065 flat angles P-C4'-P energy: -74.555 tors. eta vs tors. theta energy: -151.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1727.001702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.001702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.001702 (E_RNA) where: Base-Base interactions energy: -1226.179 where: short stacking energy: -529.345 Base-Backbone interact. energy: -3.750 local terms energy: -497.072545 where: bonds (distance) C4'-P energy: -85.351 bonds (distance) P-C4' energy: -96.845 flat angles C4'-P-C4' energy: -99.067 flat angles P-C4'-P energy: -79.366 tors. eta vs tors. theta energy: -136.443 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: 3, replica: 9 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -1662.061568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.061568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.061568 (E_RNA) where: Base-Base interactions energy: -1158.009 where: short stacking energy: -488.089 Base-Backbone interact. energy: 1.910 local terms energy: -505.962523 where: bonds (distance) C4'-P energy: -88.692 bonds (distance) P-C4' energy: -87.113 flat angles C4'-P-C4' energy: -105.968 flat angles P-C4'-P energy: -80.101 tors. eta vs tors. theta energy: -144.087 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: 7 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -1561.926616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.926616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.926616 (E_RNA) where: Base-Base interactions energy: -1089.210 where: short stacking energy: -460.488 Base-Backbone interact. energy: -1.115 local terms energy: -471.601618 where: bonds (distance) C4'-P energy: -84.961 bonds (distance) P-C4' energy: -87.355 flat angles C4'-P-C4' energy: -101.153 flat angles P-C4'-P energy: -82.840 tors. eta vs tors. theta energy: -115.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -1488.587257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.587257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.587257 (E_RNA) where: Base-Base interactions energy: -1007.149 where: short stacking energy: -431.184 Base-Backbone interact. energy: -2.174 local terms energy: -479.263716 where: bonds (distance) C4'-P energy: -91.174 bonds (distance) P-C4' energy: -100.602 flat angles C4'-P-C4' energy: -99.362 flat angles P-C4'-P energy: -65.355 tors. eta vs tors. theta energy: -122.771 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: 4 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -1444.006480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.006480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.006480 (E_RNA) where: Base-Base interactions energy: -1007.774 where: short stacking energy: -433.674 Base-Backbone interact. energy: -0.392 local terms energy: -435.839839 where: bonds (distance) C4'-P energy: -86.639 bonds (distance) P-C4' energy: -93.608 flat angles C4'-P-C4' energy: -91.098 flat angles P-C4'-P energy: -57.978 tors. eta vs tors. theta energy: -106.517 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: 7, replica: 1 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -1297.810245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.810245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.810245 (E_RNA) where: Base-Base interactions energy: -915.368 where: short stacking energy: -389.883 Base-Backbone interact. energy: -0.309 local terms energy: -382.132944 where: bonds (distance) C4'-P energy: -79.797 bonds (distance) P-C4' energy: -74.517 flat angles C4'-P-C4' energy: -68.747 flat angles P-C4'-P energy: -64.134 tors. eta vs tors. theta energy: -94.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -1151.147692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.147692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.147692 (E_RNA) where: Base-Base interactions energy: -792.086 where: short stacking energy: -329.528 Base-Backbone interact. energy: -2.202 local terms energy: -356.859634 where: bonds (distance) C4'-P energy: -76.784 bonds (distance) P-C4' energy: -84.426 flat angles C4'-P-C4' energy: -80.258 flat angles P-C4'-P energy: -45.927 tors. eta vs tors. theta energy: -69.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -645.085133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.085133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.085133 (E_RNA) where: Base-Base interactions energy: -357.195 where: short stacking energy: -189.698 Base-Backbone interact. energy: 1.304 local terms energy: -289.194202 where: bonds (distance) C4'-P energy: -69.698 bonds (distance) P-C4' energy: -78.547 flat angles C4'-P-C4' energy: -74.017 flat angles P-C4'-P energy: -53.833 tors. eta vs tors. theta energy: -13.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -657.344433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.344433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.344433 (E_RNA) where: Base-Base interactions energy: -351.981 where: short stacking energy: -190.927 Base-Backbone interact. energy: 2.493 local terms energy: -307.856486 where: bonds (distance) C4'-P energy: -96.737 bonds (distance) P-C4' energy: -89.811 flat angles C4'-P-C4' energy: -58.260 flat angles P-C4'-P energy: -43.519 tors. eta vs tors. theta energy: -19.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1827.315263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1827.315263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1827.315263 (E_RNA) where: Base-Base interactions energy: -1273.534 where: short stacking energy: -569.246 Base-Backbone interact. energy: 0.921 local terms energy: -554.701811 where: bonds (distance) C4'-P energy: -100.602 bonds (distance) P-C4' energy: -110.857 flat angles C4'-P-C4' energy: -118.315 flat angles P-C4'-P energy: -71.364 tors. eta vs tors. theta energy: -153.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1723.307588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.307588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.307588 (E_RNA) where: Base-Base interactions energy: -1227.379 where: short stacking energy: -517.474 Base-Backbone interact. energy: 0.980 local terms energy: -496.908033 where: bonds (distance) C4'-P energy: -79.978 bonds (distance) P-C4' energy: -85.422 flat angles C4'-P-C4' energy: -112.966 flat angles P-C4'-P energy: -77.699 tors. eta vs tors. theta energy: -140.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -1679.833026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.833026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.833026 (E_RNA) where: Base-Base interactions energy: -1172.305 where: short stacking energy: -501.453 Base-Backbone interact. energy: -0.789 local terms energy: -506.738569 where: bonds (distance) C4'-P energy: -78.781 bonds (distance) P-C4' energy: -92.430 flat angles C4'-P-C4' energy: -106.112 flat angles P-C4'-P energy: -85.322 tors. eta vs tors. theta energy: -144.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -1496.589704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.589704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.589704 (E_RNA) where: Base-Base interactions energy: -1037.657 where: short stacking energy: -454.863 Base-Backbone interact. energy: -2.709 local terms energy: -456.223305 where: bonds (distance) C4'-P energy: -73.950 bonds (distance) P-C4' energy: -89.614 flat angles C4'-P-C4' energy: -104.653 flat angles P-C4'-P energy: -64.999 tors. eta vs tors. theta energy: -123.008 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: 5, replica: 7 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -1504.920741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.920741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.920741 (E_RNA) where: Base-Base interactions energy: -1044.264 where: short stacking energy: -441.221 Base-Backbone interact. energy: 0.787 local terms energy: -461.444542 where: bonds (distance) C4'-P energy: -79.612 bonds (distance) P-C4' energy: -94.682 flat angles C4'-P-C4' energy: -106.776 flat angles P-C4'-P energy: -64.801 tors. eta vs tors. theta energy: -115.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -1455.779545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.779545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.779545 (E_RNA) where: Base-Base interactions energy: -1020.138 where: short stacking energy: -436.873 Base-Backbone interact. energy: 4.526 local terms energy: -440.167383 where: bonds (distance) C4'-P energy: -89.733 bonds (distance) P-C4' energy: -91.724 flat angles C4'-P-C4' energy: -83.344 flat angles P-C4'-P energy: -61.284 tors. eta vs tors. theta energy: -114.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -1278.536343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.536343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.536343 (E_RNA) where: Base-Base interactions energy: -876.887 where: short stacking energy: -403.664 Base-Backbone interact. energy: 1.045 local terms energy: -402.694547 where: bonds (distance) C4'-P energy: -84.666 bonds (distance) P-C4' energy: -83.482 flat angles C4'-P-C4' energy: -91.747 flat angles P-C4'-P energy: -47.998 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: 8, replica: 8 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -1127.604000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.604000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.604000 (E_RNA) where: Base-Base interactions energy: -781.076 where: short stacking energy: -320.621 Base-Backbone interact. energy: 0.576 local terms energy: -347.104078 where: bonds (distance) C4'-P energy: -72.101 bonds (distance) P-C4' energy: -94.969 flat angles C4'-P-C4' energy: -72.647 flat angles P-C4'-P energy: -38.512 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: 9, replica: 10 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -626.031015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.031015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.031015 (E_RNA) where: Base-Base interactions energy: -336.536 where: short stacking energy: -178.850 Base-Backbone interact. energy: -0.917 local terms energy: -288.577821 where: bonds (distance) C4'-P energy: -70.350 bonds (distance) P-C4' energy: -85.284 flat angles C4'-P-C4' energy: -83.490 flat angles P-C4'-P energy: -36.375 tors. eta vs tors. theta energy: -13.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -643.814696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.814696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.814696 (E_RNA) where: Base-Base interactions energy: -340.549 where: short stacking energy: -191.609 Base-Backbone interact. energy: 0.957 local terms energy: -304.222366 where: bonds (distance) C4'-P energy: -72.472 bonds (distance) P-C4' energy: -79.315 flat angles C4'-P-C4' energy: -70.751 flat angles P-C4'-P energy: -51.806 tors. eta vs tors. theta energy: -29.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1840.409785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.409785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.409785 (E_RNA) where: Base-Base interactions energy: -1292.099 where: short stacking energy: -558.772 Base-Backbone interact. energy: -0.135 local terms energy: -548.175650 where: bonds (distance) C4'-P energy: -97.139 bonds (distance) P-C4' energy: -95.659 flat angles C4'-P-C4' energy: -116.350 flat angles P-C4'-P energy: -86.566 tors. eta vs tors. theta energy: -152.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1735.764790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.764790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.764790 (E_RNA) where: Base-Base interactions energy: -1228.681 where: short stacking energy: -516.484 Base-Backbone interact. energy: -2.485 local terms energy: -504.598978 where: bonds (distance) C4'-P energy: -89.077 bonds (distance) P-C4' energy: -87.806 flat angles C4'-P-C4' energy: -107.889 flat angles P-C4'-P energy: -79.796 tors. eta vs tors. theta energy: -140.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -1658.312710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.312710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.312710 (E_RNA) where: Base-Base interactions energy: -1163.057 where: short stacking energy: -490.883 Base-Backbone interact. energy: -0.148 local terms energy: -495.107667 where: bonds (distance) C4'-P energy: -77.257 bonds (distance) P-C4' energy: -94.154 flat angles C4'-P-C4' energy: -110.703 flat angles P-C4'-P energy: -76.033 tors. eta vs tors. theta energy: -136.961 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: 4, replica: 3 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -1557.913551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.913551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.913551 (E_RNA) where: Base-Base interactions energy: -1066.031 where: short stacking energy: -472.065 Base-Backbone interact. energy: 2.267 local terms energy: -494.149616 where: bonds (distance) C4'-P energy: -84.818 bonds (distance) P-C4' energy: -100.132 flat angles C4'-P-C4' energy: -101.425 flat angles P-C4'-P energy: -77.278 tors. eta vs tors. theta energy: -130.496 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: 5, replica: 7 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -1498.980141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.980141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.980141 (E_RNA) where: Base-Base interactions energy: -1026.997 where: short stacking energy: -448.620 Base-Backbone interact. energy: -2.128 local terms energy: -469.855717 where: bonds (distance) C4'-P energy: -93.197 bonds (distance) P-C4' energy: -83.676 flat angles C4'-P-C4' energy: -109.853 flat angles P-C4'-P energy: -60.435 tors. eta vs tors. theta energy: -122.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -1440.344205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.344205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.344205 (E_RNA) where: Base-Base interactions energy: -1013.775 where: short stacking energy: -445.231 Base-Backbone interact. energy: -0.607 local terms energy: -425.961690 where: bonds (distance) C4'-P energy: -77.607 bonds (distance) P-C4' energy: -81.984 flat angles C4'-P-C4' energy: -85.434 flat angles P-C4'-P energy: -61.001 tors. eta vs tors. theta energy: -119.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -1268.945428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.945428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.945428 (E_RNA) where: Base-Base interactions energy: -863.294 where: short stacking energy: -385.666 Base-Backbone interact. energy: -1.311 local terms energy: -404.340160 where: bonds (distance) C4'-P energy: -74.919 bonds (distance) P-C4' energy: -88.351 flat angles C4'-P-C4' energy: -87.864 flat angles P-C4'-P energy: -59.906 tors. eta vs tors. theta energy: -93.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -1172.980085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.980085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.980085 (E_RNA) where: Base-Base interactions energy: -781.534 where: short stacking energy: -338.040 Base-Backbone interact. energy: -0.507 local terms energy: -390.939150 where: bonds (distance) C4'-P energy: -98.482 bonds (distance) P-C4' energy: -77.915 flat angles C4'-P-C4' energy: -88.209 flat angles P-C4'-P energy: -48.781 tors. eta vs tors. theta energy: -77.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -687.947201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.947201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.947201 (E_RNA) where: Base-Base interactions energy: -356.086 where: short stacking energy: -172.139 Base-Backbone interact. energy: -1.933 local terms energy: -329.927632 where: bonds (distance) C4'-P energy: -86.906 bonds (distance) P-C4' energy: -91.153 flat angles C4'-P-C4' energy: -60.454 flat angles P-C4'-P energy: -64.294 tors. eta vs tors. theta energy: -27.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -614.339356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.339356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.339356 (E_RNA) where: Base-Base interactions energy: -339.114 where: short stacking energy: -164.363 Base-Backbone interact. energy: 0.048 local terms energy: -275.273680 where: bonds (distance) C4'-P energy: -69.062 bonds (distance) P-C4' energy: -92.917 flat angles C4'-P-C4' energy: -66.368 flat angles P-C4'-P energy: -36.746 tors. eta vs tors. theta energy: -10.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1855.144505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.144505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.144505 (E_RNA) where: Base-Base interactions energy: -1296.100 where: short stacking energy: -562.411 Base-Backbone interact. energy: 0.939 local terms energy: -559.983895 where: bonds (distance) C4'-P energy: -107.881 bonds (distance) P-C4' energy: -103.885 flat angles C4'-P-C4' energy: -114.446 flat angles P-C4'-P energy: -83.394 tors. eta vs tors. theta energy: -150.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1757.248910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.248910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.248910 (E_RNA) where: Base-Base interactions energy: -1229.431 where: short stacking energy: -513.596 Base-Backbone interact. energy: -1.865 local terms energy: -525.953343 where: bonds (distance) C4'-P energy: -94.338 bonds (distance) P-C4' energy: -99.427 flat angles C4'-P-C4' energy: -109.360 flat angles P-C4'-P energy: -75.746 tors. eta vs tors. theta energy: -147.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -1654.176086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.176086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.176086 (E_RNA) where: Base-Base interactions energy: -1156.898 where: short stacking energy: -505.610 Base-Backbone interact. energy: -1.133 local terms energy: -496.144853 where: bonds (distance) C4'-P energy: -91.911 bonds (distance) P-C4' energy: -87.064 flat angles C4'-P-C4' energy: -107.398 flat angles P-C4'-P energy: -73.315 tors. eta vs tors. theta energy: -136.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -1521.985278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.985278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.985278 (E_RNA) where: Base-Base interactions energy: -1052.154 where: short stacking energy: -459.106 Base-Backbone interact. energy: 0.638 local terms energy: -470.469191 where: bonds (distance) C4'-P energy: -90.240 bonds (distance) P-C4' energy: -89.044 flat angles C4'-P-C4' energy: -99.203 flat angles P-C4'-P energy: -61.067 tors. eta vs tors. theta energy: -130.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -1507.691995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.691995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.691995 (E_RNA) where: Base-Base interactions energy: -1035.326 where: short stacking energy: -430.971 Base-Backbone interact. energy: 0.534 local terms energy: -472.899123 where: bonds (distance) C4'-P energy: -83.069 bonds (distance) P-C4' energy: -88.839 flat angles C4'-P-C4' energy: -103.061 flat angles P-C4'-P energy: -74.189 tors. eta vs tors. theta energy: -123.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -1422.420026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.420026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.420026 (E_RNA) where: Base-Base interactions energy: -1002.260 where: short stacking energy: -417.457 Base-Backbone interact. energy: -0.535 local terms energy: -419.625111 where: bonds (distance) C4'-P energy: -77.441 bonds (distance) P-C4' energy: -69.311 flat angles C4'-P-C4' energy: -91.890 flat angles P-C4'-P energy: -65.528 tors. eta vs tors. theta energy: -115.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -1298.923393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.923393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.923393 (E_RNA) where: Base-Base interactions energy: -859.543 where: short stacking energy: -365.955 Base-Backbone interact. energy: -1.278 local terms energy: -438.103343 where: bonds (distance) C4'-P energy: -83.411 bonds (distance) P-C4' energy: -94.133 flat angles C4'-P-C4' energy: -102.884 flat angles P-C4'-P energy: -59.351 tors. eta vs tors. theta energy: -98.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -1169.136075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.136075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.136075 (E_RNA) where: Base-Base interactions energy: -792.735 where: short stacking energy: -356.017 Base-Backbone interact. energy: 0.048 local terms energy: -376.449625 where: bonds (distance) C4'-P energy: -70.468 bonds (distance) P-C4' energy: -86.452 flat angles C4'-P-C4' energy: -72.150 flat angles P-C4'-P energy: -56.165 tors. eta vs tors. theta energy: -91.215 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: 2 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -671.667837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.667837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.667837 (E_RNA) where: Base-Base interactions energy: -380.342 where: short stacking energy: -189.567 Base-Backbone interact. energy: -0.513 local terms energy: -290.813607 where: bonds (distance) C4'-P energy: -71.390 bonds (distance) P-C4' energy: -76.755 flat angles C4'-P-C4' energy: -81.431 flat angles P-C4'-P energy: -60.104 tors. eta vs tors. theta energy: -1.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -620.615720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.615720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.615720 (E_RNA) where: Base-Base interactions energy: -315.534 where: short stacking energy: -169.436 Base-Backbone interact. energy: -1.037 local terms energy: -304.044050 where: bonds (distance) C4'-P energy: -75.819 bonds (distance) P-C4' energy: -97.859 flat angles C4'-P-C4' energy: -86.555 flat angles P-C4'-P energy: -37.914 tors. eta vs tors. theta energy: -5.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1840.593684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.593684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.593684 (E_RNA) where: Base-Base interactions energy: -1303.076 where: short stacking energy: -552.349 Base-Backbone interact. energy: -4.035 local terms energy: -533.482573 where: bonds (distance) C4'-P energy: -96.132 bonds (distance) P-C4' energy: -106.629 flat angles C4'-P-C4' energy: -106.947 flat angles P-C4'-P energy: -74.365 tors. eta vs tors. theta energy: -149.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1704.187099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.187099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.187099 (E_RNA) where: Base-Base interactions energy: -1200.893 where: short stacking energy: -506.411 Base-Backbone interact. energy: -0.238 local terms energy: -503.056203 where: bonds (distance) C4'-P energy: -95.593 bonds (distance) P-C4' energy: -86.280 flat angles C4'-P-C4' energy: -104.425 flat angles P-C4'-P energy: -79.741 tors. eta vs tors. theta energy: -137.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -1644.640590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.640590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.640590 (E_RNA) where: Base-Base interactions energy: -1151.300 where: short stacking energy: -504.808 Base-Backbone interact. energy: -0.355 local terms energy: -492.986413 where: bonds (distance) C4'-P energy: -78.079 bonds (distance) P-C4' energy: -96.655 flat angles C4'-P-C4' energy: -100.056 flat angles P-C4'-P energy: -80.162 tors. eta vs tors. theta energy: -138.035 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: 3 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -1522.136141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.136141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.136141 (E_RNA) where: Base-Base interactions energy: -1053.917 where: short stacking energy: -469.648 Base-Backbone interact. energy: -0.238 local terms energy: -467.981243 where: bonds (distance) C4'-P energy: -93.366 bonds (distance) P-C4' energy: -87.792 flat angles C4'-P-C4' energy: -91.459 flat angles P-C4'-P energy: -65.725 tors. eta vs tors. theta energy: -129.640 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: 172 Temperature: 1.100000 Total energy: -1493.099119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.099119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.099119 (E_RNA) where: Base-Base interactions energy: -1056.068 where: short stacking energy: -428.153 Base-Backbone interact. energy: 1.804 local terms energy: -438.835197 where: bonds (distance) C4'-P energy: -90.852 bonds (distance) P-C4' energy: -83.215 flat angles C4'-P-C4' energy: -101.449 flat angles P-C4'-P energy: -48.072 tors. eta vs tors. theta energy: -115.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -1368.982647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.982647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.982647 (E_RNA) where: Base-Base interactions energy: -944.158 where: short stacking energy: -404.057 Base-Backbone interact. energy: 0.304 local terms energy: -425.128685 where: bonds (distance) C4'-P energy: -70.231 bonds (distance) P-C4' energy: -92.986 flat angles C4'-P-C4' energy: -101.175 flat angles P-C4'-P energy: -56.099 tors. eta vs tors. theta energy: -104.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -1281.537184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.537184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.537184 (E_RNA) where: Base-Base interactions energy: -841.626 where: short stacking energy: -366.038 Base-Backbone interact. energy: -0.077 local terms energy: -439.834358 where: bonds (distance) C4'-P energy: -87.505 bonds (distance) P-C4' energy: -91.260 flat angles C4'-P-C4' energy: -105.216 flat angles P-C4'-P energy: -60.863 tors. eta vs tors. theta energy: -94.990 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: 8 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -1112.143789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.143789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.143789 (E_RNA) where: Base-Base interactions energy: -736.670 where: short stacking energy: -307.693 Base-Backbone interact. energy: -2.181 local terms energy: -373.292625 where: bonds (distance) C4'-P energy: -74.853 bonds (distance) P-C4' energy: -85.420 flat angles C4'-P-C4' energy: -79.208 flat angles P-C4'-P energy: -55.283 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: 9, replica: 10 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -728.086196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.086196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.086196 (E_RNA) where: Base-Base interactions energy: -406.465 where: short stacking energy: -223.474 Base-Backbone interact. energy: -0.799 local terms energy: -320.821446 where: bonds (distance) C4'-P energy: -75.210 bonds (distance) P-C4' energy: -78.142 flat angles C4'-P-C4' energy: -66.580 flat angles P-C4'-P energy: -64.201 tors. eta vs tors. theta energy: -36.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -680.408386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.408386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.408386 (E_RNA) where: Base-Base interactions energy: -385.097 where: short stacking energy: -203.101 Base-Backbone interact. energy: -2.235 local terms energy: -293.076329 where: bonds (distance) C4'-P energy: -70.503 bonds (distance) P-C4' energy: -82.814 flat angles C4'-P-C4' energy: -80.565 flat angles P-C4'-P energy: -39.903 tors. eta vs tors. theta energy: -19.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1842.479616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.479616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.479616 (E_RNA) where: Base-Base interactions energy: -1288.153 where: short stacking energy: -543.577 Base-Backbone interact. energy: -0.983 local terms energy: -553.342953 where: bonds (distance) C4'-P energy: -91.321 bonds (distance) P-C4' energy: -107.395 flat angles C4'-P-C4' energy: -116.735 flat angles P-C4'-P energy: -86.074 tors. eta vs tors. theta energy: -151.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1726.827118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.827118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.827118 (E_RNA) where: Base-Base interactions energy: -1205.570 where: short stacking energy: -515.929 Base-Backbone interact. energy: -3.648 local terms energy: -517.608717 where: bonds (distance) C4'-P energy: -95.499 bonds (distance) P-C4' energy: -99.338 flat angles C4'-P-C4' energy: -108.172 flat angles P-C4'-P energy: -71.307 tors. eta vs tors. theta energy: -143.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -1643.043510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.043510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.043510 (E_RNA) where: Base-Base interactions energy: -1142.874 where: short stacking energy: -499.476 Base-Backbone interact. energy: 3.719 local terms energy: -503.888731 where: bonds (distance) C4'-P energy: -84.153 bonds (distance) P-C4' energy: -102.542 flat angles C4'-P-C4' energy: -104.482 flat angles P-C4'-P energy: -81.143 tors. eta vs tors. theta energy: -131.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -1550.040014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.040014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.040014 (E_RNA) where: Base-Base interactions energy: -1036.980 where: short stacking energy: -440.864 Base-Backbone interact. energy: -3.667 local terms energy: -509.393436 where: bonds (distance) C4'-P energy: -93.234 bonds (distance) P-C4' energy: -97.532 flat angles C4'-P-C4' energy: -110.446 flat angles P-C4'-P energy: -75.408 tors. eta vs tors. theta energy: -132.773 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: 5, replica: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -1474.287924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.287924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.287924 (E_RNA) where: Base-Base interactions energy: -1014.049 where: short stacking energy: -441.522 Base-Backbone interact. energy: -1.999 local terms energy: -458.240145 where: bonds (distance) C4'-P energy: -75.183 bonds (distance) P-C4' energy: -95.744 flat angles C4'-P-C4' energy: -99.424 flat angles P-C4'-P energy: -68.066 tors. eta vs tors. theta energy: -119.824 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: 4 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -1388.177294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.177294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.177294 (E_RNA) where: Base-Base interactions energy: -970.792 where: short stacking energy: -392.686 Base-Backbone interact. energy: -1.015 local terms energy: -416.370878 where: bonds (distance) C4'-P energy: -79.817 bonds (distance) P-C4' energy: -84.474 flat angles C4'-P-C4' energy: -89.745 flat angles P-C4'-P energy: -63.553 tors. eta vs tors. theta energy: -98.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -1261.509725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.509725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.509725 (E_RNA) where: Base-Base interactions energy: -852.619 where: short stacking energy: -383.540 Base-Backbone interact. energy: -1.121 local terms energy: -407.769554 where: bonds (distance) C4'-P energy: -85.413 bonds (distance) P-C4' energy: -94.585 flat angles C4'-P-C4' energy: -94.240 flat angles P-C4'-P energy: -52.719 tors. eta vs tors. theta energy: -80.812 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: 173 Temperature: 1.250000 Total energy: -1105.735352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.735352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.735352 (E_RNA) where: Base-Base interactions energy: -741.561 where: short stacking energy: -325.562 Base-Backbone interact. energy: 0.035 local terms energy: -364.209435 where: bonds (distance) C4'-P energy: -81.339 bonds (distance) P-C4' energy: -77.495 flat angles C4'-P-C4' energy: -74.164 flat angles P-C4'-P energy: -53.659 tors. eta vs tors. theta energy: -77.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -783.667868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.667868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.667868 (E_RNA) where: Base-Base interactions energy: -456.474 where: short stacking energy: -243.195 Base-Backbone interact. energy: -0.205 local terms energy: -326.988868 where: bonds (distance) C4'-P energy: -63.021 bonds (distance) P-C4' energy: -88.304 flat angles C4'-P-C4' energy: -83.379 flat angles P-C4'-P energy: -52.390 tors. eta vs tors. theta energy: -39.895 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: 2 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -660.164664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.164664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.164664 (E_RNA) where: Base-Base interactions energy: -371.413 where: short stacking energy: -188.720 Base-Backbone interact. energy: 5.379 local terms energy: -294.130506 where: bonds (distance) C4'-P energy: -69.346 bonds (distance) P-C4' energy: -76.961 flat angles C4'-P-C4' energy: -71.052 flat angles P-C4'-P energy: -62.891 tors. eta vs tors. theta energy: -13.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1851.856207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.856207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.856207 (E_RNA) where: Base-Base interactions energy: -1299.601 where: short stacking energy: -553.305 Base-Backbone interact. energy: -0.806 local terms energy: -551.449155 where: bonds (distance) C4'-P energy: -103.653 bonds (distance) P-C4' energy: -99.987 flat angles C4'-P-C4' energy: -119.280 flat angles P-C4'-P energy: -83.191 tors. eta vs tors. theta energy: -145.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1740.536200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.536200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.536200 (E_RNA) where: Base-Base interactions energy: -1236.890 where: short stacking energy: -514.436 Base-Backbone interact. energy: -1.860 local terms energy: -501.785577 where: bonds (distance) C4'-P energy: -98.227 bonds (distance) P-C4' energy: -90.311 flat angles C4'-P-C4' energy: -100.681 flat angles P-C4'-P energy: -67.387 tors. eta vs tors. theta energy: -145.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -1641.368584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.368584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.368584 (E_RNA) where: Base-Base interactions energy: -1180.607 where: short stacking energy: -502.436 Base-Backbone interact. energy: -0.725 local terms energy: -460.037244 where: bonds (distance) C4'-P energy: -82.051 bonds (distance) P-C4' energy: -76.056 flat angles C4'-P-C4' energy: -94.158 flat angles P-C4'-P energy: -69.791 tors. eta vs tors. theta energy: -137.980 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: 4, replica: 7 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -1521.226385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.226385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.226385 (E_RNA) where: Base-Base interactions energy: -1055.832 where: short stacking energy: -457.775 Base-Backbone interact. energy: 1.184 local terms energy: -466.578494 where: bonds (distance) C4'-P energy: -79.424 bonds (distance) P-C4' energy: -95.855 flat angles C4'-P-C4' energy: -97.042 flat angles P-C4'-P energy: -68.727 tors. eta vs tors. theta energy: -125.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -1457.151773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.151773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.151773 (E_RNA) where: Base-Base interactions energy: -1010.857 where: short stacking energy: -451.325 Base-Backbone interact. energy: 1.197 local terms energy: -447.491491 where: bonds (distance) C4'-P energy: -78.472 bonds (distance) P-C4' energy: -92.326 flat angles C4'-P-C4' energy: -93.858 flat angles P-C4'-P energy: -64.495 tors. eta vs tors. theta energy: -118.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -1372.861929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.861929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.861929 (E_RNA) where: Base-Base interactions energy: -906.149 where: short stacking energy: -395.603 Base-Backbone interact. energy: -2.624 local terms energy: -464.089165 where: bonds (distance) C4'-P energy: -88.495 bonds (distance) P-C4' energy: -101.722 flat angles C4'-P-C4' energy: -103.301 flat angles P-C4'-P energy: -72.189 tors. eta vs tors. theta energy: -98.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -1255.003418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.003418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.003418 (E_RNA) where: Base-Base interactions energy: -855.914 where: short stacking energy: -371.082 Base-Backbone interact. energy: -1.352 local terms energy: -397.737573 where: bonds (distance) C4'-P energy: -69.292 bonds (distance) P-C4' energy: -82.931 flat angles C4'-P-C4' energy: -92.449 flat angles P-C4'-P energy: -63.512 tors. eta vs tors. theta energy: -89.555 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: 8 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -1134.709022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.709022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.709022 (E_RNA) where: Base-Base interactions energy: -741.195 where: short stacking energy: -330.432 Base-Backbone interact. energy: -2.204 local terms energy: -391.309286 where: bonds (distance) C4'-P energy: -76.985 bonds (distance) P-C4' energy: -81.835 flat angles C4'-P-C4' energy: -102.845 flat angles P-C4'-P energy: -60.332 tors. eta vs tors. theta energy: -69.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -752.373034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.373034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.373034 (E_RNA) where: Base-Base interactions energy: -445.638 where: short stacking energy: -241.392 Base-Backbone interact. energy: 0.795 local terms energy: -307.529892 where: bonds (distance) C4'-P energy: -64.288 bonds (distance) P-C4' energy: -68.216 flat angles C4'-P-C4' energy: -84.586 flat angles P-C4'-P energy: -63.130 tors. eta vs tors. theta energy: -27.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -699.999307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.999307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.999307 (E_RNA) where: Base-Base interactions energy: -391.830 where: short stacking energy: -197.328 Base-Backbone interact. energy: 0.039 local terms energy: -308.208307 where: bonds (distance) C4'-P energy: -95.290 bonds (distance) P-C4' energy: -83.860 flat angles C4'-P-C4' energy: -64.941 flat angles P-C4'-P energy: -51.048 tors. eta vs tors. theta energy: -13.071 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: 1, replica: 6 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1843.542192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1843.542192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1843.542192 (E_RNA) where: Base-Base interactions energy: -1293.648 where: short stacking energy: -552.621 Base-Backbone interact. energy: 1.318 local terms energy: -551.211233 where: bonds (distance) C4'-P energy: -104.857 bonds (distance) P-C4' energy: -99.687 flat angles C4'-P-C4' energy: -127.034 flat angles P-C4'-P energy: -68.039 tors. eta vs tors. theta energy: -151.594 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: 175 Temperature: 0.950000 Total energy: -1722.901175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.901175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.901175 (E_RNA) where: Base-Base interactions energy: -1193.298 where: short stacking energy: -492.629 Base-Backbone interact. energy: -1.627 local terms energy: -527.975599 where: bonds (distance) C4'-P energy: -104.865 bonds (distance) P-C4' energy: -102.188 flat angles C4'-P-C4' energy: -102.628 flat angles P-C4'-P energy: -75.944 tors. eta vs tors. theta energy: -142.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -1652.644098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.644098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.644098 (E_RNA) where: Base-Base interactions energy: -1168.931 where: short stacking energy: -495.842 Base-Backbone interact. energy: 2.685 local terms energy: -486.398016 where: bonds (distance) C4'-P energy: -79.287 bonds (distance) P-C4' energy: -97.547 flat angles C4'-P-C4' energy: -91.043 flat angles P-C4'-P energy: -78.537 tors. eta vs tors. theta energy: -139.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -1516.211246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.211246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.211246 (E_RNA) where: Base-Base interactions energy: -1061.805 where: short stacking energy: -457.548 Base-Backbone interact. energy: -2.191 local terms energy: -452.214641 where: bonds (distance) C4'-P energy: -88.887 bonds (distance) P-C4' energy: -72.149 flat angles C4'-P-C4' energy: -106.603 flat angles P-C4'-P energy: -65.899 tors. eta vs tors. theta energy: -118.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -1528.760515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.760515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.760515 (E_RNA) where: Base-Base interactions energy: -1059.650 where: short stacking energy: -449.173 Base-Backbone interact. energy: -2.413 local terms energy: -466.697503 where: bonds (distance) C4'-P energy: -78.205 bonds (distance) P-C4' energy: -93.390 flat angles C4'-P-C4' energy: -105.864 flat angles P-C4'-P energy: -66.003 tors. eta vs tors. theta energy: -123.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -1393.564135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.564135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.564135 (E_RNA) where: Base-Base interactions energy: -977.201 where: short stacking energy: -402.838 Base-Backbone interact. energy: 0.334 local terms energy: -416.696771 where: bonds (distance) C4'-P energy: -75.286 bonds (distance) P-C4' energy: -93.580 flat angles C4'-P-C4' energy: -91.115 flat angles P-C4'-P energy: -62.004 tors. eta vs tors. theta energy: -94.712 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: 1 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -1241.073467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.073467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.073467 (E_RNA) where: Base-Base interactions energy: -836.101 where: short stacking energy: -328.295 Base-Backbone interact. energy: 2.448 local terms energy: -407.420378 where: bonds (distance) C4'-P energy: -77.198 bonds (distance) P-C4' energy: -90.246 flat angles C4'-P-C4' energy: -104.385 flat angles P-C4'-P energy: -63.356 tors. eta vs tors. theta energy: -72.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -1139.289340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.289340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.289340 (E_RNA) where: Base-Base interactions energy: -757.354 where: short stacking energy: -333.918 Base-Backbone interact. energy: 0.194 local terms energy: -382.129286 where: bonds (distance) C4'-P energy: -90.344 bonds (distance) P-C4' energy: -82.751 flat angles C4'-P-C4' energy: -92.879 flat angles P-C4'-P energy: -36.552 tors. eta vs tors. theta energy: -79.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -737.927966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.927966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.927966 (E_RNA) where: Base-Base interactions energy: -427.835 where: short stacking energy: -218.333 Base-Backbone interact. energy: -0.771 local terms energy: -309.321591 where: bonds (distance) C4'-P energy: -85.135 bonds (distance) P-C4' energy: -74.345 flat angles C4'-P-C4' energy: -94.921 flat angles P-C4'-P energy: -40.473 tors. eta vs tors. theta energy: -14.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -680.438811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.438811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.438811 (E_RNA) where: Base-Base interactions energy: -411.527 where: short stacking energy: -204.810 Base-Backbone interact. energy: -0.467 local terms energy: -268.445271 where: bonds (distance) C4'-P energy: -91.434 bonds (distance) P-C4' energy: -68.172 flat angles C4'-P-C4' energy: -78.658 flat angles P-C4'-P energy: -28.023 tors. eta vs tors. theta energy: -2.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1838.983448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1838.983448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1838.983448 (E_RNA) where: Base-Base interactions energy: -1284.209 where: short stacking energy: -534.355 Base-Backbone interact. energy: -2.405 local terms energy: -552.369583 where: bonds (distance) C4'-P energy: -108.811 bonds (distance) P-C4' energy: -96.629 flat angles C4'-P-C4' energy: -108.895 flat angles P-C4'-P energy: -88.234 tors. eta vs tors. theta energy: -149.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1705.163268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.163268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.163268 (E_RNA) where: Base-Base interactions energy: -1198.124 where: short stacking energy: -503.007 Base-Backbone interact. energy: -4.794 local terms energy: -502.244635 where: bonds (distance) C4'-P energy: -93.895 bonds (distance) P-C4' energy: -95.259 flat angles C4'-P-C4' energy: -113.980 flat angles P-C4'-P energy: -67.199 tors. eta vs tors. theta energy: -131.912 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: 3, replica: 9 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -1639.494303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.494303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.494303 (E_RNA) where: Base-Base interactions energy: -1153.523 where: short stacking energy: -487.258 Base-Backbone interact. energy: 5.665 local terms energy: -491.636678 where: bonds (distance) C4'-P energy: -71.962 bonds (distance) P-C4' energy: -94.381 flat angles C4'-P-C4' energy: -103.187 flat angles P-C4'-P energy: -84.602 tors. eta vs tors. theta energy: -137.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -1527.782738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.782738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.782738 (E_RNA) where: Base-Base interactions energy: -1060.786 where: short stacking energy: -460.790 Base-Backbone interact. energy: -2.308 local terms energy: -464.688064 where: bonds (distance) C4'-P energy: -84.746 bonds (distance) P-C4' energy: -83.991 flat angles C4'-P-C4' energy: -99.298 flat angles P-C4'-P energy: -65.149 tors. eta vs tors. theta energy: -131.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -1552.774262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.774262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.774262 (E_RNA) where: Base-Base interactions energy: -1079.375 where: short stacking energy: -467.475 Base-Backbone interact. energy: 0.484 local terms energy: -473.882862 where: bonds (distance) C4'-P energy: -85.778 bonds (distance) P-C4' energy: -81.591 flat angles C4'-P-C4' energy: -107.460 flat angles P-C4'-P energy: -69.053 tors. eta vs tors. theta energy: -130.001 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: 4 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -1447.159460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.159460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.159460 (E_RNA) where: Base-Base interactions energy: -1015.723 where: short stacking energy: -428.045 Base-Backbone interact. energy: -1.945 local terms energy: -429.491186 where: bonds (distance) C4'-P energy: -84.241 bonds (distance) P-C4' energy: -86.088 flat angles C4'-P-C4' energy: -93.894 flat angles P-C4'-P energy: -62.929 tors. eta vs tors. theta energy: -102.339 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: 1 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -1251.578154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.578154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.578154 (E_RNA) where: Base-Base interactions energy: -859.691 where: short stacking energy: -360.485 Base-Backbone interact. energy: 1.130 local terms energy: -393.016915 where: bonds (distance) C4'-P energy: -78.006 bonds (distance) P-C4' energy: -93.068 flat angles C4'-P-C4' energy: -85.421 flat angles P-C4'-P energy: -64.922 tors. eta vs tors. theta energy: -71.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -1134.830513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.830513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.830513 (E_RNA) where: Base-Base interactions energy: -770.520 where: short stacking energy: -360.778 Base-Backbone interact. energy: -3.072 local terms energy: -361.237931 where: bonds (distance) C4'-P energy: -78.311 bonds (distance) P-C4' energy: -85.132 flat angles C4'-P-C4' energy: -78.040 flat angles P-C4'-P energy: -34.552 tors. eta vs tors. theta energy: -85.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -768.009492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.009492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.009492 (E_RNA) where: Base-Base interactions energy: -448.233 where: short stacking energy: -214.082 Base-Backbone interact. energy: 3.668 local terms energy: -323.444151 where: bonds (distance) C4'-P energy: -84.831 bonds (distance) P-C4' energy: -88.020 flat angles C4'-P-C4' energy: -76.876 flat angles P-C4'-P energy: -54.533 tors. eta vs tors. theta energy: -19.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -696.492107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.492107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.492107 (E_RNA) where: Base-Base interactions energy: -394.753 where: short stacking energy: -177.967 Base-Backbone interact. energy: -1.191 local terms energy: -300.547750 where: bonds (distance) C4'-P energy: -81.098 bonds (distance) P-C4' energy: -85.855 flat angles C4'-P-C4' energy: -76.118 flat angles P-C4'-P energy: -44.531 tors. eta vs tors. theta energy: -12.946 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: 6 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1841.899739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.899739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.899739 (E_RNA) where: Base-Base interactions energy: -1314.055 where: short stacking energy: -547.026 Base-Backbone interact. energy: -1.181 local terms energy: -526.664152 where: bonds (distance) C4'-P energy: -100.398 bonds (distance) P-C4' energy: -92.194 flat angles C4'-P-C4' energy: -114.564 flat angles P-C4'-P energy: -73.591 tors. eta vs tors. theta energy: -145.917 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: 5 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1730.247092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.247092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.247092 (E_RNA) where: Base-Base interactions energy: -1207.251 where: short stacking energy: -512.603 Base-Backbone interact. energy: -2.486 local terms energy: -520.510750 where: bonds (distance) C4'-P energy: -94.175 bonds (distance) P-C4' energy: -97.882 flat angles C4'-P-C4' energy: -105.251 flat angles P-C4'-P energy: -82.708 tors. eta vs tors. theta energy: -140.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -1655.342584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.342584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.342584 (E_RNA) where: Base-Base interactions energy: -1141.943 where: short stacking energy: -508.187 Base-Backbone interact. energy: 5.865 local terms energy: -519.265135 where: bonds (distance) C4'-P energy: -97.098 bonds (distance) P-C4' energy: -89.903 flat angles C4'-P-C4' energy: -99.758 flat angles P-C4'-P energy: -83.555 tors. eta vs tors. theta energy: -148.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -1530.109214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.109214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.109214 (E_RNA) where: Base-Base interactions energy: -1054.355 where: short stacking energy: -442.412 Base-Backbone interact. energy: -2.751 local terms energy: -473.002937 where: bonds (distance) C4'-P energy: -87.174 bonds (distance) P-C4' energy: -104.393 flat angles C4'-P-C4' energy: -105.304 flat angles P-C4'-P energy: -57.811 tors. eta vs tors. theta energy: -118.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -1550.306021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.306021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.306021 (E_RNA) where: Base-Base interactions energy: -1105.158 where: short stacking energy: -480.300 Base-Backbone interact. energy: -1.040 local terms energy: -444.108892 where: bonds (distance) C4'-P energy: -77.989 bonds (distance) P-C4' energy: -78.458 flat angles C4'-P-C4' energy: -99.076 flat angles P-C4'-P energy: -65.751 tors. eta vs tors. theta energy: -122.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -1488.356475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.356475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.356475 (E_RNA) where: Base-Base interactions energy: -1034.225 where: short stacking energy: -455.124 Base-Backbone interact. energy: -0.809 local terms energy: -453.321852 where: bonds (distance) C4'-P energy: -92.983 bonds (distance) P-C4' energy: -79.884 flat angles C4'-P-C4' energy: -98.718 flat angles P-C4'-P energy: -49.856 tors. eta vs tors. theta energy: -131.882 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: 7, replica: 1 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -1289.827153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.827153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.827153 (E_RNA) where: Base-Base interactions energy: -876.626 where: short stacking energy: -376.354 Base-Backbone interact. energy: -1.555 local terms energy: -411.646773 where: bonds (distance) C4'-P energy: -66.410 bonds (distance) P-C4' energy: -88.141 flat angles C4'-P-C4' energy: -94.652 flat angles P-C4'-P energy: -62.252 tors. eta vs tors. theta energy: -100.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -1142.863964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.863964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.863964 (E_RNA) where: Base-Base interactions energy: -776.280 where: short stacking energy: -357.606 Base-Backbone interact. energy: -0.912 local terms energy: -365.672426 where: bonds (distance) C4'-P energy: -51.126 bonds (distance) P-C4' energy: -83.451 flat angles C4'-P-C4' energy: -82.268 flat angles P-C4'-P energy: -61.878 tors. eta vs tors. theta energy: -86.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -744.102871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.102871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.102871 (E_RNA) where: Base-Base interactions energy: -436.312 where: short stacking energy: -216.431 Base-Backbone interact. energy: 0.874 local terms energy: -308.664590 where: bonds (distance) C4'-P energy: -94.984 bonds (distance) P-C4' energy: -75.534 flat angles C4'-P-C4' energy: -67.064 flat angles P-C4'-P energy: -42.172 tors. eta vs tors. theta energy: -28.911 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: 10 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -719.922906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.922906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.922906 (E_RNA) where: Base-Base interactions energy: -451.944 where: short stacking energy: -223.975 Base-Backbone interact. energy: 1.931 local terms energy: -269.909754 where: bonds (distance) C4'-P energy: -68.141 bonds (distance) P-C4' energy: -78.958 flat angles C4'-P-C4' energy: -72.916 flat angles P-C4'-P energy: -25.533 tors. eta vs tors. theta energy: -24.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1829.790169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.790169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.790169 (E_RNA) where: Base-Base interactions energy: -1288.070 where: short stacking energy: -547.914 Base-Backbone interact. energy: -1.411 local terms energy: -540.308947 where: bonds (distance) C4'-P energy: -99.483 bonds (distance) P-C4' energy: -98.242 flat angles C4'-P-C4' energy: -111.886 flat angles P-C4'-P energy: -75.029 tors. eta vs tors. theta energy: -155.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1720.195984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.195984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.195984 (E_RNA) where: Base-Base interactions energy: -1218.068 where: short stacking energy: -518.245 Base-Backbone interact. energy: -3.467 local terms energy: -498.661136 where: bonds (distance) C4'-P energy: -92.179 bonds (distance) P-C4' energy: -97.962 flat angles C4'-P-C4' energy: -103.139 flat angles P-C4'-P energy: -74.571 tors. eta vs tors. theta energy: -130.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1680.541420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.541420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.541420 (E_RNA) where: Base-Base interactions energy: -1172.061 where: short stacking energy: -514.060 Base-Backbone interact. energy: 0.122 local terms energy: -508.602511 where: bonds (distance) C4'-P energy: -84.359 bonds (distance) P-C4' energy: -107.621 flat angles C4'-P-C4' energy: -99.331 flat angles P-C4'-P energy: -69.750 tors. eta vs tors. theta energy: -147.543 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: 178 Temperature: 1.050000 Total energy: -1530.751756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.751756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.751756 (E_RNA) where: Base-Base interactions energy: -1041.000 where: short stacking energy: -446.569 Base-Backbone interact. energy: -0.589 local terms energy: -489.162930 where: bonds (distance) C4'-P energy: -97.144 bonds (distance) P-C4' energy: -89.535 flat angles C4'-P-C4' energy: -113.603 flat angles P-C4'-P energy: -60.530 tors. eta vs tors. theta energy: -128.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -1521.142865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.142865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.142865 (E_RNA) where: Base-Base interactions energy: -1071.007 where: short stacking energy: -433.134 Base-Backbone interact. energy: -1.300 local terms energy: -448.836558 where: bonds (distance) C4'-P energy: -82.998 bonds (distance) P-C4' energy: -82.583 flat angles C4'-P-C4' energy: -96.591 flat angles P-C4'-P energy: -61.576 tors. eta vs tors. theta energy: -125.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -1442.464727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.464727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.464727 (E_RNA) where: Base-Base interactions energy: -1015.012 where: short stacking energy: -418.682 Base-Backbone interact. energy: -1.579 local terms energy: -425.874071 where: bonds (distance) C4'-P energy: -79.711 bonds (distance) P-C4' energy: -80.871 flat angles C4'-P-C4' energy: -92.948 flat angles P-C4'-P energy: -50.553 tors. eta vs tors. theta energy: -121.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -1185.188772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.188772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.188772 (E_RNA) where: Base-Base interactions energy: -774.184 where: short stacking energy: -347.034 Base-Backbone interact. energy: -0.315 local terms energy: -410.689240 where: bonds (distance) C4'-P energy: -83.289 bonds (distance) P-C4' energy: -85.287 flat angles C4'-P-C4' energy: -100.059 flat angles P-C4'-P energy: -53.270 tors. eta vs tors. theta energy: -88.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -1221.385555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.385555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.385555 (E_RNA) where: Base-Base interactions energy: -816.122 where: short stacking energy: -367.279 Base-Backbone interact. energy: -1.683 local terms energy: -403.580075 where: bonds (distance) C4'-P energy: -72.410 bonds (distance) P-C4' energy: -81.153 flat angles C4'-P-C4' energy: -91.467 flat angles P-C4'-P energy: -70.011 tors. eta vs tors. theta energy: -88.540 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: 178 Temperature: 1.300000 Total energy: -759.868761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.868761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.868761 (E_RNA) where: Base-Base interactions energy: -434.783 where: short stacking energy: -226.009 Base-Backbone interact. energy: -2.033 local terms energy: -323.052315 where: bonds (distance) C4'-P energy: -73.023 bonds (distance) P-C4' energy: -82.325 flat angles C4'-P-C4' energy: -98.928 flat angles P-C4'-P energy: -40.467 tors. eta vs tors. theta energy: -28.310 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: 2 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -683.751440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.751440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.751440 (E_RNA) where: Base-Base interactions energy: -391.436 where: short stacking energy: -199.487 Base-Backbone interact. energy: -0.066 local terms energy: -292.250178 where: bonds (distance) C4'-P energy: -79.786 bonds (distance) P-C4' energy: -68.889 flat angles C4'-P-C4' energy: -78.666 flat angles P-C4'-P energy: -51.010 tors. eta vs tors. theta energy: -13.899 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: 6 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1836.721369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.721369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.721369 (E_RNA) where: Base-Base interactions energy: -1279.544 where: short stacking energy: -560.680 Base-Backbone interact. energy: 0.978 local terms energy: -558.155233 where: bonds (distance) C4'-P energy: -99.834 bonds (distance) P-C4' energy: -99.265 flat angles C4'-P-C4' energy: -120.930 flat angles P-C4'-P energy: -84.851 tors. eta vs tors. theta energy: -153.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1750.453770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.453770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.453770 (E_RNA) where: Base-Base interactions energy: -1221.066 where: short stacking energy: -520.692 Base-Backbone interact. energy: -2.330 local terms energy: -527.057159 where: bonds (distance) C4'-P energy: -86.257 bonds (distance) P-C4' energy: -104.494 flat angles C4'-P-C4' energy: -119.434 flat angles P-C4'-P energy: -73.793 tors. eta vs tors. theta energy: -143.079 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: 9 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1659.448753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.448753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.448753 (E_RNA) where: Base-Base interactions energy: -1174.184 where: short stacking energy: -493.895 Base-Backbone interact. energy: 1.877 local terms energy: -487.141608 where: bonds (distance) C4'-P energy: -91.969 bonds (distance) P-C4' energy: -83.738 flat angles C4'-P-C4' energy: -93.899 flat angles P-C4'-P energy: -75.317 tors. eta vs tors. theta energy: -142.218 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: 4, replica: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -1617.427884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.427884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.427884 (E_RNA) where: Base-Base interactions energy: -1126.002 where: short stacking energy: -479.147 Base-Backbone interact. energy: -1.261 local terms energy: -490.164929 where: bonds (distance) C4'-P energy: -86.177 bonds (distance) P-C4' energy: -98.554 flat angles C4'-P-C4' energy: -100.377 flat angles P-C4'-P energy: -68.480 tors. eta vs tors. theta energy: -136.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -1504.353962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.353962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.353962 (E_RNA) where: Base-Base interactions energy: -1043.461 where: short stacking energy: -419.694 Base-Backbone interact. energy: -2.271 local terms energy: -458.621906 where: bonds (distance) C4'-P energy: -79.125 bonds (distance) P-C4' energy: -98.621 flat angles C4'-P-C4' energy: -91.950 flat angles P-C4'-P energy: -74.296 tors. eta vs tors. theta energy: -114.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -1457.102444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1457.102444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1457.102444 (E_RNA) where: Base-Base interactions energy: -1025.111 where: short stacking energy: -419.882 Base-Backbone interact. energy: -2.387 local terms energy: -429.604556 where: bonds (distance) C4'-P energy: -90.153 bonds (distance) P-C4' energy: -83.856 flat angles C4'-P-C4' energy: -85.992 flat angles P-C4'-P energy: -56.346 tors. eta vs tors. theta energy: -113.258 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: 8 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -1164.012362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.012362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.012362 (E_RNA) where: Base-Base interactions energy: -772.706 where: short stacking energy: -338.722 Base-Backbone interact. energy: -0.651 local terms energy: -390.655228 where: bonds (distance) C4'-P energy: -79.060 bonds (distance) P-C4' energy: -90.153 flat angles C4'-P-C4' energy: -66.961 flat angles P-C4'-P energy: -55.325 tors. eta vs tors. theta energy: -99.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -1205.786218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.786218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.786218 (E_RNA) where: Base-Base interactions energy: -815.163 where: short stacking energy: -337.575 Base-Backbone interact. energy: -1.994 local terms energy: -388.628965 where: bonds (distance) C4'-P energy: -87.699 bonds (distance) P-C4' energy: -82.623 flat angles C4'-P-C4' energy: -90.164 flat angles P-C4'-P energy: -51.228 tors. eta vs tors. theta energy: -76.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -793.994058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.994058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.994058 (E_RNA) where: Base-Base interactions energy: -462.197 where: short stacking energy: -223.784 Base-Backbone interact. energy: -1.681 local terms energy: -330.115538 where: bonds (distance) C4'-P energy: -85.592 bonds (distance) P-C4' energy: -84.688 flat angles C4'-P-C4' energy: -75.054 flat angles P-C4'-P energy: -44.225 tors. eta vs tors. theta energy: -40.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -702.167880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.167880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.167880 (E_RNA) where: Base-Base interactions energy: -406.146 where: short stacking energy: -180.497 Base-Backbone interact. energy: 1.691 local terms energy: -297.712682 where: bonds (distance) C4'-P energy: -78.720 bonds (distance) P-C4' energy: -84.821 flat angles C4'-P-C4' energy: -69.827 flat angles P-C4'-P energy: -49.626 tors. eta vs tors. theta energy: -14.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1802.204442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.204442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.204442 (E_RNA) where: Base-Base interactions energy: -1261.783 where: short stacking energy: -552.826 Base-Backbone interact. energy: -3.992 local terms energy: -536.429328 where: bonds (distance) C4'-P energy: -97.682 bonds (distance) P-C4' energy: -100.590 flat angles C4'-P-C4' energy: -115.571 flat angles P-C4'-P energy: -72.542 tors. eta vs tors. theta energy: -150.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1736.484382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.484382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.484382 (E_RNA) where: Base-Base interactions energy: -1229.701 where: short stacking energy: -528.447 Base-Backbone interact. energy: 0.575 local terms energy: -507.359205 where: bonds (distance) C4'-P energy: -68.987 bonds (distance) P-C4' energy: -95.527 flat angles C4'-P-C4' energy: -116.083 flat angles P-C4'-P energy: -81.510 tors. eta vs tors. theta energy: -145.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1669.304064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.304064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.304064 (E_RNA) where: Base-Base interactions energy: -1180.343 where: short stacking energy: -513.802 Base-Backbone interact. energy: -0.093 local terms energy: -488.867813 where: bonds (distance) C4'-P energy: -92.827 bonds (distance) P-C4' energy: -93.592 flat angles C4'-P-C4' energy: -94.723 flat angles P-C4'-P energy: -73.594 tors. eta vs tors. theta energy: -134.133 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: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -1562.925163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.925163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.925163 (E_RNA) where: Base-Base interactions energy: -1108.984 where: short stacking energy: -472.631 Base-Backbone interact. energy: -3.191 local terms energy: -450.750045 where: bonds (distance) C4'-P energy: -82.200 bonds (distance) P-C4' energy: -86.728 flat angles C4'-P-C4' energy: -93.566 flat angles P-C4'-P energy: -63.349 tors. eta vs tors. theta energy: -124.908 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: 180 Temperature: 1.100000 Total energy: -1500.985175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.985175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.985175 (E_RNA) where: Base-Base interactions energy: -1017.322 where: short stacking energy: -476.481 Base-Backbone interact. energy: -0.949 local terms energy: -482.715129 where: bonds (distance) C4'-P energy: -94.618 bonds (distance) P-C4' energy: -92.616 flat angles C4'-P-C4' energy: -103.584 flat angles P-C4'-P energy: -68.564 tors. eta vs tors. theta energy: -123.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -1466.297956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.297956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.297956 (E_RNA) where: Base-Base interactions energy: -1033.820 where: short stacking energy: -426.256 Base-Backbone interact. energy: -2.419 local terms energy: -430.059105 where: bonds (distance) C4'-P energy: -83.456 bonds (distance) P-C4' energy: -88.613 flat angles C4'-P-C4' energy: -102.157 flat angles P-C4'-P energy: -53.127 tors. eta vs tors. theta energy: -102.705 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: 1 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -1281.587309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.587309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.587309 (E_RNA) where: Base-Base interactions energy: -871.790 where: short stacking energy: -390.302 Base-Backbone interact. energy: -1.930 local terms energy: -407.867800 where: bonds (distance) C4'-P energy: -77.067 bonds (distance) P-C4' energy: -90.763 flat angles C4'-P-C4' energy: -96.462 flat angles P-C4'-P energy: -41.941 tors. eta vs tors. theta energy: -101.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -1104.758480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.758480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.758480 (E_RNA) where: Base-Base interactions energy: -742.844 where: short stacking energy: -325.451 Base-Backbone interact. energy: 2.290 local terms energy: -364.203968 where: bonds (distance) C4'-P energy: -83.120 bonds (distance) P-C4' energy: -77.135 flat angles C4'-P-C4' energy: -78.742 flat angles P-C4'-P energy: -55.932 tors. eta vs tors. theta energy: -69.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -696.903265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.903265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.903265 (E_RNA) where: Base-Base interactions energy: -380.169 where: short stacking energy: -210.585 Base-Backbone interact. energy: 1.311 local terms energy: -318.045542 where: bonds (distance) C4'-P energy: -66.187 bonds (distance) P-C4' energy: -95.306 flat angles C4'-P-C4' energy: -77.674 flat angles P-C4'-P energy: -45.870 tors. eta vs tors. theta energy: -33.008 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: 180 Temperature: 1.350000 Total energy: -677.837621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.837621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.837621 (E_RNA) where: Base-Base interactions energy: -398.627 where: short stacking energy: -207.658 Base-Backbone interact. energy: 2.251 local terms energy: -281.461832 where: bonds (distance) C4'-P energy: -66.143 bonds (distance) P-C4' energy: -80.059 flat angles C4'-P-C4' energy: -70.583 flat angles P-C4'-P energy: -47.940 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: 1, replica: 6 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1834.856412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.856412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.856412 (E_RNA) where: Base-Base interactions energy: -1301.825 where: short stacking energy: -542.661 Base-Backbone interact. energy: -3.928 local terms energy: -529.103417 where: bonds (distance) C4'-P energy: -89.363 bonds (distance) P-C4' energy: -101.066 flat angles C4'-P-C4' energy: -114.164 flat angles P-C4'-P energy: -79.074 tors. eta vs tors. theta energy: -145.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1734.224358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.224358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.224358 (E_RNA) where: Base-Base interactions energy: -1220.187 where: short stacking energy: -511.944 Base-Backbone interact. energy: -4.932 local terms energy: -509.105780 where: bonds (distance) C4'-P energy: -92.330 bonds (distance) P-C4' energy: -88.775 flat angles C4'-P-C4' energy: -117.340 flat angles P-C4'-P energy: -69.161 tors. eta vs tors. theta energy: -141.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -1670.272362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.272362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.272362 (E_RNA) where: Base-Base interactions energy: -1175.212 where: short stacking energy: -501.427 Base-Backbone interact. energy: -1.008 local terms energy: -494.052264 where: bonds (distance) C4'-P energy: -100.614 bonds (distance) P-C4' energy: -94.019 flat angles C4'-P-C4' energy: -99.923 flat angles P-C4'-P energy: -65.063 tors. eta vs tors. theta energy: -134.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -1579.890914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.890914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.890914 (E_RNA) where: Base-Base interactions energy: -1102.165 where: short stacking energy: -464.820 Base-Backbone interact. energy: 1.649 local terms energy: -479.374682 where: bonds (distance) C4'-P energy: -95.341 bonds (distance) P-C4' energy: -83.682 flat angles C4'-P-C4' energy: -106.947 flat angles P-C4'-P energy: -65.045 tors. eta vs tors. theta energy: -128.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -1485.111974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.111974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.111974 (E_RNA) where: Base-Base interactions energy: -1021.786 where: short stacking energy: -430.351 Base-Backbone interact. energy: -1.157 local terms energy: -462.168818 where: bonds (distance) C4'-P energy: -96.529 bonds (distance) P-C4' energy: -88.268 flat angles C4'-P-C4' energy: -94.890 flat angles P-C4'-P energy: -61.757 tors. eta vs tors. theta energy: -120.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -1456.562952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1456.562952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1456.562952 (E_RNA) where: Base-Base interactions energy: -1020.424 where: short stacking energy: -414.330 Base-Backbone interact. energy: -2.592 local terms energy: -433.546629 where: bonds (distance) C4'-P energy: -82.214 bonds (distance) P-C4' energy: -92.141 flat angles C4'-P-C4' energy: -98.194 flat angles P-C4'-P energy: -55.083 tors. eta vs tors. theta energy: -105.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -1223.275602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.275602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.275602 (E_RNA) where: Base-Base interactions energy: -831.608 where: short stacking energy: -369.774 Base-Backbone interact. energy: -0.867 local terms energy: -390.799987 where: bonds (distance) C4'-P energy: -86.113 bonds (distance) P-C4' energy: -86.255 flat angles C4'-P-C4' energy: -86.137 flat angles P-C4'-P energy: -55.144 tors. eta vs tors. theta energy: -77.151 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: 181 Temperature: 1.250000 Total energy: -1167.691508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.691508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.691508 (E_RNA) where: Base-Base interactions energy: -780.793 where: short stacking energy: -335.504 Base-Backbone interact. energy: -1.772 local terms energy: -385.126066 where: bonds (distance) C4'-P energy: -83.131 bonds (distance) P-C4' energy: -89.113 flat angles C4'-P-C4' energy: -77.676 flat angles P-C4'-P energy: -67.084 tors. eta vs tors. theta energy: -68.121 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: 2 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -700.551285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.551285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.551285 (E_RNA) where: Base-Base interactions energy: -417.662 where: short stacking energy: -199.352 Base-Backbone interact. energy: 0.804 local terms energy: -283.693853 where: bonds (distance) C4'-P energy: -65.851 bonds (distance) P-C4' energy: -82.462 flat angles C4'-P-C4' energy: -65.086 flat angles P-C4'-P energy: -52.598 tors. eta vs tors. theta energy: -17.697 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: 181 Temperature: 1.350000 Total energy: -633.177528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.177528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.177528 (E_RNA) where: Base-Base interactions energy: -369.303 where: short stacking energy: -183.800 Base-Backbone interact. energy: -0.615 local terms energy: -263.259343 where: bonds (distance) C4'-P energy: -74.442 bonds (distance) P-C4' energy: -78.890 flat angles C4'-P-C4' energy: -67.869 flat angles P-C4'-P energy: -24.578 tors. eta vs tors. theta energy: -17.479 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: 6 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1816.611928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1816.611928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1816.611928 (E_RNA) where: Base-Base interactions energy: -1287.970 where: short stacking energy: -543.677 Base-Backbone interact. energy: -1.011 local terms energy: -527.631109 where: bonds (distance) C4'-P energy: -95.646 bonds (distance) P-C4' energy: -106.033 flat angles C4'-P-C4' energy: -106.746 flat angles P-C4'-P energy: -65.839 tors. eta vs tors. theta energy: -153.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1756.195048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.195048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.195048 (E_RNA) where: Base-Base interactions energy: -1250.159 where: short stacking energy: -511.104 Base-Backbone interact. energy: 2.152 local terms energy: -508.187514 where: bonds (distance) C4'-P energy: -89.452 bonds (distance) P-C4' energy: -97.618 flat angles C4'-P-C4' energy: -106.280 flat angles P-C4'-P energy: -70.076 tors. eta vs tors. theta energy: -144.762 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: 3, replica: 9 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1653.771155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.771155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.771155 (E_RNA) where: Base-Base interactions energy: -1137.769 where: short stacking energy: -485.888 Base-Backbone interact. energy: -3.154 local terms energy: -512.847589 where: bonds (distance) C4'-P energy: -90.639 bonds (distance) P-C4' energy: -91.616 flat angles C4'-P-C4' energy: -114.798 flat angles P-C4'-P energy: -86.145 tors. eta vs tors. theta energy: -129.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -1584.533800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.533800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.533800 (E_RNA) where: Base-Base interactions energy: -1113.704 where: short stacking energy: -456.749 Base-Backbone interact. energy: 3.703 local terms energy: -474.532402 where: bonds (distance) C4'-P energy: -101.561 bonds (distance) P-C4' energy: -78.739 flat angles C4'-P-C4' energy: -101.635 flat angles P-C4'-P energy: -63.793 tors. eta vs tors. theta energy: -128.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -1488.179451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.179451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.179451 (E_RNA) where: Base-Base interactions energy: -1005.166 where: short stacking energy: -447.312 Base-Backbone interact. energy: -2.295 local terms energy: -480.718925 where: bonds (distance) C4'-P energy: -89.895 bonds (distance) P-C4' energy: -89.825 flat angles C4'-P-C4' energy: -110.974 flat angles P-C4'-P energy: -63.270 tors. eta vs tors. theta energy: -126.754 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: 182 Temperature: 1.150000 Total energy: -1430.301957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.301957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.301957 (E_RNA) where: Base-Base interactions energy: -997.024 where: short stacking energy: -426.127 Base-Backbone interact. energy: -1.070 local terms energy: -432.207802 where: bonds (distance) C4'-P energy: -81.883 bonds (distance) P-C4' energy: -81.245 flat angles C4'-P-C4' energy: -88.238 flat angles P-C4'-P energy: -68.430 tors. eta vs tors. theta energy: -112.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -1225.069496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.069496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.069496 (E_RNA) where: Base-Base interactions energy: -828.331 where: short stacking energy: -354.454 Base-Backbone interact. energy: 0.217 local terms energy: -396.955092 where: bonds (distance) C4'-P energy: -78.829 bonds (distance) P-C4' energy: -83.132 flat angles C4'-P-C4' energy: -97.579 flat angles P-C4'-P energy: -52.074 tors. eta vs tors. theta energy: -85.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -1104.679622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.679622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.679622 (E_RNA) where: Base-Base interactions energy: -723.203 where: short stacking energy: -313.849 Base-Backbone interact. energy: -2.573 local terms energy: -378.903929 where: bonds (distance) C4'-P energy: -88.414 bonds (distance) P-C4' energy: -87.299 flat angles C4'-P-C4' energy: -76.128 flat angles P-C4'-P energy: -54.817 tors. eta vs tors. theta energy: -72.246 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: 9, replica: 2 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -711.117439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.117439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.117439 (E_RNA) where: Base-Base interactions energy: -426.137 where: short stacking energy: -199.647 Base-Backbone interact. energy: -1.400 local terms energy: -283.580284 where: bonds (distance) C4'-P energy: -88.040 bonds (distance) P-C4' energy: -81.764 flat angles C4'-P-C4' energy: -68.538 flat angles P-C4'-P energy: -26.107 tors. eta vs tors. theta energy: -19.130 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: 182 Temperature: 1.350000 Total energy: -625.082227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.082227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.082227 (E_RNA) where: Base-Base interactions energy: -357.624 where: short stacking energy: -179.116 Base-Backbone interact. energy: 2.764 local terms energy: -270.221874 where: bonds (distance) C4'-P energy: -76.904 bonds (distance) P-C4' energy: -72.900 flat angles C4'-P-C4' energy: -67.355 flat angles P-C4'-P energy: -50.096 tors. eta vs tors. theta energy: -2.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1841.253759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1841.253759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1841.253759 (E_RNA) where: Base-Base interactions energy: -1283.447 where: short stacking energy: -542.848 Base-Backbone interact. energy: -2.564 local terms energy: -555.242701 where: bonds (distance) C4'-P energy: -97.759 bonds (distance) P-C4' energy: -104.763 flat angles C4'-P-C4' energy: -116.538 flat angles P-C4'-P energy: -84.515 tors. eta vs tors. theta energy: -151.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1750.900518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.900518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.900518 (E_RNA) where: Base-Base interactions energy: -1242.483 where: short stacking energy: -521.104 Base-Backbone interact. energy: -1.562 local terms energy: -506.854950 where: bonds (distance) C4'-P energy: -87.757 bonds (distance) P-C4' energy: -93.048 flat angles C4'-P-C4' energy: -109.339 flat angles P-C4'-P energy: -77.114 tors. eta vs tors. theta energy: -139.597 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: 3, replica: 9 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1652.874852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.874852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.874852 (E_RNA) where: Base-Base interactions energy: -1158.305 where: short stacking energy: -499.608 Base-Backbone interact. energy: -0.176 local terms energy: -494.393836 where: bonds (distance) C4'-P energy: -89.000 bonds (distance) P-C4' energy: -87.895 flat angles C4'-P-C4' energy: -110.137 flat angles P-C4'-P energy: -75.820 tors. eta vs tors. theta energy: -131.542 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: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -1620.152519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.152519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.152519 (E_RNA) where: Base-Base interactions energy: -1116.593 where: short stacking energy: -485.350 Base-Backbone interact. energy: -1.159 local terms energy: -502.400199 where: bonds (distance) C4'-P energy: -88.141 bonds (distance) P-C4' energy: -92.639 flat angles C4'-P-C4' energy: -105.880 flat angles P-C4'-P energy: -71.268 tors. eta vs tors. theta energy: -144.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -1467.468115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.468115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.468115 (E_RNA) where: Base-Base interactions energy: -1013.721 where: short stacking energy: -424.902 Base-Backbone interact. energy: -0.190 local terms energy: -453.556907 where: bonds (distance) C4'-P energy: -77.517 bonds (distance) P-C4' energy: -99.613 flat angles C4'-P-C4' energy: -90.345 flat angles P-C4'-P energy: -70.183 tors. eta vs tors. theta energy: -115.898 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: 6, replica: 7 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -1415.945616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.945616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.945616 (E_RNA) where: Base-Base interactions energy: -988.940 where: short stacking energy: -416.753 Base-Backbone interact. energy: 4.867 local terms energy: -431.872680 where: bonds (distance) C4'-P energy: -85.323 bonds (distance) P-C4' energy: -90.355 flat angles C4'-P-C4' energy: -81.947 flat angles P-C4'-P energy: -57.088 tors. eta vs tors. theta energy: -117.160 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: 1 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -1224.594420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.594420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.594420 (E_RNA) where: Base-Base interactions energy: -817.526 where: short stacking energy: -337.212 Base-Backbone interact. energy: -3.608 local terms energy: -403.460368 where: bonds (distance) C4'-P energy: -91.463 bonds (distance) P-C4' energy: -90.987 flat angles C4'-P-C4' energy: -94.855 flat angles P-C4'-P energy: -59.014 tors. eta vs tors. theta energy: -67.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -1170.702860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.702860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.702860 (E_RNA) where: Base-Base interactions energy: -791.637 where: short stacking energy: -363.722 Base-Backbone interact. energy: -3.535 local terms energy: -375.531623 where: bonds (distance) C4'-P energy: -74.239 bonds (distance) P-C4' energy: -72.289 flat angles C4'-P-C4' energy: -95.504 flat angles P-C4'-P energy: -47.913 tors. eta vs tors. theta energy: -85.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -725.063671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.063671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.063671 (E_RNA) where: Base-Base interactions energy: -420.201 where: short stacking energy: -212.285 Base-Backbone interact. energy: -0.329 local terms energy: -304.534464 where: bonds (distance) C4'-P energy: -65.905 bonds (distance) P-C4' energy: -94.107 flat angles C4'-P-C4' energy: -63.972 flat angles P-C4'-P energy: -50.340 tors. eta vs tors. theta energy: -30.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -669.020876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.020876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.020876 (E_RNA) where: Base-Base interactions energy: -386.727 where: short stacking energy: -201.677 Base-Backbone interact. energy: 2.321 local terms energy: -284.614947 where: bonds (distance) C4'-P energy: -80.789 bonds (distance) P-C4' energy: -81.877 flat angles C4'-P-C4' energy: -69.075 flat angles P-C4'-P energy: -40.907 tors. eta vs tors. theta energy: -11.966 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: 6 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1831.480016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1831.480016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1831.480016 (E_RNA) where: Base-Base interactions energy: -1292.600 where: short stacking energy: -560.915 Base-Backbone interact. energy: -1.846 local terms energy: -537.033801 where: bonds (distance) C4'-P energy: -102.691 bonds (distance) P-C4' energy: -96.626 flat angles C4'-P-C4' energy: -108.584 flat angles P-C4'-P energy: -76.151 tors. eta vs tors. theta energy: -152.983 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: 2, replica: 5 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1740.167309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.167309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.167309 (E_RNA) where: Base-Base interactions energy: -1213.637 where: short stacking energy: -512.336 Base-Backbone interact. energy: -0.760 local terms energy: -525.771176 where: bonds (distance) C4'-P energy: -93.026 bonds (distance) P-C4' energy: -99.088 flat angles C4'-P-C4' energy: -115.301 flat angles P-C4'-P energy: -76.628 tors. eta vs tors. theta energy: -141.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1643.826893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.826893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.826893 (E_RNA) where: Base-Base interactions energy: -1161.564 where: short stacking energy: -498.614 Base-Backbone interact. energy: 0.400 local terms energy: -482.663310 where: bonds (distance) C4'-P energy: -94.157 bonds (distance) P-C4' energy: -81.353 flat angles C4'-P-C4' energy: -98.869 flat angles P-C4'-P energy: -78.873 tors. eta vs tors. theta energy: -129.411 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: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -1605.148463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.148463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.148463 (E_RNA) where: Base-Base interactions energy: -1122.150 where: short stacking energy: -496.027 Base-Backbone interact. energy: -1.647 local terms energy: -481.352109 where: bonds (distance) C4'-P energy: -79.247 bonds (distance) P-C4' energy: -87.918 flat angles C4'-P-C4' energy: -108.907 flat angles P-C4'-P energy: -65.508 tors. eta vs tors. theta energy: -139.771 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: 4 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -1410.471724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.471724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.471724 (E_RNA) where: Base-Base interactions energy: -980.077 where: short stacking energy: -416.309 Base-Backbone interact. energy: -0.875 local terms energy: -429.519629 where: bonds (distance) C4'-P energy: -81.494 bonds (distance) P-C4' energy: -87.951 flat angles C4'-P-C4' energy: -84.593 flat angles P-C4'-P energy: -63.828 tors. eta vs tors. theta energy: -111.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -1416.971186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.971186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.971186 (E_RNA) where: Base-Base interactions energy: -990.294 where: short stacking energy: -404.969 Base-Backbone interact. energy: -0.597 local terms energy: -426.079424 where: bonds (distance) C4'-P energy: -72.219 bonds (distance) P-C4' energy: -87.771 flat angles C4'-P-C4' energy: -109.347 flat angles P-C4'-P energy: -45.628 tors. eta vs tors. theta energy: -111.114 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: 1 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -1225.783133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.783133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.783133 (E_RNA) where: Base-Base interactions energy: -816.670 where: short stacking energy: -356.103 Base-Backbone interact. energy: -2.106 local terms energy: -407.006621 where: bonds (distance) C4'-P energy: -90.035 bonds (distance) P-C4' energy: -84.743 flat angles C4'-P-C4' energy: -92.952 flat angles P-C4'-P energy: -52.855 tors. eta vs tors. theta energy: -86.421 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: 184 Temperature: 1.250000 Total energy: -1133.909882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.909882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.909882 (E_RNA) where: Base-Base interactions energy: -755.228 where: short stacking energy: -321.485 Base-Backbone interact. energy: -0.134 local terms energy: -378.548291 where: bonds (distance) C4'-P energy: -73.323 bonds (distance) P-C4' energy: -82.240 flat angles C4'-P-C4' energy: -85.608 flat angles P-C4'-P energy: -60.437 tors. eta vs tors. theta energy: -76.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -827.188592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.188592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.188592 (E_RNA) where: Base-Base interactions energy: -493.138 where: short stacking energy: -210.969 Base-Backbone interact. energy: -0.612 local terms energy: -333.438919 where: bonds (distance) C4'-P energy: -81.286 bonds (distance) P-C4' energy: -81.953 flat angles C4'-P-C4' energy: -86.758 flat angles P-C4'-P energy: -52.695 tors. eta vs tors. theta energy: -30.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -613.146322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.146322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.146322 (E_RNA) where: Base-Base interactions energy: -347.807 where: short stacking energy: -175.190 Base-Backbone interact. energy: -2.421 local terms energy: -262.918052 where: bonds (distance) C4'-P energy: -77.880 bonds (distance) P-C4' energy: -66.560 flat angles C4'-P-C4' energy: -84.191 flat angles P-C4'-P energy: -43.757 tors. eta vs tors. theta energy: 9.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1837.952558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.952558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.952558 (E_RNA) where: Base-Base interactions energy: -1315.015 where: short stacking energy: -565.153 Base-Backbone interact. energy: -0.183 local terms energy: -522.754277 where: bonds (distance) C4'-P energy: -98.310 bonds (distance) P-C4' energy: -79.573 flat angles C4'-P-C4' energy: -116.212 flat angles P-C4'-P energy: -71.606 tors. eta vs tors. theta energy: -157.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1743.372863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.372863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.372863 (E_RNA) where: Base-Base interactions energy: -1231.524 where: short stacking energy: -532.889 Base-Backbone interact. energy: -4.390 local terms energy: -507.458541 where: bonds (distance) C4'-P energy: -83.220 bonds (distance) P-C4' energy: -105.866 flat angles C4'-P-C4' energy: -104.032 flat angles P-C4'-P energy: -72.474 tors. eta vs tors. theta energy: -141.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -1659.521161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1659.521161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1659.521161 (E_RNA) where: Base-Base interactions energy: -1163.912 where: short stacking energy: -492.742 Base-Backbone interact. energy: -0.956 local terms energy: -494.652771 where: bonds (distance) C4'-P energy: -94.042 bonds (distance) P-C4' energy: -86.025 flat angles C4'-P-C4' energy: -111.932 flat angles P-C4'-P energy: -67.785 tors. eta vs tors. theta energy: -134.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1624.352929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.352929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.352929 (E_RNA) where: Base-Base interactions energy: -1141.720 where: short stacking energy: -486.687 Base-Backbone interact. energy: -0.482 local terms energy: -482.151335 where: bonds (distance) C4'-P energy: -83.347 bonds (distance) P-C4' energy: -94.165 flat angles C4'-P-C4' energy: -91.141 flat angles P-C4'-P energy: -73.446 tors. eta vs tors. theta energy: -140.052 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: 185 Temperature: 1.100000 Total energy: -1439.355819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.355819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.355819 (E_RNA) where: Base-Base interactions energy: -982.306 where: short stacking energy: -410.275 Base-Backbone interact. energy: -1.218 local terms energy: -455.832112 where: bonds (distance) C4'-P energy: -83.861 bonds (distance) P-C4' energy: -94.465 flat angles C4'-P-C4' energy: -94.554 flat angles P-C4'-P energy: -71.420 tors. eta vs tors. theta energy: -111.532 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: 7 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -1414.935248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.935248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.935248 (E_RNA) where: Base-Base interactions energy: -992.842 where: short stacking energy: -389.941 Base-Backbone interact. energy: -1.471 local terms energy: -420.622231 where: bonds (distance) C4'-P energy: -78.974 bonds (distance) P-C4' energy: -79.855 flat angles C4'-P-C4' energy: -92.429 flat angles P-C4'-P energy: -67.929 tors. eta vs tors. theta energy: -101.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -1226.117560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.117560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.117560 (E_RNA) where: Base-Base interactions energy: -795.184 where: short stacking energy: -368.036 Base-Backbone interact. energy: -2.486 local terms energy: -428.447721 where: bonds (distance) C4'-P energy: -101.559 bonds (distance) P-C4' energy: -84.980 flat angles C4'-P-C4' energy: -93.814 flat angles P-C4'-P energy: -71.717 tors. eta vs tors. theta energy: -76.377 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: 8 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -1155.950651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.950651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.950651 (E_RNA) where: Base-Base interactions energy: -764.092 where: short stacking energy: -322.635 Base-Backbone interact. energy: -3.298 local terms energy: -388.560599 where: bonds (distance) C4'-P energy: -81.599 bonds (distance) P-C4' energy: -86.367 flat angles C4'-P-C4' energy: -93.390 flat angles P-C4'-P energy: -63.967 tors. eta vs tors. theta energy: -63.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -762.522385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.522385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.522385 (E_RNA) where: Base-Base interactions energy: -465.002 where: short stacking energy: -240.755 Base-Backbone interact. energy: 1.443 local terms energy: -298.963416 where: bonds (distance) C4'-P energy: -77.681 bonds (distance) P-C4' energy: -69.744 flat angles C4'-P-C4' energy: -71.634 flat angles P-C4'-P energy: -41.380 tors. eta vs tors. theta energy: -38.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -642.294095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.294095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.294095 (E_RNA) where: Base-Base interactions energy: -358.856 where: short stacking energy: -171.374 Base-Backbone interact. energy: -0.005 local terms energy: -283.433091 where: bonds (distance) C4'-P energy: -80.951 bonds (distance) P-C4' energy: -76.485 flat angles C4'-P-C4' energy: -84.850 flat angles P-C4'-P energy: -39.859 tors. eta vs tors. theta energy: -1.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1826.768044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1826.768044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1826.768044 (E_RNA) where: Base-Base interactions energy: -1288.910 where: short stacking energy: -556.837 Base-Backbone interact. energy: -0.937 local terms energy: -536.920967 where: bonds (distance) C4'-P energy: -91.101 bonds (distance) P-C4' energy: -101.526 flat angles C4'-P-C4' energy: -101.993 flat angles P-C4'-P energy: -86.412 tors. eta vs tors. theta energy: -155.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1777.627741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.627741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.627741 (E_RNA) where: Base-Base interactions energy: -1235.877 where: short stacking energy: -535.429 Base-Backbone interact. energy: -3.404 local terms energy: -538.346907 where: bonds (distance) C4'-P energy: -89.965 bonds (distance) P-C4' energy: -99.328 flat angles C4'-P-C4' energy: -116.150 flat angles P-C4'-P energy: -82.919 tors. eta vs tors. theta energy: -149.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1651.147928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.147928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.147928 (E_RNA) where: Base-Base interactions energy: -1172.034 where: short stacking energy: -501.683 Base-Backbone interact. energy: -3.699 local terms energy: -475.414877 where: bonds (distance) C4'-P energy: -86.259 bonds (distance) P-C4' energy: -82.674 flat angles C4'-P-C4' energy: -108.925 flat angles P-C4'-P energy: -65.332 tors. eta vs tors. theta energy: -132.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1607.398314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.398314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.398314 (E_RNA) where: Base-Base interactions energy: -1112.829 where: short stacking energy: -484.112 Base-Backbone interact. energy: 1.022 local terms energy: -495.591266 where: bonds (distance) C4'-P energy: -100.474 bonds (distance) P-C4' energy: -95.716 flat angles C4'-P-C4' energy: -103.657 flat angles P-C4'-P energy: -72.144 tors. eta vs tors. theta energy: -123.600 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: 4 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -1475.090302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.090302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.090302 (E_RNA) where: Base-Base interactions energy: -1007.767 where: short stacking energy: -419.879 Base-Backbone interact. energy: -2.971 local terms energy: -464.352355 where: bonds (distance) C4'-P energy: -90.370 bonds (distance) P-C4' energy: -98.398 flat angles C4'-P-C4' energy: -99.427 flat angles P-C4'-P energy: -59.442 tors. eta vs tors. theta energy: -116.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -1417.264840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.264840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.264840 (E_RNA) where: Base-Base interactions energy: -987.913 where: short stacking energy: -410.284 Base-Backbone interact. energy: -1.826 local terms energy: -427.526271 where: bonds (distance) C4'-P energy: -86.076 bonds (distance) P-C4' energy: -94.779 flat angles C4'-P-C4' energy: -89.733 flat angles P-C4'-P energy: -66.485 tors. eta vs tors. theta energy: -90.454 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: 1 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -1234.845519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.845519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.845519 (E_RNA) where: Base-Base interactions energy: -819.752 where: short stacking energy: -361.077 Base-Backbone interact. energy: 0.238 local terms energy: -415.331779 where: bonds (distance) C4'-P energy: -90.130 bonds (distance) P-C4' energy: -83.717 flat angles C4'-P-C4' energy: -82.484 flat angles P-C4'-P energy: -70.035 tors. eta vs tors. theta energy: -88.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -1179.128034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.128034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.128034 (E_RNA) where: Base-Base interactions energy: -793.042 where: short stacking energy: -358.258 Base-Backbone interact. energy: -0.772 local terms energy: -385.313275 where: bonds (distance) C4'-P energy: -68.155 bonds (distance) P-C4' energy: -84.338 flat angles C4'-P-C4' energy: -86.072 flat angles P-C4'-P energy: -63.512 tors. eta vs tors. theta energy: -83.236 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: 2 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -739.770041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.770041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.770041 (E_RNA) where: Base-Base interactions energy: -422.485 where: short stacking energy: -210.374 Base-Backbone interact. energy: 3.551 local terms energy: -320.836154 where: bonds (distance) C4'-P energy: -82.864 bonds (distance) P-C4' energy: -90.985 flat angles C4'-P-C4' energy: -76.245 flat angles P-C4'-P energy: -53.840 tors. eta vs tors. theta energy: -16.901 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: 186 Temperature: 1.350000 Total energy: -618.306246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.306246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.306246 (E_RNA) where: Base-Base interactions energy: -320.336 where: short stacking energy: -173.714 Base-Backbone interact. energy: -1.540 local terms energy: -296.430114 where: bonds (distance) C4'-P energy: -85.914 bonds (distance) P-C4' energy: -80.608 flat angles C4'-P-C4' energy: -68.552 flat angles P-C4'-P energy: -54.856 tors. eta vs tors. theta energy: -6.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1834.814236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1834.814236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1834.814236 (E_RNA) where: Base-Base interactions energy: -1296.075 where: short stacking energy: -569.139 Base-Backbone interact. energy: -0.605 local terms energy: -538.134880 where: bonds (distance) C4'-P energy: -98.933 bonds (distance) P-C4' energy: -94.218 flat angles C4'-P-C4' energy: -104.385 flat angles P-C4'-P energy: -85.977 tors. eta vs tors. theta energy: -154.622 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: 5 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1766.623286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.623286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.623286 (E_RNA) where: Base-Base interactions energy: -1266.680 where: short stacking energy: -527.357 Base-Backbone interact. energy: -0.556 local terms energy: -499.387098 where: bonds (distance) C4'-P energy: -92.781 bonds (distance) P-C4' energy: -95.197 flat angles C4'-P-C4' energy: -109.832 flat angles P-C4'-P energy: -64.771 tors. eta vs tors. theta energy: -136.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1668.669636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.669636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.669636 (E_RNA) where: Base-Base interactions energy: -1171.480 where: short stacking energy: -486.801 Base-Backbone interact. energy: -2.093 local terms energy: -495.096571 where: bonds (distance) C4'-P energy: -88.407 bonds (distance) P-C4' energy: -90.742 flat angles C4'-P-C4' energy: -98.976 flat angles P-C4'-P energy: -83.311 tors. eta vs tors. theta energy: -133.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1633.753019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.753019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.753019 (E_RNA) where: Base-Base interactions energy: -1120.646 where: short stacking energy: -484.073 Base-Backbone interact. energy: -1.921 local terms energy: -511.186763 where: bonds (distance) C4'-P energy: -101.452 bonds (distance) P-C4' energy: -95.468 flat angles C4'-P-C4' energy: -107.684 flat angles P-C4'-P energy: -68.637 tors. eta vs tors. theta energy: -137.946 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: 4 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -1522.894677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.894677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.894677 (E_RNA) where: Base-Base interactions energy: -1047.784 where: short stacking energy: -436.810 Base-Backbone interact. energy: 0.361 local terms energy: -475.471702 where: bonds (distance) C4'-P energy: -90.620 bonds (distance) P-C4' energy: -90.503 flat angles C4'-P-C4' energy: -105.473 flat angles P-C4'-P energy: -66.763 tors. eta vs tors. theta energy: -122.113 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: 187 Temperature: 1.150000 Total energy: -1434.124385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.124385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.124385 (E_RNA) where: Base-Base interactions energy: -1009.850 where: short stacking energy: -386.352 Base-Backbone interact. energy: -2.639 local terms energy: -421.635482 where: bonds (distance) C4'-P energy: -82.203 bonds (distance) P-C4' energy: -91.558 flat angles C4'-P-C4' energy: -95.066 flat angles P-C4'-P energy: -59.198 tors. eta vs tors. theta energy: -93.610 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: 7, replica: 1 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -1256.680664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.680664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.680664 (E_RNA) where: Base-Base interactions energy: -842.842 where: short stacking energy: -375.167 Base-Backbone interact. energy: 1.736 local terms energy: -415.574186 where: bonds (distance) C4'-P energy: -86.927 bonds (distance) P-C4' energy: -83.535 flat angles C4'-P-C4' energy: -88.402 flat angles P-C4'-P energy: -64.683 tors. eta vs tors. theta energy: -92.027 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: 8 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -1116.049072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.049072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.049072 (E_RNA) where: Base-Base interactions energy: -755.927 where: short stacking energy: -348.257 Base-Backbone interact. energy: -0.824 local terms energy: -359.298426 where: bonds (distance) C4'-P energy: -66.906 bonds (distance) P-C4' energy: -66.411 flat angles C4'-P-C4' energy: -86.423 flat angles P-C4'-P energy: -63.549 tors. eta vs tors. theta energy: -76.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -735.398245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.398245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.398245 (E_RNA) where: Base-Base interactions energy: -428.670 where: short stacking energy: -206.092 Base-Backbone interact. energy: 0.515 local terms energy: -307.242541 where: bonds (distance) C4'-P energy: -82.790 bonds (distance) P-C4' energy: -82.072 flat angles C4'-P-C4' energy: -69.461 flat angles P-C4'-P energy: -52.973 tors. eta vs tors. theta energy: -19.947 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: 10 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -668.051542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.051542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.051542 (E_RNA) where: Base-Base interactions energy: -393.474 where: short stacking energy: -190.866 Base-Backbone interact. energy: 0.832 local terms energy: -275.409929 where: bonds (distance) C4'-P energy: -81.659 bonds (distance) P-C4' energy: -66.636 flat angles C4'-P-C4' energy: -68.073 flat angles P-C4'-P energy: -39.134 tors. eta vs tors. theta energy: -19.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1854.966587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.966587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.966587 (E_RNA) where: Base-Base interactions energy: -1308.654 where: short stacking energy: -554.871 Base-Backbone interact. energy: -0.433 local terms energy: -545.879662 where: bonds (distance) C4'-P energy: -89.668 bonds (distance) P-C4' energy: -103.665 flat angles C4'-P-C4' energy: -118.853 flat angles P-C4'-P energy: -70.479 tors. eta vs tors. theta energy: -163.215 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: 188 Temperature: 0.950000 Total energy: -1780.167432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.167432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.167432 (E_RNA) where: Base-Base interactions energy: -1254.451 where: short stacking energy: -527.292 Base-Backbone interact. energy: -4.458 local terms energy: -521.257707 where: bonds (distance) C4'-P energy: -88.819 bonds (distance) P-C4' energy: -99.349 flat angles C4'-P-C4' energy: -109.141 flat angles P-C4'-P energy: -74.863 tors. eta vs tors. theta energy: -149.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1642.105093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.105093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.105093 (E_RNA) where: Base-Base interactions energy: -1136.593 where: short stacking energy: -484.804 Base-Backbone interact. energy: -1.085 local terms energy: -504.427418 where: bonds (distance) C4'-P energy: -89.351 bonds (distance) P-C4' energy: -98.164 flat angles C4'-P-C4' energy: -115.064 flat angles P-C4'-P energy: -66.407 tors. eta vs tors. theta energy: -135.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1618.656655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.656655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.656655 (E_RNA) where: Base-Base interactions energy: -1127.748 where: short stacking energy: -484.437 Base-Backbone interact. energy: -2.295 local terms energy: -488.613452 where: bonds (distance) C4'-P energy: -87.263 bonds (distance) P-C4' energy: -94.992 flat angles C4'-P-C4' energy: -108.551 flat angles P-C4'-P energy: -69.236 tors. eta vs tors. theta energy: -128.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -1558.663199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.663199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.663199 (E_RNA) where: Base-Base interactions energy: -1091.303 where: short stacking energy: -479.745 Base-Backbone interact. energy: -2.409 local terms energy: -464.951021 where: bonds (distance) C4'-P energy: -80.751 bonds (distance) P-C4' energy: -81.692 flat angles C4'-P-C4' energy: -105.273 flat angles P-C4'-P energy: -64.512 tors. eta vs tors. theta energy: -132.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -1431.932593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.932593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.932593 (E_RNA) where: Base-Base interactions energy: -995.333 where: short stacking energy: -406.521 Base-Backbone interact. energy: -2.650 local terms energy: -433.949780 where: bonds (distance) C4'-P energy: -96.390 bonds (distance) P-C4' energy: -98.590 flat angles C4'-P-C4' energy: -79.757 flat angles P-C4'-P energy: -55.027 tors. eta vs tors. theta energy: -104.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -1285.211333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.211333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.211333 (E_RNA) where: Base-Base interactions energy: -870.107 where: short stacking energy: -400.044 Base-Backbone interact. energy: 0.951 local terms energy: -416.055380 where: bonds (distance) C4'-P energy: -76.983 bonds (distance) P-C4' energy: -77.806 flat angles C4'-P-C4' energy: -97.158 flat angles P-C4'-P energy: -61.008 tors. eta vs tors. theta energy: -103.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -1126.833864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.833864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.833864 (E_RNA) where: Base-Base interactions energy: -757.134 where: short stacking energy: -328.159 Base-Backbone interact. energy: 5.670 local terms energy: -375.370012 where: bonds (distance) C4'-P energy: -78.092 bonds (distance) P-C4' energy: -78.165 flat angles C4'-P-C4' energy: -90.073 flat angles P-C4'-P energy: -55.614 tors. eta vs tors. theta energy: -73.425 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: 2 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -781.491666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.491666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.491666 (E_RNA) where: Base-Base interactions energy: -445.437 where: short stacking energy: -211.432 Base-Backbone interact. energy: -1.431 local terms energy: -334.623527 where: bonds (distance) C4'-P energy: -79.309 bonds (distance) P-C4' energy: -87.248 flat angles C4'-P-C4' energy: -93.902 flat angles P-C4'-P energy: -41.080 tors. eta vs tors. theta energy: -33.085 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: 10 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -649.006041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.006041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.006041 (E_RNA) where: Base-Base interactions energy: -370.148 where: short stacking energy: -201.997 Base-Backbone interact. energy: -0.030 local terms energy: -278.828623 where: bonds (distance) C4'-P energy: -74.733 bonds (distance) P-C4' energy: -71.201 flat angles C4'-P-C4' energy: -75.393 flat angles P-C4'-P energy: -47.455 tors. eta vs tors. theta energy: -10.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1835.628137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1835.628137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1835.628137 (E_RNA) where: Base-Base interactions energy: -1286.868 where: short stacking energy: -560.500 Base-Backbone interact. energy: -1.410 local terms energy: -547.350756 where: bonds (distance) C4'-P energy: -101.304 bonds (distance) P-C4' energy: -91.010 flat angles C4'-P-C4' energy: -109.629 flat angles P-C4'-P energy: -84.522 tors. eta vs tors. theta energy: -160.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1778.722906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.722906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.722906 (E_RNA) where: Base-Base interactions energy: -1260.873 where: short stacking energy: -533.399 Base-Backbone interact. energy: -3.943 local terms energy: -513.906779 where: bonds (distance) C4'-P energy: -82.153 bonds (distance) P-C4' energy: -100.588 flat angles C4'-P-C4' energy: -116.019 flat angles P-C4'-P energy: -66.530 tors. eta vs tors. theta energy: -148.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1678.618093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.618093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.618093 (E_RNA) where: Base-Base interactions energy: -1172.819 where: short stacking energy: -528.295 Base-Backbone interact. energy: -2.346 local terms energy: -503.452986 where: bonds (distance) C4'-P energy: -88.751 bonds (distance) P-C4' energy: -97.597 flat angles C4'-P-C4' energy: -102.358 flat angles P-C4'-P energy: -68.194 tors. eta vs tors. theta energy: -146.554 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: 9 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1586.007547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.007547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.007547 (E_RNA) where: Base-Base interactions energy: -1090.531 where: short stacking energy: -457.935 Base-Backbone interact. energy: -1.302 local terms energy: -494.174784 where: bonds (distance) C4'-P energy: -100.591 bonds (distance) P-C4' energy: -96.070 flat angles C4'-P-C4' energy: -98.546 flat angles P-C4'-P energy: -67.878 tors. eta vs tors. theta energy: -131.090 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: 189 Temperature: 1.100000 Total energy: -1564.378566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.378566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.378566 (E_RNA) where: Base-Base interactions energy: -1076.000 where: short stacking energy: -460.007 Base-Backbone interact. energy: -1.359 local terms energy: -487.019786 where: bonds (distance) C4'-P energy: -89.554 bonds (distance) P-C4' energy: -97.133 flat angles C4'-P-C4' energy: -101.913 flat angles P-C4'-P energy: -69.779 tors. eta vs tors. theta energy: -128.641 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: 189 Temperature: 1.150000 Total energy: -1419.564378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.564378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.564378 (E_RNA) where: Base-Base interactions energy: -999.418 where: short stacking energy: -421.339 Base-Backbone interact. energy: -1.962 local terms energy: -418.184957 where: bonds (distance) C4'-P energy: -98.356 bonds (distance) P-C4' energy: -78.073 flat angles C4'-P-C4' energy: -89.138 flat angles P-C4'-P energy: -62.415 tors. eta vs tors. theta energy: -90.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -1301.130689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1301.130689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1301.130689 (E_RNA) where: Base-Base interactions energy: -898.082 where: short stacking energy: -407.790 Base-Backbone interact. energy: 1.159 local terms energy: -404.207232 where: bonds (distance) C4'-P energy: -75.065 bonds (distance) P-C4' energy: -71.296 flat angles C4'-P-C4' energy: -98.118 flat angles P-C4'-P energy: -63.917 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: 8, replica: 8 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -1134.889444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.889444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.889444 (E_RNA) where: Base-Base interactions energy: -753.218 where: short stacking energy: -332.326 Base-Backbone interact. energy: -3.483 local terms energy: -378.188560 where: bonds (distance) C4'-P energy: -86.841 bonds (distance) P-C4' energy: -72.892 flat angles C4'-P-C4' energy: -86.398 flat angles P-C4'-P energy: -55.603 tors. eta vs tors. theta energy: -76.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -773.135926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.135926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.135926 (E_RNA) where: Base-Base interactions energy: -497.866 where: short stacking energy: -251.101 Base-Backbone interact. energy: -3.986 local terms energy: -271.284102 where: bonds (distance) C4'-P energy: -66.536 bonds (distance) P-C4' energy: -69.414 flat angles C4'-P-C4' energy: -67.858 flat angles P-C4'-P energy: -30.099 tors. eta vs tors. theta energy: -37.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -617.313445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.313445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.313445 (E_RNA) where: Base-Base interactions energy: -335.263 where: short stacking energy: -194.948 Base-Backbone interact. energy: -1.955 local terms energy: -280.095068 where: bonds (distance) C4'-P energy: -66.337 bonds (distance) P-C4' energy: -84.923 flat angles C4'-P-C4' energy: -79.252 flat angles P-C4'-P energy: -31.075 tors. eta vs tors. theta energy: -18.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1833.121162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.121162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.121162 (E_RNA) where: Base-Base interactions energy: -1302.642 where: short stacking energy: -545.992 Base-Backbone interact. energy: -3.544 local terms energy: -526.935940 where: bonds (distance) C4'-P energy: -85.021 bonds (distance) P-C4' energy: -100.759 flat angles C4'-P-C4' energy: -117.204 flat angles P-C4'-P energy: -70.638 tors. eta vs tors. theta energy: -153.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1761.223394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.223394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.223394 (E_RNA) where: Base-Base interactions energy: -1254.144 where: short stacking energy: -517.472 Base-Backbone interact. energy: -1.577 local terms energy: -505.501911 where: bonds (distance) C4'-P energy: -92.148 bonds (distance) P-C4' energy: -87.834 flat angles C4'-P-C4' energy: -115.899 flat angles P-C4'-P energy: -63.832 tors. eta vs tors. theta energy: -145.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1663.118808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.118808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.118808 (E_RNA) where: Base-Base interactions energy: -1173.646 where: short stacking energy: -494.835 Base-Backbone interact. energy: -2.018 local terms energy: -487.454903 where: bonds (distance) C4'-P energy: -85.079 bonds (distance) P-C4' energy: -83.455 flat angles C4'-P-C4' energy: -108.014 flat angles P-C4'-P energy: -65.146 tors. eta vs tors. theta energy: -145.761 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: 9 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1572.848271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.848271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.848271 (E_RNA) where: Base-Base interactions energy: -1096.223 where: short stacking energy: -484.191 Base-Backbone interact. energy: -0.689 local terms energy: -475.936279 where: bonds (distance) C4'-P energy: -89.819 bonds (distance) P-C4' energy: -94.439 flat angles C4'-P-C4' energy: -107.272 flat angles P-C4'-P energy: -61.409 tors. eta vs tors. theta energy: -122.998 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: 4 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -1520.812310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.812310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.812310 (E_RNA) where: Base-Base interactions energy: -1021.695 where: short stacking energy: -433.141 Base-Backbone interact. energy: -1.780 local terms energy: -497.336519 where: bonds (distance) C4'-P energy: -99.166 bonds (distance) P-C4' energy: -93.901 flat angles C4'-P-C4' energy: -105.193 flat angles P-C4'-P energy: -65.106 tors. eta vs tors. theta energy: -133.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -1380.030908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.030908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.030908 (E_RNA) where: Base-Base interactions energy: -982.963 where: short stacking energy: -400.818 Base-Backbone interact. energy: -1.322 local terms energy: -395.745878 where: bonds (distance) C4'-P energy: -82.916 bonds (distance) P-C4' energy: -83.396 flat angles C4'-P-C4' energy: -91.487 flat angles P-C4'-P energy: -45.561 tors. eta vs tors. theta energy: -92.386 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: 1 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -1266.891120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.891120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.891120 (E_RNA) where: Base-Base interactions energy: -850.800 where: short stacking energy: -372.033 Base-Backbone interact. energy: 3.711 local terms energy: -419.802142 where: bonds (distance) C4'-P energy: -77.730 bonds (distance) P-C4' energy: -98.053 flat angles C4'-P-C4' energy: -89.475 flat angles P-C4'-P energy: -59.997 tors. eta vs tors. theta energy: -94.546 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: 8 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -1081.588261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.588261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.588261 (E_RNA) where: Base-Base interactions energy: -685.895 where: short stacking energy: -315.710 Base-Backbone interact. energy: -3.482 local terms energy: -392.211793 where: bonds (distance) C4'-P energy: -85.442 bonds (distance) P-C4' energy: -87.442 flat angles C4'-P-C4' energy: -84.483 flat angles P-C4'-P energy: -56.644 tors. eta vs tors. theta energy: -78.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -696.697731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.697731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.697731 (E_RNA) where: Base-Base interactions energy: -404.576 where: short stacking energy: -227.995 Base-Backbone interact. energy: 5.813 local terms energy: -297.934277 where: bonds (distance) C4'-P energy: -83.479 bonds (distance) P-C4' energy: -84.719 flat angles C4'-P-C4' energy: -65.443 flat angles P-C4'-P energy: -51.862 tors. eta vs tors. theta energy: -12.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -510.381493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.381493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.381493 (E_RNA) where: Base-Base interactions energy: -226.239 where: short stacking energy: -148.677 Base-Backbone interact. energy: -2.394 local terms energy: -281.748704 where: bonds (distance) C4'-P energy: -73.781 bonds (distance) P-C4' energy: -91.790 flat angles C4'-P-C4' energy: -71.876 flat angles P-C4'-P energy: -49.966 tors. eta vs tors. theta energy: 5.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1837.646196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1837.646196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1837.646196 (E_RNA) where: Base-Base interactions energy: -1317.398 where: short stacking energy: -553.599 Base-Backbone interact. energy: -0.230 local terms energy: -520.018040 where: bonds (distance) C4'-P energy: -74.681 bonds (distance) P-C4' energy: -106.747 flat angles C4'-P-C4' energy: -105.885 flat angles P-C4'-P energy: -78.341 tors. eta vs tors. theta energy: -154.364 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: 5 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1760.153247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.153247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.153247 (E_RNA) where: Base-Base interactions energy: -1254.755 where: short stacking energy: -508.759 Base-Backbone interact. energy: -4.584 local terms energy: -500.813496 where: bonds (distance) C4'-P energy: -87.256 bonds (distance) P-C4' energy: -94.329 flat angles C4'-P-C4' energy: -109.456 flat angles P-C4'-P energy: -73.971 tors. eta vs tors. theta energy: -135.801 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: 3 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1646.635246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.635246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.635246 (E_RNA) where: Base-Base interactions energy: -1159.925 where: short stacking energy: -511.026 Base-Backbone interact. energy: 2.153 local terms energy: -488.863247 where: bonds (distance) C4'-P energy: -84.448 bonds (distance) P-C4' energy: -93.530 flat angles C4'-P-C4' energy: -105.182 flat angles P-C4'-P energy: -69.232 tors. eta vs tors. theta energy: -136.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1567.819863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.819863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.819863 (E_RNA) where: Base-Base interactions energy: -1088.148 where: short stacking energy: -455.797 Base-Backbone interact. energy: -1.393 local terms energy: -478.279675 where: bonds (distance) C4'-P energy: -76.430 bonds (distance) P-C4' energy: -95.576 flat angles C4'-P-C4' energy: -107.515 flat angles P-C4'-P energy: -74.401 tors. eta vs tors. theta energy: -124.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -1520.513779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.513779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.513779 (E_RNA) where: Base-Base interactions energy: -1037.335 where: short stacking energy: -483.702 Base-Backbone interact. energy: 0.833 local terms energy: -484.012096 where: bonds (distance) C4'-P energy: -89.270 bonds (distance) P-C4' energy: -84.659 flat angles C4'-P-C4' energy: -103.527 flat angles P-C4'-P energy: -65.496 tors. eta vs tors. theta energy: -141.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -1405.931653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.931653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.931653 (E_RNA) where: Base-Base interactions energy: -982.489 where: short stacking energy: -410.161 Base-Backbone interact. energy: -1.406 local terms energy: -422.036727 where: bonds (distance) C4'-P energy: -80.584 bonds (distance) P-C4' energy: -89.335 flat angles C4'-P-C4' energy: -93.782 flat angles P-C4'-P energy: -58.384 tors. eta vs tors. theta energy: -99.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -1280.075502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1280.075502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1280.075502 (E_RNA) where: Base-Base interactions energy: -858.555 where: short stacking energy: -383.929 Base-Backbone interact. energy: -1.015 local terms energy: -420.505373 where: bonds (distance) C4'-P energy: -83.097 bonds (distance) P-C4' energy: -89.468 flat angles C4'-P-C4' energy: -84.289 flat angles P-C4'-P energy: -66.994 tors. eta vs tors. theta energy: -96.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -1060.274980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.274980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.274980 (E_RNA) where: Base-Base interactions energy: -684.820 where: short stacking energy: -306.831 Base-Backbone interact. energy: -1.110 local terms energy: -374.345034 where: bonds (distance) C4'-P energy: -83.267 bonds (distance) P-C4' energy: -98.386 flat angles C4'-P-C4' energy: -85.604 flat angles P-C4'-P energy: -43.506 tors. eta vs tors. theta energy: -63.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -776.471307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.471307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.471307 (E_RNA) where: Base-Base interactions energy: -434.548 where: short stacking energy: -222.800 Base-Backbone interact. energy: 0.067 local terms energy: -341.990573 where: bonds (distance) C4'-P energy: -84.678 bonds (distance) P-C4' energy: -102.818 flat angles C4'-P-C4' energy: -65.588 flat angles P-C4'-P energy: -51.196 tors. eta vs tors. theta energy: -37.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -463.230578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.230578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.230578 (E_RNA) where: Base-Base interactions energy: -209.508 where: short stacking energy: -132.359 Base-Backbone interact. energy: 3.109 local terms energy: -256.831051 where: bonds (distance) C4'-P energy: -69.210 bonds (distance) P-C4' energy: -79.707 flat angles C4'-P-C4' energy: -69.357 flat angles P-C4'-P energy: -44.042 tors. eta vs tors. theta energy: 5.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1864.596634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.596634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.596634 (E_RNA) where: Base-Base interactions energy: -1316.721 where: short stacking energy: -552.843 Base-Backbone interact. energy: 1.158 local terms energy: -549.033032 where: bonds (distance) C4'-P energy: -100.639 bonds (distance) P-C4' energy: -88.569 flat angles C4'-P-C4' energy: -112.180 flat angles P-C4'-P energy: -87.995 tors. eta vs tors. theta energy: -159.650 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: 5 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1730.434392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.434392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.434392 (E_RNA) where: Base-Base interactions energy: -1221.533 where: short stacking energy: -503.413 Base-Backbone interact. energy: -3.174 local terms energy: -505.726846 where: bonds (distance) C4'-P energy: -98.865 bonds (distance) P-C4' energy: -102.410 flat angles C4'-P-C4' energy: -100.976 flat angles P-C4'-P energy: -62.088 tors. eta vs tors. theta energy: -141.389 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: 3 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1641.682371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.682371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.682371 (E_RNA) where: Base-Base interactions energy: -1127.837 where: short stacking energy: -483.809 Base-Backbone interact. energy: -4.871 local terms energy: -508.974001 where: bonds (distance) C4'-P energy: -91.201 bonds (distance) P-C4' energy: -92.298 flat angles C4'-P-C4' energy: -111.620 flat angles P-C4'-P energy: -83.258 tors. eta vs tors. theta energy: -130.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1585.171290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.171290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.171290 (E_RNA) where: Base-Base interactions energy: -1091.570 where: short stacking energy: -498.130 Base-Backbone interact. energy: -2.681 local terms energy: -490.920219 where: bonds (distance) C4'-P energy: -88.204 bonds (distance) P-C4' energy: -94.654 flat angles C4'-P-C4' energy: -96.401 flat angles P-C4'-P energy: -70.871 tors. eta vs tors. theta energy: -140.790 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: 4 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -1543.041760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.041760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.041760 (E_RNA) where: Base-Base interactions energy: -1047.648 where: short stacking energy: -448.872 Base-Backbone interact. energy: -1.710 local terms energy: -493.683645 where: bonds (distance) C4'-P energy: -78.702 bonds (distance) P-C4' energy: -105.195 flat angles C4'-P-C4' energy: -97.371 flat angles P-C4'-P energy: -67.176 tors. eta vs tors. theta energy: -145.240 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: 192 Temperature: 1.150000 Total energy: -1398.365597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.365597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.365597 (E_RNA) where: Base-Base interactions energy: -975.721 where: short stacking energy: -399.520 Base-Backbone interact. energy: 2.489 local terms energy: -425.133776 where: bonds (distance) C4'-P energy: -81.717 bonds (distance) P-C4' energy: -84.854 flat angles C4'-P-C4' energy: -100.040 flat angles P-C4'-P energy: -66.757 tors. eta vs tors. theta energy: -91.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -1251.977224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.977224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.977224 (E_RNA) where: Base-Base interactions energy: -840.794 where: short stacking energy: -367.078 Base-Backbone interact. energy: -1.928 local terms energy: -409.255348 where: bonds (distance) C4'-P energy: -86.616 bonds (distance) P-C4' energy: -91.519 flat angles C4'-P-C4' energy: -105.349 flat angles P-C4'-P energy: -44.593 tors. eta vs tors. theta energy: -81.178 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: 8, replica: 8 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -951.151864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.151864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.151864 (E_RNA) where: Base-Base interactions energy: -618.917 where: short stacking energy: -278.080 Base-Backbone interact. energy: -0.249 local terms energy: -331.985963 where: bonds (distance) C4'-P energy: -59.970 bonds (distance) P-C4' energy: -73.375 flat angles C4'-P-C4' energy: -90.200 flat angles P-C4'-P energy: -51.784 tors. eta vs tors. theta energy: -56.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -682.932315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.932315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.932315 (E_RNA) where: Base-Base interactions energy: -407.271 where: short stacking energy: -186.223 Base-Backbone interact. energy: 2.259 local terms energy: -277.920201 where: bonds (distance) C4'-P energy: -95.527 bonds (distance) P-C4' energy: -81.352 flat angles C4'-P-C4' energy: -67.728 flat angles P-C4'-P energy: -34.193 tors. eta vs tors. theta energy: 0.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -556.541939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.541939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.541939 (E_RNA) where: Base-Base interactions energy: -302.637 where: short stacking energy: -181.336 Base-Backbone interact. energy: 0.019 local terms energy: -253.923953 where: bonds (distance) C4'-P energy: -80.103 bonds (distance) P-C4' energy: -76.592 flat angles C4'-P-C4' energy: -74.612 flat angles P-C4'-P energy: -24.854 tors. eta vs tors. theta energy: 2.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1862.017381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.017381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.017381 (E_RNA) where: Base-Base interactions energy: -1305.939 where: short stacking energy: -567.067 Base-Backbone interact. energy: 0.224 local terms energy: -556.302526 where: bonds (distance) C4'-P energy: -97.243 bonds (distance) P-C4' energy: -107.020 flat angles C4'-P-C4' energy: -114.816 flat angles P-C4'-P energy: -75.534 tors. eta vs tors. theta energy: -161.689 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: 5 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1742.640557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.640557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.640557 (E_RNA) where: Base-Base interactions energy: -1228.635 where: short stacking energy: -514.842 Base-Backbone interact. energy: -2.328 local terms energy: -511.677658 where: bonds (distance) C4'-P energy: -91.191 bonds (distance) P-C4' energy: -91.526 flat angles C4'-P-C4' energy: -107.871 flat angles P-C4'-P energy: -72.755 tors. eta vs tors. theta energy: -148.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1633.310543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.310543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.310543 (E_RNA) where: Base-Base interactions energy: -1142.293 where: short stacking energy: -493.150 Base-Backbone interact. energy: -1.605 local terms energy: -489.412362 where: bonds (distance) C4'-P energy: -90.353 bonds (distance) P-C4' energy: -94.209 flat angles C4'-P-C4' energy: -101.113 flat angles P-C4'-P energy: -74.401 tors. eta vs tors. theta energy: -129.336 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: 9 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1570.138880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.138880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.138880 (E_RNA) where: Base-Base interactions energy: -1094.422 where: short stacking energy: -466.332 Base-Backbone interact. energy: -1.002 local terms energy: -474.714499 where: bonds (distance) C4'-P energy: -93.376 bonds (distance) P-C4' energy: -85.001 flat angles C4'-P-C4' energy: -104.672 flat angles P-C4'-P energy: -63.085 tors. eta vs tors. theta energy: -128.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -1523.810442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.810442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.810442 (E_RNA) where: Base-Base interactions energy: -1048.719 where: short stacking energy: -477.260 Base-Backbone interact. energy: -3.792 local terms energy: -471.299392 where: bonds (distance) C4'-P energy: -84.015 bonds (distance) P-C4' energy: -96.707 flat angles C4'-P-C4' energy: -99.450 flat angles P-C4'-P energy: -62.279 tors. eta vs tors. theta energy: -128.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -1442.608289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.608289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.608289 (E_RNA) where: Base-Base interactions energy: -1025.711 where: short stacking energy: -412.309 Base-Backbone interact. energy: -0.042 local terms energy: -416.855034 where: bonds (distance) C4'-P energy: -80.823 bonds (distance) P-C4' energy: -79.423 flat angles C4'-P-C4' energy: -98.120 flat angles P-C4'-P energy: -64.722 tors. eta vs tors. theta energy: -93.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -1271.911092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.911092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.911092 (E_RNA) where: Base-Base interactions energy: -873.658 where: short stacking energy: -382.403 Base-Backbone interact. energy: -1.217 local terms energy: -397.035650 where: bonds (distance) C4'-P energy: -85.069 bonds (distance) P-C4' energy: -67.072 flat angles C4'-P-C4' energy: -90.362 flat angles P-C4'-P energy: -62.094 tors. eta vs tors. theta energy: -92.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -897.861572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.861572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.861572 (E_RNA) where: Base-Base interactions energy: -544.130 where: short stacking energy: -279.366 Base-Backbone interact. energy: -0.441 local terms energy: -353.290416 where: bonds (distance) C4'-P energy: -95.728 bonds (distance) P-C4' energy: -77.440 flat angles C4'-P-C4' energy: -91.545 flat angles P-C4'-P energy: -47.830 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: 9, replica: 2 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -737.707218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.707218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.707218 (E_RNA) where: Base-Base interactions energy: -418.975 where: short stacking energy: -204.713 Base-Backbone interact. energy: -3.165 local terms energy: -315.566676 where: bonds (distance) C4'-P energy: -71.605 bonds (distance) P-C4' energy: -95.557 flat angles C4'-P-C4' energy: -81.943 flat angles P-C4'-P energy: -51.162 tors. eta vs tors. theta energy: -15.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -581.657276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.657276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.657276 (E_RNA) where: Base-Base interactions energy: -289.594 where: short stacking energy: -163.250 Base-Backbone interact. energy: 0.577 local terms energy: -292.640451 where: bonds (distance) C4'-P energy: -87.255 bonds (distance) P-C4' energy: -96.815 flat angles C4'-P-C4' energy: -66.686 flat angles P-C4'-P energy: -42.208 tors. eta vs tors. theta energy: 0.324 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: 1, replica: 6 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1866.713444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.713444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.713444 (E_RNA) where: Base-Base interactions energy: -1329.488 where: short stacking energy: -560.535 Base-Backbone interact. energy: 4.925 local terms energy: -542.149944 where: bonds (distance) C4'-P energy: -93.063 bonds (distance) P-C4' energy: -100.974 flat angles C4'-P-C4' energy: -113.781 flat angles P-C4'-P energy: -78.954 tors. eta vs tors. theta energy: -155.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1747.678048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.678048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.678048 (E_RNA) where: Base-Base interactions energy: -1231.976 where: short stacking energy: -515.182 Base-Backbone interact. energy: -3.486 local terms energy: -512.216493 where: bonds (distance) C4'-P energy: -94.082 bonds (distance) P-C4' energy: -91.623 flat angles C4'-P-C4' energy: -113.516 flat angles P-C4'-P energy: -79.214 tors. eta vs tors. theta energy: -133.781 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: 3, replica: 3 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1691.206529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.206529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.206529 (E_RNA) where: Base-Base interactions energy: -1165.031 where: short stacking energy: -526.067 Base-Backbone interact. energy: -4.008 local terms energy: -522.167030 where: bonds (distance) C4'-P energy: -95.164 bonds (distance) P-C4' energy: -104.786 flat angles C4'-P-C4' energy: -109.287 flat angles P-C4'-P energy: -68.901 tors. eta vs tors. theta energy: -144.029 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: 9 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1577.237839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.237839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.237839 (E_RNA) where: Base-Base interactions energy: -1077.926 where: short stacking energy: -475.118 Base-Backbone interact. energy: 0.369 local terms energy: -499.680725 where: bonds (distance) C4'-P energy: -98.362 bonds (distance) P-C4' energy: -100.115 flat angles C4'-P-C4' energy: -96.939 flat angles P-C4'-P energy: -71.824 tors. eta vs tors. theta energy: -132.440 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: 4 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -1532.729181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.729181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.729181 (E_RNA) where: Base-Base interactions energy: -1055.664 where: short stacking energy: -452.598 Base-Backbone interact. energy: 0.921 local terms energy: -477.986406 where: bonds (distance) C4'-P energy: -81.845 bonds (distance) P-C4' energy: -91.285 flat angles C4'-P-C4' energy: -97.994 flat angles P-C4'-P energy: -75.112 tors. eta vs tors. theta energy: -131.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -1406.731748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.731748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.731748 (E_RNA) where: Base-Base interactions energy: -993.887 where: short stacking energy: -394.313 Base-Backbone interact. energy: 0.033 local terms energy: -412.877203 where: bonds (distance) C4'-P energy: -83.731 bonds (distance) P-C4' energy: -83.533 flat angles C4'-P-C4' energy: -94.337 flat angles P-C4'-P energy: -52.156 tors. eta vs tors. theta energy: -99.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -1236.395447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.395447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.395447 (E_RNA) where: Base-Base interactions energy: -845.930 where: short stacking energy: -359.009 Base-Backbone interact. energy: -2.583 local terms energy: -387.882622 where: bonds (distance) C4'-P energy: -56.799 bonds (distance) P-C4' energy: -93.310 flat angles C4'-P-C4' energy: -97.932 flat angles P-C4'-P energy: -60.266 tors. eta vs tors. theta energy: -79.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -951.215924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.215924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.215924 (E_RNA) where: Base-Base interactions energy: -604.840 where: short stacking energy: -285.557 Base-Backbone interact. energy: -1.869 local terms energy: -344.507765 where: bonds (distance) C4'-P energy: -92.323 bonds (distance) P-C4' energy: -68.407 flat angles C4'-P-C4' energy: -83.078 flat angles P-C4'-P energy: -47.180 tors. eta vs tors. theta energy: -53.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -702.288998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.288998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.288998 (E_RNA) where: Base-Base interactions energy: -412.894 where: short stacking energy: -224.109 Base-Backbone interact. energy: -1.681 local terms energy: -287.713704 where: bonds (distance) C4'-P energy: -78.759 bonds (distance) P-C4' energy: -81.868 flat angles C4'-P-C4' energy: -65.168 flat angles P-C4'-P energy: -48.723 tors. eta vs tors. theta energy: -13.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -581.086168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.086168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.086168 (E_RNA) where: Base-Base interactions energy: -301.884 where: short stacking energy: -163.395 Base-Backbone interact. energy: -0.585 local terms energy: -278.616903 where: bonds (distance) C4'-P energy: -92.567 bonds (distance) P-C4' energy: -79.575 flat angles C4'-P-C4' energy: -53.253 flat angles P-C4'-P energy: -46.149 tors. eta vs tors. theta energy: -7.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1851.135743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.135743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.135743 (E_RNA) where: Base-Base interactions energy: -1312.303 where: short stacking energy: -558.559 Base-Backbone interact. energy: -1.603 local terms energy: -537.229657 where: bonds (distance) C4'-P energy: -90.244 bonds (distance) P-C4' energy: -106.244 flat angles C4'-P-C4' energy: -109.577 flat angles P-C4'-P energy: -70.671 tors. eta vs tors. theta energy: -160.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1775.964578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.964578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.964578 (E_RNA) where: Base-Base interactions energy: -1252.741 where: short stacking energy: -511.812 Base-Backbone interact. energy: 3.486 local terms energy: -526.709276 where: bonds (distance) C4'-P energy: -96.527 bonds (distance) P-C4' energy: -108.324 flat angles C4'-P-C4' energy: -104.361 flat angles P-C4'-P energy: -78.100 tors. eta vs tors. theta energy: -139.397 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: 3, replica: 3 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1682.435206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.435206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.435206 (E_RNA) where: Base-Base interactions energy: -1163.128 where: short stacking energy: -500.813 Base-Backbone interact. energy: -3.117 local terms energy: -516.189787 where: bonds (distance) C4'-P energy: -92.199 bonds (distance) P-C4' energy: -100.307 flat angles C4'-P-C4' energy: -114.335 flat angles P-C4'-P energy: -70.313 tors. eta vs tors. theta energy: -139.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1628.908249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.908249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.908249 (E_RNA) where: Base-Base interactions energy: -1127.367 where: short stacking energy: -498.853 Base-Backbone interact. energy: 2.434 local terms energy: -503.974964 where: bonds (distance) C4'-P energy: -88.608 bonds (distance) P-C4' energy: -107.882 flat angles C4'-P-C4' energy: -101.063 flat angles P-C4'-P energy: -66.473 tors. eta vs tors. theta energy: -139.948 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: 4 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -1532.020718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.020718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.020718 (E_RNA) where: Base-Base interactions energy: -1060.981 where: short stacking energy: -483.955 Base-Backbone interact. energy: -1.645 local terms energy: -469.395351 where: bonds (distance) C4'-P energy: -83.700 bonds (distance) P-C4' energy: -90.956 flat angles C4'-P-C4' energy: -93.810 flat angles P-C4'-P energy: -57.870 tors. eta vs tors. theta energy: -143.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -1401.377947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.377947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.377947 (E_RNA) where: Base-Base interactions energy: -990.306 where: short stacking energy: -422.197 Base-Backbone interact. energy: -3.562 local terms energy: -407.509736 where: bonds (distance) C4'-P energy: -80.760 bonds (distance) P-C4' energy: -81.963 flat angles C4'-P-C4' energy: -99.586 flat angles P-C4'-P energy: -55.791 tors. eta vs tors. theta energy: -89.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -1208.757295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.757295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.757295 (E_RNA) where: Base-Base interactions energy: -815.525 where: short stacking energy: -374.312 Base-Backbone interact. energy: 3.724 local terms energy: -396.956143 where: bonds (distance) C4'-P energy: -80.315 bonds (distance) P-C4' energy: -87.081 flat angles C4'-P-C4' energy: -77.349 flat angles P-C4'-P energy: -63.430 tors. eta vs tors. theta energy: -88.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -925.482622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.482622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.482622 (E_RNA) where: Base-Base interactions energy: -594.850 where: short stacking energy: -267.042 Base-Backbone interact. energy: -2.189 local terms energy: -328.442894 where: bonds (distance) C4'-P energy: -66.085 bonds (distance) P-C4' energy: -84.074 flat angles C4'-P-C4' energy: -84.621 flat angles P-C4'-P energy: -52.999 tors. eta vs tors. theta energy: -40.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -768.382178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.382178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.382178 (E_RNA) where: Base-Base interactions energy: -468.638 where: short stacking energy: -246.992 Base-Backbone interact. energy: -1.627 local terms energy: -298.116994 where: bonds (distance) C4'-P energy: -77.167 bonds (distance) P-C4' energy: -67.059 flat angles C4'-P-C4' energy: -70.604 flat angles P-C4'-P energy: -38.579 tors. eta vs tors. theta energy: -44.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -577.982260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.982260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.982260 (E_RNA) where: Base-Base interactions energy: -324.160 where: short stacking energy: -154.916 Base-Backbone interact. energy: 0.270 local terms energy: -254.092717 where: bonds (distance) C4'-P energy: -52.798 bonds (distance) P-C4' energy: -85.651 flat angles C4'-P-C4' energy: -75.757 flat angles P-C4'-P energy: -38.078 tors. eta vs tors. theta energy: -1.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1858.862524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.862524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.862524 (E_RNA) where: Base-Base interactions energy: -1311.979 where: short stacking energy: -541.846 Base-Backbone interact. energy: -2.672 local terms energy: -544.211858 where: bonds (distance) C4'-P energy: -94.985 bonds (distance) P-C4' energy: -99.516 flat angles C4'-P-C4' energy: -113.342 flat angles P-C4'-P energy: -83.746 tors. eta vs tors. theta energy: -152.622 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: 5 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1767.027904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.027904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.027904 (E_RNA) where: Base-Base interactions energy: -1241.148 where: short stacking energy: -507.878 Base-Backbone interact. energy: -1.788 local terms energy: -524.091794 where: bonds (distance) C4'-P energy: -99.948 bonds (distance) P-C4' energy: -91.771 flat angles C4'-P-C4' energy: -115.981 flat angles P-C4'-P energy: -78.047 tors. eta vs tors. theta energy: -138.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1689.204135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.204135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.204135 (E_RNA) where: Base-Base interactions energy: -1208.099 where: short stacking energy: -484.887 Base-Backbone interact. energy: -3.370 local terms energy: -477.734922 where: bonds (distance) C4'-P energy: -82.734 bonds (distance) P-C4' energy: -86.068 flat angles C4'-P-C4' energy: -108.129 flat angles P-C4'-P energy: -74.085 tors. eta vs tors. theta energy: -126.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1596.386739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.386739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.386739 (E_RNA) where: Base-Base interactions energy: -1106.545 where: short stacking energy: -497.783 Base-Backbone interact. energy: 0.035 local terms energy: -489.876654 where: bonds (distance) C4'-P energy: -93.888 bonds (distance) P-C4' energy: -86.147 flat angles C4'-P-C4' energy: -98.282 flat angles P-C4'-P energy: -74.576 tors. eta vs tors. theta energy: -136.984 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: 4 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -1498.124614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.124614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.124614 (E_RNA) where: Base-Base interactions energy: -1035.971 where: short stacking energy: -454.642 Base-Backbone interact. energy: -2.081 local terms energy: -460.073346 where: bonds (distance) C4'-P energy: -86.275 bonds (distance) P-C4' energy: -92.729 flat angles C4'-P-C4' energy: -91.075 flat angles P-C4'-P energy: -59.858 tors. eta vs tors. theta energy: -130.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -1391.310528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.310528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.310528 (E_RNA) where: Base-Base interactions energy: -949.345 where: short stacking energy: -404.523 Base-Backbone interact. energy: -0.799 local terms energy: -441.166078 where: bonds (distance) C4'-P energy: -91.499 bonds (distance) P-C4' energy: -88.606 flat angles C4'-P-C4' energy: -107.092 flat angles P-C4'-P energy: -60.482 tors. eta vs tors. theta energy: -93.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -1248.209189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.209189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.209189 (E_RNA) where: Base-Base interactions energy: -821.648 where: short stacking energy: -354.439 Base-Backbone interact. energy: -0.810 local terms energy: -425.750963 where: bonds (distance) C4'-P energy: -93.821 bonds (distance) P-C4' energy: -87.581 flat angles C4'-P-C4' energy: -87.828 flat angles P-C4'-P energy: -70.267 tors. eta vs tors. theta energy: -86.253 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: 196 Temperature: 1.250000 Total energy: -936.333908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.333908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.333908 (E_RNA) where: Base-Base interactions energy: -587.838 where: short stacking energy: -254.673 Base-Backbone interact. energy: -2.105 local terms energy: -346.390077 where: bonds (distance) C4'-P energy: -80.801 bonds (distance) P-C4' energy: -87.089 flat angles C4'-P-C4' energy: -81.694 flat angles P-C4'-P energy: -57.895 tors. eta vs tors. theta energy: -38.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -685.701864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.701864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.701864 (E_RNA) where: Base-Base interactions energy: -397.168 where: short stacking energy: -198.934 Base-Backbone interact. energy: 3.362 local terms energy: -291.896126 where: bonds (distance) C4'-P energy: -83.672 bonds (distance) P-C4' energy: -62.561 flat angles C4'-P-C4' energy: -71.667 flat angles P-C4'-P energy: -52.827 tors. eta vs tors. theta energy: -21.170 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: 196 Temperature: 1.350000 Total energy: -614.848205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.848205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.848205 (E_RNA) where: Base-Base interactions energy: -334.925 where: short stacking energy: -202.166 Base-Backbone interact. energy: -0.252 local terms energy: -279.671774 where: bonds (distance) C4'-P energy: -73.814 bonds (distance) P-C4' energy: -84.738 flat angles C4'-P-C4' energy: -62.571 flat angles P-C4'-P energy: -46.750 tors. eta vs tors. theta energy: -11.799 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: 1, replica: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1872.555719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.555719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.555719 (E_RNA) where: Base-Base interactions energy: -1328.445 where: short stacking energy: -550.110 Base-Backbone interact. energy: 0.666 local terms energy: -544.776295 where: bonds (distance) C4'-P energy: -108.157 bonds (distance) P-C4' energy: -103.670 flat angles C4'-P-C4' energy: -104.095 flat angles P-C4'-P energy: -68.017 tors. eta vs tors. theta energy: -160.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1759.763212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.763212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.763212 (E_RNA) where: Base-Base interactions energy: -1241.786 where: short stacking energy: -521.073 Base-Backbone interact. energy: -0.794 local terms energy: -517.182594 where: bonds (distance) C4'-P energy: -85.926 bonds (distance) P-C4' energy: -88.801 flat angles C4'-P-C4' energy: -108.149 flat angles P-C4'-P energy: -83.267 tors. eta vs tors. theta energy: -151.041 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: 197 Temperature: 1.000000 Total energy: -1664.963864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1664.963864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1664.963864 (E_RNA) where: Base-Base interactions energy: -1150.024 where: short stacking energy: -489.779 Base-Backbone interact. energy: -2.684 local terms energy: -512.255695 where: bonds (distance) C4'-P energy: -95.864 bonds (distance) P-C4' energy: -90.305 flat angles C4'-P-C4' energy: -116.540 flat angles P-C4'-P energy: -76.674 tors. eta vs tors. theta energy: -132.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1629.666130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.666130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.666130 (E_RNA) where: Base-Base interactions energy: -1129.748 where: short stacking energy: -499.803 Base-Backbone interact. energy: 0.488 local terms energy: -500.405958 where: bonds (distance) C4'-P energy: -91.887 bonds (distance) P-C4' energy: -92.635 flat angles C4'-P-C4' energy: -109.481 flat angles P-C4'-P energy: -73.732 tors. eta vs tors. theta energy: -132.671 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: 4 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -1514.653914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.653914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.653914 (E_RNA) where: Base-Base interactions energy: -1065.514 where: short stacking energy: -454.712 Base-Backbone interact. energy: -1.940 local terms energy: -447.200331 where: bonds (distance) C4'-P energy: -76.727 bonds (distance) P-C4' energy: -84.783 flat angles C4'-P-C4' energy: -100.460 flat angles P-C4'-P energy: -62.290 tors. eta vs tors. theta energy: -122.940 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: 7 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -1425.040755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.040755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.040755 (E_RNA) where: Base-Base interactions energy: -991.406 where: short stacking energy: -397.498 Base-Backbone interact. energy: -3.014 local terms energy: -430.621368 where: bonds (distance) C4'-P energy: -87.979 bonds (distance) P-C4' energy: -83.865 flat angles C4'-P-C4' energy: -89.721 flat angles P-C4'-P energy: -61.607 tors. eta vs tors. theta energy: -107.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -1215.219485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.219485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.219485 (E_RNA) where: Base-Base interactions energy: -822.226 where: short stacking energy: -332.961 Base-Backbone interact. energy: -0.333 local terms energy: -392.659984 where: bonds (distance) C4'-P energy: -78.542 bonds (distance) P-C4' energy: -74.899 flat angles C4'-P-C4' energy: -100.318 flat angles P-C4'-P energy: -59.291 tors. eta vs tors. theta energy: -79.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -988.506196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.506196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.506196 (E_RNA) where: Base-Base interactions energy: -631.639 where: short stacking energy: -286.740 Base-Backbone interact. energy: -3.741 local terms energy: -353.126104 where: bonds (distance) C4'-P energy: -80.248 bonds (distance) P-C4' energy: -85.856 flat angles C4'-P-C4' energy: -75.145 flat angles P-C4'-P energy: -57.335 tors. eta vs tors. theta energy: -54.542 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: 9, replica: 2 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -753.298503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.298503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.298503 (E_RNA) where: Base-Base interactions energy: -468.199 where: short stacking energy: -225.131 Base-Backbone interact. energy: -2.163 local terms energy: -282.936662 where: bonds (distance) C4'-P energy: -61.736 bonds (distance) P-C4' energy: -88.102 flat angles C4'-P-C4' energy: -76.369 flat angles P-C4'-P energy: -29.490 tors. eta vs tors. theta energy: -27.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -654.961921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.961921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.961921 (E_RNA) where: Base-Base interactions energy: -337.215 where: short stacking energy: -185.002 Base-Backbone interact. energy: -2.906 local terms energy: -314.841479 where: bonds (distance) C4'-P energy: -88.870 bonds (distance) P-C4' energy: -73.449 flat angles C4'-P-C4' energy: -78.396 flat angles P-C4'-P energy: -54.341 tors. eta vs tors. theta energy: -19.785 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: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1864.665312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.665312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.665312 (E_RNA) where: Base-Base interactions energy: -1319.000 where: short stacking energy: -558.123 Base-Backbone interact. energy: -0.955 local terms energy: -544.710416 where: bonds (distance) C4'-P energy: -101.077 bonds (distance) P-C4' energy: -98.557 flat angles C4'-P-C4' energy: -115.135 flat angles P-C4'-P energy: -63.871 tors. eta vs tors. theta energy: -166.071 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: 198 Temperature: 0.950000 Total energy: -1783.163630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.163630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.163630 (E_RNA) where: Base-Base interactions energy: -1234.082 where: short stacking energy: -520.271 Base-Backbone interact. energy: -3.453 local terms energy: -545.628447 where: bonds (distance) C4'-P energy: -103.354 bonds (distance) P-C4' energy: -101.240 flat angles C4'-P-C4' energy: -121.304 flat angles P-C4'-P energy: -77.149 tors. eta vs tors. theta energy: -142.580 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: 3, replica: 3 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1671.226674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.226674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.226674 (E_RNA) where: Base-Base interactions energy: -1160.789 where: short stacking energy: -490.388 Base-Backbone interact. energy: 0.624 local terms energy: -511.061115 where: bonds (distance) C4'-P energy: -93.745 bonds (distance) P-C4' energy: -95.659 flat angles C4'-P-C4' energy: -122.152 flat angles P-C4'-P energy: -68.940 tors. eta vs tors. theta energy: -130.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1625.988363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.988363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.988363 (E_RNA) where: Base-Base interactions energy: -1137.773 where: short stacking energy: -490.213 Base-Backbone interact. energy: -1.833 local terms energy: -486.382323 where: bonds (distance) C4'-P energy: -93.515 bonds (distance) P-C4' energy: -83.593 flat angles C4'-P-C4' energy: -103.396 flat angles P-C4'-P energy: -67.720 tors. eta vs tors. theta energy: -138.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -1525.705241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.705241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.705241 (E_RNA) where: Base-Base interactions energy: -1060.406 where: short stacking energy: -455.583 Base-Backbone interact. energy: 1.286 local terms energy: -466.584866 where: bonds (distance) C4'-P energy: -92.485 bonds (distance) P-C4' energy: -78.483 flat angles C4'-P-C4' energy: -101.950 flat angles P-C4'-P energy: -58.137 tors. eta vs tors. theta energy: -135.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -1433.527448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.527448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.527448 (E_RNA) where: Base-Base interactions energy: -979.135 where: short stacking energy: -400.105 Base-Backbone interact. energy: -2.272 local terms energy: -452.120839 where: bonds (distance) C4'-P energy: -92.252 bonds (distance) P-C4' energy: -75.071 flat angles C4'-P-C4' energy: -107.243 flat angles P-C4'-P energy: -66.608 tors. eta vs tors. theta energy: -110.947 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: 1 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -1236.770201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.770201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.770201 (E_RNA) where: Base-Base interactions energy: -836.551 where: short stacking energy: -363.919 Base-Backbone interact. energy: -1.015 local terms energy: -399.204306 where: bonds (distance) C4'-P energy: -58.188 bonds (distance) P-C4' energy: -98.257 flat angles C4'-P-C4' energy: -100.714 flat angles P-C4'-P energy: -57.119 tors. eta vs tors. theta energy: -84.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -1048.395235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.395235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.395235 (E_RNA) where: Base-Base interactions energy: -680.054 where: short stacking energy: -308.232 Base-Backbone interact. energy: 0.419 local terms energy: -368.760798 where: bonds (distance) C4'-P energy: -64.577 bonds (distance) P-C4' energy: -91.264 flat angles C4'-P-C4' energy: -106.947 flat angles P-C4'-P energy: -49.866 tors. eta vs tors. theta energy: -56.107 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: 2 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -801.758142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.758142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.758142 (E_RNA) where: Base-Base interactions energy: -471.003 where: short stacking energy: -224.690 Base-Backbone interact. energy: -0.107 local terms energy: -330.648039 where: bonds (distance) C4'-P energy: -70.334 bonds (distance) P-C4' energy: -90.574 flat angles C4'-P-C4' energy: -71.682 flat angles P-C4'-P energy: -61.909 tors. eta vs tors. theta energy: -36.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -654.040138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.040138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.040138 (E_RNA) where: Base-Base interactions energy: -378.667 where: short stacking energy: -211.791 Base-Backbone interact. energy: -1.287 local terms energy: -274.086290 where: bonds (distance) C4'-P energy: -78.164 bonds (distance) P-C4' energy: -83.883 flat angles C4'-P-C4' energy: -68.616 flat angles P-C4'-P energy: -31.724 tors. eta vs tors. theta energy: -11.700 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: 1, replica: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1869.502220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.502220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.502220 (E_RNA) where: Base-Base interactions energy: -1326.539 where: short stacking energy: -557.990 Base-Backbone interact. energy: -3.817 local terms energy: -539.145742 where: bonds (distance) C4'-P energy: -79.801 bonds (distance) P-C4' energy: -104.697 flat angles C4'-P-C4' energy: -110.949 flat angles P-C4'-P energy: -81.212 tors. eta vs tors. theta energy: -162.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1765.685478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.685478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.685478 (E_RNA) where: Base-Base interactions energy: -1246.929 where: short stacking energy: -527.346 Base-Backbone interact. energy: -1.965 local terms energy: -516.791629 where: bonds (distance) C4'-P energy: -90.965 bonds (distance) P-C4' energy: -93.478 flat angles C4'-P-C4' energy: -112.061 flat angles P-C4'-P energy: -68.296 tors. eta vs tors. theta energy: -151.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1667.240433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.240433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.240433 (E_RNA) where: Base-Base interactions energy: -1137.945 where: short stacking energy: -499.647 Base-Backbone interact. energy: 2.356 local terms energy: -531.650754 where: bonds (distance) C4'-P energy: -95.859 bonds (distance) P-C4' energy: -102.185 flat angles C4'-P-C4' energy: -110.169 flat angles P-C4'-P energy: -77.787 tors. eta vs tors. theta energy: -145.651 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: 9 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -1630.258301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.258301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.258301 (E_RNA) where: Base-Base interactions energy: -1144.026 where: short stacking energy: -515.381 Base-Backbone interact. energy: 0.174 local terms energy: -486.405560 where: bonds (distance) C4'-P energy: -84.023 bonds (distance) P-C4' energy: -94.121 flat angles C4'-P-C4' energy: -107.193 flat angles P-C4'-P energy: -67.271 tors. eta vs tors. theta energy: -133.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1515.227283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.227283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.227283 (E_RNA) where: Base-Base interactions energy: -1060.971 where: short stacking energy: -456.955 Base-Backbone interact. energy: -0.814 local terms energy: -453.441881 where: bonds (distance) C4'-P energy: -81.592 bonds (distance) P-C4' energy: -89.275 flat angles C4'-P-C4' energy: -97.280 flat angles P-C4'-P energy: -58.221 tors. eta vs tors. theta energy: -127.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -1469.570554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.570554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.570554 (E_RNA) where: Base-Base interactions energy: -1005.698 where: short stacking energy: -401.159 Base-Backbone interact. energy: -2.289 local terms energy: -461.583585 where: bonds (distance) C4'-P energy: -93.117 bonds (distance) P-C4' energy: -96.230 flat angles C4'-P-C4' energy: -88.501 flat angles P-C4'-P energy: -68.809 tors. eta vs tors. theta energy: -114.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -1233.993202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.993202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.993202 (E_RNA) where: Base-Base interactions energy: -840.277 where: short stacking energy: -385.303 Base-Backbone interact. energy: 3.121 local terms energy: -396.837323 where: bonds (distance) C4'-P energy: -82.465 bonds (distance) P-C4' energy: -84.236 flat angles C4'-P-C4' energy: -82.580 flat angles P-C4'-P energy: -54.314 tors. eta vs tors. theta energy: -93.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -1086.666740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.666740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.666740 (E_RNA) where: Base-Base interactions energy: -726.971 where: short stacking energy: -314.370 Base-Backbone interact. energy: 1.937 local terms energy: -361.632963 where: bonds (distance) C4'-P energy: -92.699 bonds (distance) P-C4' energy: -72.004 flat angles C4'-P-C4' energy: -80.658 flat angles P-C4'-P energy: -50.829 tors. eta vs tors. theta energy: -65.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -820.700544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.700544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.700544 (E_RNA) where: Base-Base interactions energy: -492.246 where: short stacking energy: -240.816 Base-Backbone interact. energy: -1.673 local terms energy: -326.780962 where: bonds (distance) C4'-P energy: -94.354 bonds (distance) P-C4' energy: -80.883 flat angles C4'-P-C4' energy: -84.627 flat angles P-C4'-P energy: -24.812 tors. eta vs tors. theta energy: -42.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -615.348633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.348633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.348633 (E_RNA) where: Base-Base interactions energy: -342.803 where: short stacking energy: -178.123 Base-Backbone interact. energy: 1.222 local terms energy: -273.767345 where: bonds (distance) C4'-P energy: -71.324 bonds (distance) P-C4' energy: -70.835 flat angles C4'-P-C4' energy: -91.329 flat angles P-C4'-P energy: -34.134 tors. eta vs tors. theta energy: -6.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1856.170071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.170071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.170071 (E_RNA) where: Base-Base interactions energy: -1322.958 where: short stacking energy: -555.617 Base-Backbone interact. energy: -2.160 local terms energy: -531.051430 where: bonds (distance) C4'-P energy: -86.747 bonds (distance) P-C4' energy: -110.253 flat angles C4'-P-C4' energy: -110.296 flat angles P-C4'-P energy: -70.405 tors. eta vs tors. theta energy: -153.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -1755.686534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.686534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.686534 (E_RNA) where: Base-Base interactions energy: -1244.445 where: short stacking energy: -527.008 Base-Backbone interact. energy: -3.555 local terms energy: -507.686098 where: bonds (distance) C4'-P energy: -96.053 bonds (distance) P-C4' energy: -91.807 flat angles C4'-P-C4' energy: -108.165 flat angles P-C4'-P energy: -68.748 tors. eta vs tors. theta energy: -142.913 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: 3, replica: 3 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1652.405521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.405521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.405521 (E_RNA) where: Base-Base interactions energy: -1154.155 where: short stacking energy: -504.180 Base-Backbone interact. energy: -0.789 local terms energy: -497.460754 where: bonds (distance) C4'-P energy: -93.001 bonds (distance) P-C4' energy: -98.385 flat angles C4'-P-C4' energy: -104.632 flat angles P-C4'-P energy: -62.743 tors. eta vs tors. theta energy: -138.700 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: 4, replica: 9 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1585.705423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.705423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.705423 (E_RNA) where: Base-Base interactions energy: -1092.704 where: short stacking energy: -491.455 Base-Backbone interact. energy: -2.432 local terms energy: -490.569667 where: bonds (distance) C4'-P energy: -91.629 bonds (distance) P-C4' energy: -100.052 flat angles C4'-P-C4' energy: -107.448 flat angles P-C4'-P energy: -67.278 tors. eta vs tors. theta energy: -124.163 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: 5, replica: 4 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1562.199512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.199512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.199512 (E_RNA) where: Base-Base interactions energy: -1073.641 where: short stacking energy: -467.383 Base-Backbone interact. energy: 0.280 local terms energy: -488.838562 where: bonds (distance) C4'-P energy: -82.611 bonds (distance) P-C4' energy: -87.285 flat angles C4'-P-C4' energy: -104.211 flat angles P-C4'-P energy: -72.327 tors. eta vs tors. theta energy: -142.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -1464.636784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.636784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.636784 (E_RNA) where: Base-Base interactions energy: -1026.019 where: short stacking energy: -401.345 Base-Backbone interact. energy: -1.766 local terms energy: -436.851768 where: bonds (distance) C4'-P energy: -89.193 bonds (distance) P-C4' energy: -92.913 flat angles C4'-P-C4' energy: -87.043 flat angles P-C4'-P energy: -62.856 tors. eta vs tors. theta energy: -104.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -1243.127907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.127907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.127907 (E_RNA) where: Base-Base interactions energy: -812.700 where: short stacking energy: -367.967 Base-Backbone interact. energy: -3.132 local terms energy: -427.295577 where: bonds (distance) C4'-P energy: -86.890 bonds (distance) P-C4' energy: -84.602 flat angles C4'-P-C4' energy: -91.906 flat angles P-C4'-P energy: -67.805 tors. eta vs tors. theta energy: -96.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -1075.303578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.303578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.303578 (E_RNA) where: Base-Base interactions energy: -726.939 where: short stacking energy: -304.342 Base-Backbone interact. energy: -2.008 local terms energy: -346.356185 where: bonds (distance) C4'-P energy: -74.148 bonds (distance) P-C4' energy: -76.429 flat angles C4'-P-C4' energy: -84.807 flat angles P-C4'-P energy: -46.874 tors. eta vs tors. theta energy: -64.098 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: 2 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -819.799004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.799004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.799004 (E_RNA) where: Base-Base interactions energy: -521.909 where: short stacking energy: -256.100 Base-Backbone interact. energy: 2.352 local terms energy: -300.242822 where: bonds (distance) C4'-P energy: -66.792 bonds (distance) P-C4' energy: -67.337 flat angles C4'-P-C4' energy: -79.308 flat angles P-C4'-P energy: -51.841 tors. eta vs tors. theta energy: -34.964 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: 200 Temperature: 1.350000 Total energy: -623.862269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.862269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.862269 (E_RNA) where: Base-Base interactions energy: -324.312 where: short stacking energy: -184.225 Base-Backbone interact. energy: 2.161 local terms energy: -301.710915 where: bonds (distance) C4'-P energy: -82.441 bonds (distance) P-C4' energy: -83.307 flat angles C4'-P-C4' energy: -67.838 flat angles P-C4'-P energy: -51.506 tors. eta vs tors. theta energy: -16.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1855.774704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.774704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.774704 (E_RNA) where: Base-Base interactions energy: -1311.374 where: short stacking energy: -577.536 Base-Backbone interact. energy: -0.891 local terms energy: -543.509572 where: bonds (distance) C4'-P energy: -91.607 bonds (distance) P-C4' energy: -98.380 flat angles C4'-P-C4' energy: -114.641 flat angles P-C4'-P energy: -78.819 tors. eta vs tors. theta energy: -160.063 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: 201 Temperature: 0.950000 Total energy: -1680.391172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.391172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.391172 (E_RNA) where: Base-Base interactions energy: -1163.412 where: short stacking energy: -505.875 Base-Backbone interact. energy: -1.882 local terms energy: -515.097501 where: bonds (distance) C4'-P energy: -93.494 bonds (distance) P-C4' energy: -101.606 flat angles C4'-P-C4' energy: -102.076 flat angles P-C4'-P energy: -77.784 tors. eta vs tors. theta energy: -140.137 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: 3, replica: 5 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1738.310471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.310471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.310471 (E_RNA) where: Base-Base interactions energy: -1229.610 where: short stacking energy: -523.428 Base-Backbone interact. energy: -3.459 local terms energy: -505.241080 where: bonds (distance) C4'-P energy: -95.041 bonds (distance) P-C4' energy: -98.279 flat angles C4'-P-C4' energy: -101.081 flat angles P-C4'-P energy: -69.518 tors. eta vs tors. theta energy: -141.321 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: 201 Temperature: 1.050000 Total energy: -1571.941926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.941926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.941926 (E_RNA) where: Base-Base interactions energy: -1093.346 where: short stacking energy: -481.981 Base-Backbone interact. energy: -1.103 local terms energy: -477.492486 where: bonds (distance) C4'-P energy: -71.461 bonds (distance) P-C4' energy: -92.688 flat angles C4'-P-C4' energy: -102.661 flat angles P-C4'-P energy: -69.029 tors. eta vs tors. theta energy: -141.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -1536.425859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.425859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.425859 (E_RNA) where: Base-Base interactions energy: -1041.834 where: short stacking energy: -474.594 Base-Backbone interact. energy: 0.737 local terms energy: -495.329132 where: bonds (distance) C4'-P energy: -93.804 bonds (distance) P-C4' energy: -93.203 flat angles C4'-P-C4' energy: -99.826 flat angles P-C4'-P energy: -72.882 tors. eta vs tors. theta energy: -135.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -1419.626889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.626889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.626889 (E_RNA) where: Base-Base interactions energy: -977.066 where: short stacking energy: -384.724 Base-Backbone interact. energy: -1.289 local terms energy: -441.271827 where: bonds (distance) C4'-P energy: -96.851 bonds (distance) P-C4' energy: -82.598 flat angles C4'-P-C4' energy: -95.872 flat angles P-C4'-P energy: -60.411 tors. eta vs tors. theta energy: -105.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -1212.982967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1212.982967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1212.982967 (E_RNA) where: Base-Base interactions energy: -796.868 where: short stacking energy: -353.275 Base-Backbone interact. energy: -1.426 local terms energy: -414.689274 where: bonds (distance) C4'-P energy: -88.819 bonds (distance) P-C4' energy: -86.005 flat angles C4'-P-C4' energy: -108.335 flat angles P-C4'-P energy: -55.137 tors. eta vs tors. theta energy: -76.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -1101.761746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.761746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.761746 (E_RNA) where: Base-Base interactions energy: -765.502 where: short stacking energy: -298.985 Base-Backbone interact. energy: -0.327 local terms energy: -335.932493 where: bonds (distance) C4'-P energy: -74.814 bonds (distance) P-C4' energy: -76.421 flat angles C4'-P-C4' energy: -84.836 flat angles P-C4'-P energy: -39.003 tors. eta vs tors. theta energy: -60.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -835.090791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.090791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.090791 (E_RNA) where: Base-Base interactions energy: -505.807 where: short stacking energy: -247.631 Base-Backbone interact. energy: 6.787 local terms energy: -336.070772 where: bonds (distance) C4'-P energy: -80.773 bonds (distance) P-C4' energy: -87.595 flat angles C4'-P-C4' energy: -74.601 flat angles P-C4'-P energy: -44.446 tors. eta vs tors. theta energy: -48.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -618.637623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.637623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.637623 (E_RNA) where: Base-Base interactions energy: -344.189 where: short stacking energy: -188.771 Base-Backbone interact. energy: -2.496 local terms energy: -271.953021 where: bonds (distance) C4'-P energy: -80.188 bonds (distance) P-C4' energy: -82.531 flat angles C4'-P-C4' energy: -81.969 flat angles P-C4'-P energy: -21.812 tors. eta vs tors. theta energy: -5.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1836.667115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.667115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.667115 (E_RNA) where: Base-Base interactions energy: -1319.339 where: short stacking energy: -551.992 Base-Backbone interact. energy: -0.677 local terms energy: -516.651004 where: bonds (distance) C4'-P energy: -90.595 bonds (distance) P-C4' energy: -102.527 flat angles C4'-P-C4' energy: -106.657 flat angles P-C4'-P energy: -65.514 tors. eta vs tors. theta energy: -151.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1718.368927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.368927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.368927 (E_RNA) where: Base-Base interactions energy: -1192.371 where: short stacking energy: -508.068 Base-Backbone interact. energy: -1.656 local terms energy: -524.341812 where: bonds (distance) C4'-P energy: -97.864 bonds (distance) P-C4' energy: -99.496 flat angles C4'-P-C4' energy: -101.821 flat angles P-C4'-P energy: -76.643 tors. eta vs tors. theta energy: -148.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1740.649756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.649756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.649756 (E_RNA) where: Base-Base interactions energy: -1224.098 where: short stacking energy: -519.051 Base-Backbone interact. energy: -1.124 local terms energy: -515.428039 where: bonds (distance) C4'-P energy: -94.397 bonds (distance) P-C4' energy: -100.505 flat angles C4'-P-C4' energy: -102.411 flat angles P-C4'-P energy: -71.506 tors. eta vs tors. theta energy: -146.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1586.732665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.732665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.732665 (E_RNA) where: Base-Base interactions energy: -1107.280 where: short stacking energy: -480.662 Base-Backbone interact. energy: 1.218 local terms energy: -480.671251 where: bonds (distance) C4'-P energy: -86.406 bonds (distance) P-C4' energy: -83.671 flat angles C4'-P-C4' energy: -100.397 flat angles P-C4'-P energy: -75.623 tors. eta vs tors. theta energy: -134.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -1528.541961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.541961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.541961 (E_RNA) where: Base-Base interactions energy: -1049.869 where: short stacking energy: -438.329 Base-Backbone interact. energy: 1.875 local terms energy: -480.547284 where: bonds (distance) C4'-P energy: -86.919 bonds (distance) P-C4' energy: -92.436 flat angles C4'-P-C4' energy: -104.705 flat angles P-C4'-P energy: -69.242 tors. eta vs tors. theta energy: -127.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -1400.931165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.931165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.931165 (E_RNA) where: Base-Base interactions energy: -977.239 where: short stacking energy: -409.636 Base-Backbone interact. energy: -0.250 local terms energy: -423.442777 where: bonds (distance) C4'-P energy: -81.774 bonds (distance) P-C4' energy: -76.910 flat angles C4'-P-C4' energy: -90.893 flat angles P-C4'-P energy: -61.736 tors. eta vs tors. theta energy: -112.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -1226.857212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.857212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.857212 (E_RNA) where: Base-Base interactions energy: -798.487 where: short stacking energy: -381.870 Base-Backbone interact. energy: -3.450 local terms energy: -424.919943 where: bonds (distance) C4'-P energy: -88.430 bonds (distance) P-C4' energy: -89.126 flat angles C4'-P-C4' energy: -92.890 flat angles P-C4'-P energy: -52.875 tors. eta vs tors. theta energy: -101.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -1068.697535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.697535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.697535 (E_RNA) where: Base-Base interactions energy: -742.552 where: short stacking energy: -308.082 Base-Backbone interact. energy: 0.860 local terms energy: -327.005950 where: bonds (distance) C4'-P energy: -65.501 bonds (distance) P-C4' energy: -67.790 flat angles C4'-P-C4' energy: -75.398 flat angles P-C4'-P energy: -63.361 tors. eta vs tors. theta energy: -54.956 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: 2 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -786.389076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.389076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.389076 (E_RNA) where: Base-Base interactions energy: -472.166 where: short stacking energy: -222.739 Base-Backbone interact. energy: -1.289 local terms energy: -312.934756 where: bonds (distance) C4'-P energy: -76.798 bonds (distance) P-C4' energy: -89.695 flat angles C4'-P-C4' energy: -78.632 flat angles P-C4'-P energy: -41.392 tors. eta vs tors. theta energy: -26.419 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: 202 Temperature: 1.350000 Total energy: -539.016826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.016826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.016826 (E_RNA) where: Base-Base interactions energy: -286.962 where: short stacking energy: -160.014 Base-Backbone interact. energy: 9.431 local terms energy: -261.485242 where: bonds (distance) C4'-P energy: -74.101 bonds (distance) P-C4' energy: -82.152 flat angles C4'-P-C4' energy: -67.489 flat angles P-C4'-P energy: -38.851 tors. eta vs tors. theta energy: 1.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1836.028215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1836.028215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1836.028215 (E_RNA) where: Base-Base interactions energy: -1293.840 where: short stacking energy: -564.382 Base-Backbone interact. energy: -3.479 local terms energy: -538.710144 where: bonds (distance) C4'-P energy: -89.364 bonds (distance) P-C4' energy: -98.370 flat angles C4'-P-C4' energy: -108.864 flat angles P-C4'-P energy: -86.701 tors. eta vs tors. theta energy: -155.412 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: 5 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1756.657270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.657270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.657270 (E_RNA) where: Base-Base interactions energy: -1246.949 where: short stacking energy: -524.864 Base-Backbone interact. energy: -0.680 local terms energy: -509.027938 where: bonds (distance) C4'-P energy: -87.212 bonds (distance) P-C4' energy: -101.540 flat angles C4'-P-C4' energy: -110.454 flat angles P-C4'-P energy: -68.136 tors. eta vs tors. theta energy: -141.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1663.284333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.284333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.284333 (E_RNA) where: Base-Base interactions energy: -1156.229 where: short stacking energy: -506.071 Base-Backbone interact. energy: -2.494 local terms energy: -504.561373 where: bonds (distance) C4'-P energy: -97.900 bonds (distance) P-C4' energy: -86.806 flat angles C4'-P-C4' energy: -108.964 flat angles P-C4'-P energy: -71.360 tors. eta vs tors. theta energy: -139.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1564.673926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.673926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.673926 (E_RNA) where: Base-Base interactions energy: -1084.766 where: short stacking energy: -486.883 Base-Backbone interact. energy: -1.034 local terms energy: -478.873754 where: bonds (distance) C4'-P energy: -82.154 bonds (distance) P-C4' energy: -81.659 flat angles C4'-P-C4' energy: -108.124 flat angles P-C4'-P energy: -71.386 tors. eta vs tors. theta energy: -135.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1523.870030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.870030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.870030 (E_RNA) where: Base-Base interactions energy: -1059.513 where: short stacking energy: -451.686 Base-Backbone interact. energy: -3.513 local terms energy: -460.844539 where: bonds (distance) C4'-P energy: -75.623 bonds (distance) P-C4' energy: -85.362 flat angles C4'-P-C4' energy: -108.402 flat angles P-C4'-P energy: -68.476 tors. eta vs tors. theta energy: -122.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -1396.373498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.373498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.373498 (E_RNA) where: Base-Base interactions energy: -1002.220 where: short stacking energy: -409.875 Base-Backbone interact. energy: 7.263 local terms energy: -401.415914 where: bonds (distance) C4'-P energy: -77.425 bonds (distance) P-C4' energy: -71.819 flat angles C4'-P-C4' energy: -101.990 flat angles P-C4'-P energy: -56.055 tors. eta vs tors. theta energy: -94.127 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: 7, replica: 1 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -1186.800744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.800744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.800744 (E_RNA) where: Base-Base interactions energy: -770.882 where: short stacking energy: -331.470 Base-Backbone interact. energy: 0.263 local terms energy: -416.181414 where: bonds (distance) C4'-P energy: -82.195 bonds (distance) P-C4' energy: -91.019 flat angles C4'-P-C4' energy: -91.755 flat angles P-C4'-P energy: -63.517 tors. eta vs tors. theta energy: -87.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -1051.420960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.420960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.420960 (E_RNA) where: Base-Base interactions energy: -684.778 where: short stacking energy: -311.676 Base-Backbone interact. energy: 2.550 local terms energy: -369.193044 where: bonds (distance) C4'-P energy: -80.828 bonds (distance) P-C4' energy: -87.169 flat angles C4'-P-C4' energy: -97.996 flat angles P-C4'-P energy: -50.979 tors. eta vs tors. theta energy: -52.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -860.425491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.425491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.425491 (E_RNA) where: Base-Base interactions energy: -520.100 where: short stacking energy: -225.695 Base-Backbone interact. energy: -2.008 local terms energy: -338.318244 where: bonds (distance) C4'-P energy: -85.764 bonds (distance) P-C4' energy: -91.427 flat angles C4'-P-C4' energy: -82.920 flat angles P-C4'-P energy: -53.113 tors. eta vs tors. theta energy: -25.094 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: 203 Temperature: 1.350000 Total energy: -565.149811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.149811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.149811 (E_RNA) where: Base-Base interactions energy: -290.316 where: short stacking energy: -144.025 Base-Backbone interact. energy: 3.378 local terms energy: -278.211933 where: bonds (distance) C4'-P energy: -88.255 bonds (distance) P-C4' energy: -89.356 flat angles C4'-P-C4' energy: -70.447 flat angles P-C4'-P energy: -43.322 tors. eta vs tors. theta energy: 13.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1852.523357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1852.523357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1852.523357 (E_RNA) where: Base-Base interactions energy: -1296.815 where: short stacking energy: -550.761 Base-Backbone interact. energy: -2.994 local terms energy: -552.714510 where: bonds (distance) C4'-P energy: -98.789 bonds (distance) P-C4' energy: -102.535 flat angles C4'-P-C4' energy: -114.746 flat angles P-C4'-P energy: -73.948 tors. eta vs tors. theta energy: -162.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1780.693073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.693073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.693073 (E_RNA) where: Base-Base interactions energy: -1249.427 where: short stacking energy: -522.012 Base-Backbone interact. energy: -3.767 local terms energy: -527.499116 where: bonds (distance) C4'-P energy: -99.407 bonds (distance) P-C4' energy: -102.449 flat angles C4'-P-C4' energy: -99.984 flat angles P-C4'-P energy: -78.864 tors. eta vs tors. theta energy: -146.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1653.495023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.495023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.495023 (E_RNA) where: Base-Base interactions energy: -1137.283 where: short stacking energy: -486.004 Base-Backbone interact. energy: -2.603 local terms energy: -513.609450 where: bonds (distance) C4'-P energy: -94.405 bonds (distance) P-C4' energy: -90.598 flat angles C4'-P-C4' energy: -111.222 flat angles P-C4'-P energy: -84.383 tors. eta vs tors. theta energy: -133.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1573.470590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.470590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.470590 (E_RNA) where: Base-Base interactions energy: -1099.787 where: short stacking energy: -476.328 Base-Backbone interact. energy: 0.044 local terms energy: -473.726724 where: bonds (distance) C4'-P energy: -104.313 bonds (distance) P-C4' energy: -78.561 flat angles C4'-P-C4' energy: -92.204 flat angles P-C4'-P energy: -65.647 tors. eta vs tors. theta energy: -133.002 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: 5, replica: 9 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -1530.517880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.517880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.517880 (E_RNA) where: Base-Base interactions energy: -1042.793 where: short stacking energy: -450.444 Base-Backbone interact. energy: -1.821 local terms energy: -485.903599 where: bonds (distance) C4'-P energy: -92.704 bonds (distance) P-C4' energy: -96.463 flat angles C4'-P-C4' energy: -100.345 flat angles P-C4'-P energy: -63.173 tors. eta vs tors. theta energy: -133.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -1409.317889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1409.317889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1409.317889 (E_RNA) where: Base-Base interactions energy: -982.706 where: short stacking energy: -393.001 Base-Backbone interact. energy: -1.884 local terms energy: -424.728268 where: bonds (distance) C4'-P energy: -60.133 bonds (distance) P-C4' energy: -84.569 flat angles C4'-P-C4' energy: -99.945 flat angles P-C4'-P energy: -69.694 tors. eta vs tors. theta energy: -110.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -1110.817583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.817583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.817583 (E_RNA) where: Base-Base interactions energy: -734.742 where: short stacking energy: -302.724 Base-Backbone interact. energy: -3.143 local terms energy: -372.932883 where: bonds (distance) C4'-P energy: -80.717 bonds (distance) P-C4' energy: -93.931 flat angles C4'-P-C4' energy: -96.878 flat angles P-C4'-P energy: -39.244 tors. eta vs tors. theta energy: -62.163 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: 1 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -1165.398359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.398359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.398359 (E_RNA) where: Base-Base interactions energy: -781.134 where: short stacking energy: -346.254 Base-Backbone interact. energy: -1.714 local terms energy: -382.551237 where: bonds (distance) C4'-P energy: -80.553 bonds (distance) P-C4' energy: -73.775 flat angles C4'-P-C4' energy: -88.105 flat angles P-C4'-P energy: -57.298 tors. eta vs tors. theta energy: -82.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -871.452292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.452292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.452292 (E_RNA) where: Base-Base interactions energy: -557.878 where: short stacking energy: -261.003 Base-Backbone interact. energy: -0.265 local terms energy: -313.309418 where: bonds (distance) C4'-P energy: -87.617 bonds (distance) P-C4' energy: -80.828 flat angles C4'-P-C4' energy: -76.444 flat angles P-C4'-P energy: -36.835 tors. eta vs tors. theta energy: -31.585 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: 10, replica: 10 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -620.402632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.402632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.402632 (E_RNA) where: Base-Base interactions energy: -342.038 where: short stacking energy: -179.847 Base-Backbone interact. energy: 2.698 local terms energy: -281.062373 where: bonds (distance) C4'-P energy: -72.840 bonds (distance) P-C4' energy: -93.052 flat angles C4'-P-C4' energy: -73.822 flat angles P-C4'-P energy: -26.876 tors. eta vs tors. theta energy: -14.473 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: 1, replica: 6 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1895.529656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.529656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.529656 (E_RNA) where: Base-Base interactions energy: -1326.993 where: short stacking energy: -573.032 Base-Backbone interact. energy: -0.812 local terms energy: -567.724863 where: bonds (distance) C4'-P energy: -99.025 bonds (distance) P-C4' energy: -103.059 flat angles C4'-P-C4' energy: -122.070 flat angles P-C4'-P energy: -84.401 tors. eta vs tors. theta energy: -159.170 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: 5 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1796.212337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.212337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.212337 (E_RNA) where: Base-Base interactions energy: -1270.194 where: short stacking energy: -536.676 Base-Backbone interact. energy: -2.925 local terms energy: -523.092847 where: bonds (distance) C4'-P energy: -93.724 bonds (distance) P-C4' energy: -99.560 flat angles C4'-P-C4' energy: -111.292 flat angles P-C4'-P energy: -75.557 tors. eta vs tors. theta energy: -142.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1656.242418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.242418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.242418 (E_RNA) where: Base-Base interactions energy: -1164.879 where: short stacking energy: -513.784 Base-Backbone interact. energy: 4.463 local terms energy: -495.827075 where: bonds (distance) C4'-P energy: -78.656 bonds (distance) P-C4' energy: -96.628 flat angles C4'-P-C4' energy: -97.824 flat angles P-C4'-P energy: -75.601 tors. eta vs tors. theta energy: -147.118 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: 205 Temperature: 1.050000 Total energy: -1603.407430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.407430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.407430 (E_RNA) where: Base-Base interactions energy: -1098.813 where: short stacking energy: -480.207 Base-Backbone interact. energy: -0.174 local terms energy: -504.421262 where: bonds (distance) C4'-P energy: -94.553 bonds (distance) P-C4' energy: -88.823 flat angles C4'-P-C4' energy: -108.335 flat angles P-C4'-P energy: -66.227 tors. eta vs tors. theta energy: -146.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1541.179938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.179938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.179938 (E_RNA) where: Base-Base interactions energy: -1065.909 where: short stacking energy: -480.892 Base-Backbone interact. energy: 3.807 local terms energy: -479.078301 where: bonds (distance) C4'-P energy: -77.084 bonds (distance) P-C4' energy: -93.172 flat angles C4'-P-C4' energy: -109.347 flat angles P-C4'-P energy: -65.596 tors. eta vs tors. theta energy: -133.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -1419.800556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.800556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.800556 (E_RNA) where: Base-Base interactions energy: -1015.593 where: short stacking energy: -390.836 Base-Backbone interact. energy: -1.988 local terms energy: -402.219546 where: bonds (distance) C4'-P energy: -69.387 bonds (distance) P-C4' energy: -84.091 flat angles C4'-P-C4' energy: -87.830 flat angles P-C4'-P energy: -63.962 tors. eta vs tors. theta energy: -96.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -1150.932567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.932567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.932567 (E_RNA) where: Base-Base interactions energy: -755.819 where: short stacking energy: -333.962 Base-Backbone interact. energy: 0.938 local terms energy: -396.052354 where: bonds (distance) C4'-P energy: -79.801 bonds (distance) P-C4' energy: -88.845 flat angles C4'-P-C4' energy: -81.296 flat angles P-C4'-P energy: -60.877 tors. eta vs tors. theta energy: -85.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -1125.195837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.195837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.195837 (E_RNA) where: Base-Base interactions energy: -744.789 where: short stacking energy: -350.485 Base-Backbone interact. energy: -3.624 local terms energy: -376.782860 where: bonds (distance) C4'-P energy: -66.744 bonds (distance) P-C4' energy: -76.260 flat angles C4'-P-C4' energy: -98.950 flat angles P-C4'-P energy: -58.207 tors. eta vs tors. theta energy: -76.622 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: 9, replica: 2 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -849.928681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.928681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.928681 (E_RNA) where: Base-Base interactions energy: -508.766 where: short stacking energy: -225.587 Base-Backbone interact. energy: 4.557 local terms energy: -345.719776 where: bonds (distance) C4'-P energy: -68.134 bonds (distance) P-C4' energy: -83.128 flat angles C4'-P-C4' energy: -77.357 flat angles P-C4'-P energy: -65.231 tors. eta vs tors. theta energy: -51.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -605.457037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.457037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.457037 (E_RNA) where: Base-Base interactions energy: -384.736 where: short stacking energy: -200.554 Base-Backbone interact. energy: 0.677 local terms energy: -221.398389 where: bonds (distance) C4'-P energy: -56.555 bonds (distance) P-C4' energy: -71.857 flat angles C4'-P-C4' energy: -55.273 flat angles P-C4'-P energy: -37.517 tors. eta vs tors. theta energy: -0.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1859.799691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.799691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.799691 (E_RNA) where: Base-Base interactions energy: -1304.861 where: short stacking energy: -562.251 Base-Backbone interact. energy: 0.567 local terms energy: -555.505646 where: bonds (distance) C4'-P energy: -102.525 bonds (distance) P-C4' energy: -102.812 flat angles C4'-P-C4' energy: -118.584 flat angles P-C4'-P energy: -74.940 tors. eta vs tors. theta energy: -156.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1783.350018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.350018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.350018 (E_RNA) where: Base-Base interactions energy: -1246.974 where: short stacking energy: -541.169 Base-Backbone interact. energy: -1.431 local terms energy: -534.944498 where: bonds (distance) C4'-P energy: -97.472 bonds (distance) P-C4' energy: -102.342 flat angles C4'-P-C4' energy: -108.535 flat angles P-C4'-P energy: -74.873 tors. eta vs tors. theta energy: -151.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1662.001662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.001662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.001662 (E_RNA) where: Base-Base interactions energy: -1152.395 where: short stacking energy: -479.880 Base-Backbone interact. energy: -3.645 local terms energy: -505.962111 where: bonds (distance) C4'-P energy: -91.286 bonds (distance) P-C4' energy: -100.378 flat angles C4'-P-C4' energy: -113.096 flat angles P-C4'-P energy: -63.257 tors. eta vs tors. theta energy: -137.946 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: 4, replica: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1632.089687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.089687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.089687 (E_RNA) where: Base-Base interactions energy: -1141.272 where: short stacking energy: -483.980 Base-Backbone interact. energy: -1.996 local terms energy: -488.821366 where: bonds (distance) C4'-P energy: -80.908 bonds (distance) P-C4' energy: -86.501 flat angles C4'-P-C4' energy: -110.413 flat angles P-C4'-P energy: -73.929 tors. eta vs tors. theta energy: -137.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -1540.213725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.213725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.213725 (E_RNA) where: Base-Base interactions energy: -1051.591 where: short stacking energy: -463.915 Base-Backbone interact. energy: 1.980 local terms energy: -490.602646 where: bonds (distance) C4'-P energy: -93.864 bonds (distance) P-C4' energy: -99.702 flat angles C4'-P-C4' energy: -95.622 flat angles P-C4'-P energy: -75.763 tors. eta vs tors. theta energy: -125.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -1411.824869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.824869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.824869 (E_RNA) where: Base-Base interactions energy: -965.702 where: short stacking energy: -410.477 Base-Backbone interact. energy: -0.875 local terms energy: -445.247418 where: bonds (distance) C4'-P energy: -79.500 bonds (distance) P-C4' energy: -87.840 flat angles C4'-P-C4' energy: -101.600 flat angles P-C4'-P energy: -64.567 tors. eta vs tors. theta energy: -111.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -1183.332914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.332914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.332914 (E_RNA) where: Base-Base interactions energy: -769.458 where: short stacking energy: -375.701 Base-Backbone interact. energy: -2.105 local terms energy: -411.769904 where: bonds (distance) C4'-P energy: -69.671 bonds (distance) P-C4' energy: -93.814 flat angles C4'-P-C4' energy: -95.844 flat angles P-C4'-P energy: -63.672 tors. eta vs tors. theta energy: -88.769 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: 206 Temperature: 1.250000 Total energy: -1104.928886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.928886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.928886 (E_RNA) where: Base-Base interactions energy: -747.872 where: short stacking energy: -324.220 Base-Backbone interact. energy: 0.959 local terms energy: -358.015516 where: bonds (distance) C4'-P energy: -66.558 bonds (distance) P-C4' energy: -86.890 flat angles C4'-P-C4' energy: -86.991 flat angles P-C4'-P energy: -52.851 tors. eta vs tors. theta energy: -64.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -808.186980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.186980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.186980 (E_RNA) where: Base-Base interactions energy: -486.668 where: short stacking energy: -218.055 Base-Backbone interact. energy: 0.238 local terms energy: -321.756613 where: bonds (distance) C4'-P energy: -93.475 bonds (distance) P-C4' energy: -80.490 flat angles C4'-P-C4' energy: -71.706 flat angles P-C4'-P energy: -47.579 tors. eta vs tors. theta energy: -28.506 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: 10, replica: 10 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -638.804880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.804880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.804880 (E_RNA) where: Base-Base interactions energy: -381.487 where: short stacking energy: -190.939 Base-Backbone interact. energy: -2.097 local terms energy: -255.220443 where: bonds (distance) C4'-P energy: -66.427 bonds (distance) P-C4' energy: -86.087 flat angles C4'-P-C4' energy: -64.663 flat angles P-C4'-P energy: -35.316 tors. eta vs tors. theta energy: -2.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1854.494080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.494080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.494080 (E_RNA) where: Base-Base interactions energy: -1329.836 where: short stacking energy: -567.575 Base-Backbone interact. energy: -2.297 local terms energy: -522.361016 where: bonds (distance) C4'-P energy: -86.911 bonds (distance) P-C4' energy: -88.189 flat angles C4'-P-C4' energy: -112.903 flat angles P-C4'-P energy: -71.006 tors. eta vs tors. theta energy: -163.353 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: 5 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1797.801324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.801324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.801324 (E_RNA) where: Base-Base interactions energy: -1267.269 where: short stacking energy: -543.735 Base-Backbone interact. energy: -2.688 local terms energy: -527.844551 where: bonds (distance) C4'-P energy: -96.611 bonds (distance) P-C4' energy: -98.025 flat angles C4'-P-C4' energy: -110.933 flat angles P-C4'-P energy: -72.051 tors. eta vs tors. theta energy: -150.226 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: 4 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1622.168730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.168730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.168730 (E_RNA) where: Base-Base interactions energy: -1136.518 where: short stacking energy: -486.902 Base-Backbone interact. energy: -1.419 local terms energy: -484.231569 where: bonds (distance) C4'-P energy: -79.659 bonds (distance) P-C4' energy: -91.469 flat angles C4'-P-C4' energy: -107.486 flat angles P-C4'-P energy: -63.350 tors. eta vs tors. theta energy: -142.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -1635.923457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.923457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.923457 (E_RNA) where: Base-Base interactions energy: -1121.314 where: short stacking energy: -469.834 Base-Backbone interact. energy: -1.739 local terms energy: -512.869885 where: bonds (distance) C4'-P energy: -94.160 bonds (distance) P-C4' energy: -91.120 flat angles C4'-P-C4' energy: -117.587 flat angles P-C4'-P energy: -77.183 tors. eta vs tors. theta energy: -132.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -1538.185445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.185445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.185445 (E_RNA) where: Base-Base interactions energy: -1075.546 where: short stacking energy: -464.740 Base-Backbone interact. energy: 0.076 local terms energy: -462.716215 where: bonds (distance) C4'-P energy: -78.114 bonds (distance) P-C4' energy: -99.951 flat angles C4'-P-C4' energy: -94.204 flat angles P-C4'-P energy: -72.432 tors. eta vs tors. theta energy: -118.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -1420.039039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.039039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.039039 (E_RNA) where: Base-Base interactions energy: -989.657 where: short stacking energy: -430.322 Base-Backbone interact. energy: -2.454 local terms energy: -427.928087 where: bonds (distance) C4'-P energy: -85.280 bonds (distance) P-C4' energy: -85.929 flat angles C4'-P-C4' energy: -88.710 flat angles P-C4'-P energy: -56.506 tors. eta vs tors. theta energy: -111.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -1172.193270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.193270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.193270 (E_RNA) where: Base-Base interactions energy: -780.041 where: short stacking energy: -336.953 Base-Backbone interact. energy: -1.106 local terms energy: -391.045659 where: bonds (distance) C4'-P energy: -73.909 bonds (distance) P-C4' energy: -85.894 flat angles C4'-P-C4' energy: -84.730 flat angles P-C4'-P energy: -55.061 tors. eta vs tors. theta energy: -91.451 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: 8 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -1137.788425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.788425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.788425 (E_RNA) where: Base-Base interactions energy: -752.697 where: short stacking energy: -362.092 Base-Backbone interact. energy: -0.131 local terms energy: -384.960368 where: bonds (distance) C4'-P energy: -74.626 bonds (distance) P-C4' energy: -89.457 flat angles C4'-P-C4' energy: -84.214 flat angles P-C4'-P energy: -55.785 tors. eta vs tors. theta energy: -80.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -834.304934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.304934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.304934 (E_RNA) where: Base-Base interactions energy: -506.776 where: short stacking energy: -243.029 Base-Backbone interact. energy: -4.453 local terms energy: -323.076047 where: bonds (distance) C4'-P energy: -68.787 bonds (distance) P-C4' energy: -99.183 flat angles C4'-P-C4' energy: -85.311 flat angles P-C4'-P energy: -35.842 tors. eta vs tors. theta energy: -33.953 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: 207 Temperature: 1.350000 Total energy: -715.354418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.354418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.354418 (E_RNA) where: Base-Base interactions energy: -423.889 where: short stacking energy: -226.656 Base-Backbone interact. energy: -1.124 local terms energy: -290.341602 where: bonds (distance) C4'-P energy: -72.290 bonds (distance) P-C4' energy: -72.877 flat angles C4'-P-C4' energy: -82.276 flat angles P-C4'-P energy: -35.866 tors. eta vs tors. theta energy: -27.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1862.403501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.403501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.403501 (E_RNA) where: Base-Base interactions energy: -1302.369 where: short stacking energy: -559.814 Base-Backbone interact. energy: -1.903 local terms energy: -558.131870 where: bonds (distance) C4'-P energy: -108.672 bonds (distance) P-C4' energy: -92.775 flat angles C4'-P-C4' energy: -114.762 flat angles P-C4'-P energy: -76.432 tors. eta vs tors. theta energy: -165.492 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: 2, replica: 5 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1749.340242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.340242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.340242 (E_RNA) where: Base-Base interactions energy: -1238.896 where: short stacking energy: -536.443 Base-Backbone interact. energy: -3.713 local terms energy: -506.731695 where: bonds (distance) C4'-P energy: -88.441 bonds (distance) P-C4' energy: -88.342 flat angles C4'-P-C4' energy: -104.900 flat angles P-C4'-P energy: -81.547 tors. eta vs tors. theta energy: -143.502 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: 3, replica: 3 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1660.590185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.590185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.590185 (E_RNA) where: Base-Base interactions energy: -1148.286 where: short stacking energy: -497.451 Base-Backbone interact. energy: -3.390 local terms energy: -508.914566 where: bonds (distance) C4'-P energy: -95.051 bonds (distance) P-C4' energy: -96.590 flat angles C4'-P-C4' energy: -108.903 flat angles P-C4'-P energy: -67.192 tors. eta vs tors. theta energy: -141.178 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: 4 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1574.754421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.754421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.754421 (E_RNA) where: Base-Base interactions energy: -1124.533 where: short stacking energy: -458.839 Base-Backbone interact. energy: 1.782 local terms energy: -452.003393 where: bonds (distance) C4'-P energy: -76.961 bonds (distance) P-C4' energy: -96.509 flat angles C4'-P-C4' energy: -95.490 flat angles P-C4'-P energy: -69.410 tors. eta vs tors. theta energy: -113.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -1526.205244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.205244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.205244 (E_RNA) where: Base-Base interactions energy: -1090.179 where: short stacking energy: -471.156 Base-Backbone interact. energy: -2.145 local terms energy: -433.880772 where: bonds (distance) C4'-P energy: -61.957 bonds (distance) P-C4' energy: -88.488 flat angles C4'-P-C4' energy: -94.349 flat angles P-C4'-P energy: -52.787 tors. eta vs tors. theta energy: -136.300 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: 7 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -1438.188008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.188008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.188008 (E_RNA) where: Base-Base interactions energy: -1001.748 where: short stacking energy: -414.540 Base-Backbone interact. energy: 1.121 local terms energy: -437.561086 where: bonds (distance) C4'-P energy: -86.745 bonds (distance) P-C4' energy: -100.548 flat angles C4'-P-C4' energy: -87.012 flat angles P-C4'-P energy: -55.582 tors. eta vs tors. theta energy: -107.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -1106.947625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.947625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.947625 (E_RNA) where: Base-Base interactions energy: -720.144 where: short stacking energy: -315.590 Base-Backbone interact. energy: -2.052 local terms energy: -384.751315 where: bonds (distance) C4'-P energy: -87.571 bonds (distance) P-C4' energy: -83.976 flat angles C4'-P-C4' energy: -94.568 flat angles P-C4'-P energy: -62.442 tors. eta vs tors. theta energy: -56.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -1162.314379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.314379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.314379 (E_RNA) where: Base-Base interactions energy: -755.225 where: short stacking energy: -355.544 Base-Backbone interact. energy: 1.853 local terms energy: -408.942726 where: bonds (distance) C4'-P energy: -72.134 bonds (distance) P-C4' energy: -97.733 flat angles C4'-P-C4' energy: -98.579 flat angles P-C4'-P energy: -50.242 tors. eta vs tors. theta energy: -90.254 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: 10 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -828.429549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.429549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.429549 (E_RNA) where: Base-Base interactions energy: -538.923 where: short stacking energy: -249.679 Base-Backbone interact. energy: 2.624 local terms energy: -292.130529 where: bonds (distance) C4'-P energy: -67.382 bonds (distance) P-C4' energy: -80.122 flat angles C4'-P-C4' energy: -85.968 flat angles P-C4'-P energy: -37.625 tors. eta vs tors. theta energy: -21.033 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: 10, replica: 2 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -842.397030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.397030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.397030 (E_RNA) where: Base-Base interactions energy: -555.752 where: short stacking energy: -225.165 Base-Backbone interact. energy: 4.061 local terms energy: -290.705721 where: bonds (distance) C4'-P energy: -74.156 bonds (distance) P-C4' energy: -100.829 flat angles C4'-P-C4' energy: -55.292 flat angles P-C4'-P energy: -38.470 tors. eta vs tors. theta energy: -21.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1874.061431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.061431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.061431 (E_RNA) where: Base-Base interactions energy: -1323.034 where: short stacking energy: -561.106 Base-Backbone interact. energy: -2.913 local terms energy: -548.115077 where: bonds (distance) C4'-P energy: -97.810 bonds (distance) P-C4' energy: -105.751 flat angles C4'-P-C4' energy: -105.854 flat angles P-C4'-P energy: -81.596 tors. eta vs tors. theta energy: -157.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1747.839145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.839145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.839145 (E_RNA) where: Base-Base interactions energy: -1240.377 where: short stacking energy: -511.457 Base-Backbone interact. energy: -1.315 local terms energy: -506.147376 where: bonds (distance) C4'-P energy: -85.059 bonds (distance) P-C4' energy: -97.461 flat angles C4'-P-C4' energy: -106.050 flat angles P-C4'-P energy: -73.381 tors. eta vs tors. theta energy: -144.196 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: 3 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1652.942130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.942130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.942130 (E_RNA) where: Base-Base interactions energy: -1144.349 where: short stacking energy: -478.477 Base-Backbone interact. energy: -5.211 local terms energy: -503.382196 where: bonds (distance) C4'-P energy: -93.072 bonds (distance) P-C4' energy: -96.896 flat angles C4'-P-C4' energy: -102.027 flat angles P-C4'-P energy: -69.493 tors. eta vs tors. theta energy: -141.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1604.648124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.648124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.648124 (E_RNA) where: Base-Base interactions energy: -1115.047 where: short stacking energy: -453.161 Base-Backbone interact. energy: -2.876 local terms energy: -486.725514 where: bonds (distance) C4'-P energy: -93.131 bonds (distance) P-C4' energy: -104.991 flat angles C4'-P-C4' energy: -101.184 flat angles P-C4'-P energy: -64.401 tors. eta vs tors. theta energy: -123.018 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: 209 Temperature: 1.100000 Total energy: -1528.149896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.149896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.149896 (E_RNA) where: Base-Base interactions energy: -1041.941 where: short stacking energy: -439.094 Base-Backbone interact. energy: -1.386 local terms energy: -484.822810 where: bonds (distance) C4'-P energy: -87.426 bonds (distance) P-C4' energy: -91.962 flat angles C4'-P-C4' energy: -110.096 flat angles P-C4'-P energy: -67.823 tors. eta vs tors. theta energy: -127.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -1476.970646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1476.970646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1476.970646 (E_RNA) where: Base-Base interactions energy: -1044.333 where: short stacking energy: -431.513 Base-Backbone interact. energy: -2.881 local terms energy: -429.756247 where: bonds (distance) C4'-P energy: -74.000 bonds (distance) P-C4' energy: -85.802 flat angles C4'-P-C4' energy: -94.316 flat angles P-C4'-P energy: -65.312 tors. eta vs tors. theta energy: -110.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -1165.861450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.861450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.861450 (E_RNA) where: Base-Base interactions energy: -775.890 where: short stacking energy: -352.944 Base-Backbone interact. energy: 0.307 local terms energy: -390.278364 where: bonds (distance) C4'-P energy: -78.960 bonds (distance) P-C4' energy: -68.830 flat angles C4'-P-C4' energy: -95.912 flat angles P-C4'-P energy: -59.668 tors. eta vs tors. theta energy: -86.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -1158.365533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.365533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.365533 (E_RNA) where: Base-Base interactions energy: -790.545 where: short stacking energy: -343.948 Base-Backbone interact. energy: -3.318 local terms energy: -364.503488 where: bonds (distance) C4'-P energy: -62.541 bonds (distance) P-C4' energy: -96.690 flat angles C4'-P-C4' energy: -81.906 flat angles P-C4'-P energy: -48.118 tors. eta vs tors. theta energy: -75.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -877.804483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.804483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.804483 (E_RNA) where: Base-Base interactions energy: -545.655 where: short stacking energy: -262.603 Base-Backbone interact. energy: -0.832 local terms energy: -331.317226 where: bonds (distance) C4'-P energy: -71.119 bonds (distance) P-C4' energy: -90.160 flat angles C4'-P-C4' energy: -72.601 flat angles P-C4'-P energy: -52.056 tors. eta vs tors. theta energy: -45.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -838.661379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.661379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.661379 (E_RNA) where: Base-Base interactions energy: -548.669 where: short stacking energy: -270.111 Base-Backbone interact. energy: 1.282 local terms energy: -291.274157 where: bonds (distance) C4'-P energy: -61.855 bonds (distance) P-C4' energy: -83.853 flat angles C4'-P-C4' energy: -77.190 flat angles P-C4'-P energy: -41.562 tors. eta vs tors. theta energy: -26.814 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: 1, replica: 6 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1856.584212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.584212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.584212 (E_RNA) where: Base-Base interactions energy: -1309.741 where: short stacking energy: -558.726 Base-Backbone interact. energy: -0.914 local terms energy: -545.928448 where: bonds (distance) C4'-P energy: -96.950 bonds (distance) P-C4' energy: -95.599 flat angles C4'-P-C4' energy: -112.805 flat angles P-C4'-P energy: -86.670 tors. eta vs tors. theta energy: -153.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1761.186119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.186119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.186119 (E_RNA) where: Base-Base interactions energy: -1232.093 where: short stacking energy: -519.846 Base-Backbone interact. energy: -5.118 local terms energy: -523.975892 where: bonds (distance) C4'-P energy: -83.508 bonds (distance) P-C4' energy: -99.300 flat angles C4'-P-C4' energy: -118.643 flat angles P-C4'-P energy: -69.060 tors. eta vs tors. theta energy: -153.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1671.767874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.767874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.767874 (E_RNA) where: Base-Base interactions energy: -1163.174 where: short stacking energy: -508.519 Base-Backbone interact. energy: -0.503 local terms energy: -508.090655 where: bonds (distance) C4'-P energy: -95.102 bonds (distance) P-C4' energy: -97.242 flat angles C4'-P-C4' energy: -108.091 flat angles P-C4'-P energy: -63.898 tors. eta vs tors. theta energy: -143.758 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: 4 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1583.111469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.111469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.111469 (E_RNA) where: Base-Base interactions energy: -1099.173 where: short stacking energy: -475.388 Base-Backbone interact. energy: -0.208 local terms energy: -483.731104 where: bonds (distance) C4'-P energy: -97.824 bonds (distance) P-C4' energy: -71.387 flat angles C4'-P-C4' energy: -106.988 flat angles P-C4'-P energy: -74.256 tors. eta vs tors. theta energy: -133.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -1520.852056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.852056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.852056 (E_RNA) where: Base-Base interactions energy: -1047.507 where: short stacking energy: -463.247 Base-Backbone interact. energy: -1.639 local terms energy: -471.705781 where: bonds (distance) C4'-P energy: -82.158 bonds (distance) P-C4' energy: -90.734 flat angles C4'-P-C4' energy: -101.639 flat angles P-C4'-P energy: -69.527 tors. eta vs tors. theta energy: -127.648 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: 6, replica: 7 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -1465.803402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.803402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.803402 (E_RNA) where: Base-Base interactions energy: -996.033 where: short stacking energy: -438.818 Base-Backbone interact. energy: 0.206 local terms energy: -469.976202 where: bonds (distance) C4'-P energy: -93.340 bonds (distance) P-C4' energy: -96.340 flat angles C4'-P-C4' energy: -93.992 flat angles P-C4'-P energy: -69.715 tors. eta vs tors. theta energy: -116.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -1236.319141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.319141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.319141 (E_RNA) where: Base-Base interactions energy: -791.881 where: short stacking energy: -373.661 Base-Backbone interact. energy: -1.798 local terms energy: -442.640865 where: bonds (distance) C4'-P energy: -94.444 bonds (distance) P-C4' energy: -94.665 flat angles C4'-P-C4' energy: -93.333 flat angles P-C4'-P energy: -66.150 tors. eta vs tors. theta energy: -94.049 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: 8 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -1170.579966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.579966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.579966 (E_RNA) where: Base-Base interactions energy: -792.074 where: short stacking energy: -321.392 Base-Backbone interact. energy: -0.721 local terms energy: -377.785611 where: bonds (distance) C4'-P energy: -75.546 bonds (distance) P-C4' energy: -89.505 flat angles C4'-P-C4' energy: -81.141 flat angles P-C4'-P energy: -59.092 tors. eta vs tors. theta energy: -72.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -857.787614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.787614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.787614 (E_RNA) where: Base-Base interactions energy: -543.884 where: short stacking energy: -250.633 Base-Backbone interact. energy: 1.125 local terms energy: -315.028591 where: bonds (distance) C4'-P energy: -89.217 bonds (distance) P-C4' energy: -77.572 flat angles C4'-P-C4' energy: -84.241 flat angles P-C4'-P energy: -31.193 tors. eta vs tors. theta energy: -32.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -825.339261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.339261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.339261 (E_RNA) where: Base-Base interactions energy: -525.586 where: short stacking energy: -221.261 Base-Backbone interact. energy: 6.448 local terms energy: -306.201267 where: bonds (distance) C4'-P energy: -69.686 bonds (distance) P-C4' energy: -94.330 flat angles C4'-P-C4' energy: -77.728 flat angles P-C4'-P energy: -50.316 tors. eta vs tors. theta energy: -14.141 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: 6 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1853.001247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.001247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.001247 (E_RNA) where: Base-Base interactions energy: -1315.101 where: short stacking energy: -541.307 Base-Backbone interact. energy: 1.234 local terms energy: -539.134182 where: bonds (distance) C4'-P energy: -96.471 bonds (distance) P-C4' energy: -104.202 flat angles C4'-P-C4' energy: -107.740 flat angles P-C4'-P energy: -79.986 tors. eta vs tors. theta energy: -150.735 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: 211 Temperature: 0.950000 Total energy: -1763.760754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.760754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.760754 (E_RNA) where: Base-Base interactions energy: -1240.265 where: short stacking energy: -550.168 Base-Backbone interact. energy: -0.628 local terms energy: -522.867435 where: bonds (distance) C4'-P energy: -101.714 bonds (distance) P-C4' energy: -92.908 flat angles C4'-P-C4' energy: -108.316 flat angles P-C4'-P energy: -66.266 tors. eta vs tors. theta energy: -153.663 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: 3 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1641.706487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.706487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.706487 (E_RNA) where: Base-Base interactions energy: -1118.986 where: short stacking energy: -477.738 Base-Backbone interact. energy: -1.275 local terms energy: -521.444741 where: bonds (distance) C4'-P energy: -95.708 bonds (distance) P-C4' energy: -95.715 flat angles C4'-P-C4' energy: -105.163 flat angles P-C4'-P energy: -76.023 tors. eta vs tors. theta energy: -148.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1540.275289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.275289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.275289 (E_RNA) where: Base-Base interactions energy: -1055.952 where: short stacking energy: -467.244 Base-Backbone interact. energy: 0.881 local terms energy: -485.204150 where: bonds (distance) C4'-P energy: -90.439 bonds (distance) P-C4' energy: -94.323 flat angles C4'-P-C4' energy: -101.537 flat angles P-C4'-P energy: -75.464 tors. eta vs tors. theta energy: -123.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -1530.241558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.241558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.241558 (E_RNA) where: Base-Base interactions energy: -1080.561 where: short stacking energy: -451.433 Base-Backbone interact. energy: -1.385 local terms energy: -448.295899 where: bonds (distance) C4'-P energy: -66.614 bonds (distance) P-C4' energy: -84.614 flat angles C4'-P-C4' energy: -100.978 flat angles P-C4'-P energy: -69.628 tors. eta vs tors. theta energy: -126.461 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: 7 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -1420.713891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.713891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.713891 (E_RNA) where: Base-Base interactions energy: -991.443 where: short stacking energy: -424.719 Base-Backbone interact. energy: -2.762 local terms energy: -426.508631 where: bonds (distance) C4'-P energy: -84.338 bonds (distance) P-C4' energy: -73.800 flat angles C4'-P-C4' energy: -92.343 flat angles P-C4'-P energy: -59.633 tors. eta vs tors. theta energy: -116.395 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: 7, replica: 1 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -1203.479889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.479889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.479889 (E_RNA) where: Base-Base interactions energy: -803.283 where: short stacking energy: -354.001 Base-Backbone interact. energy: -1.268 local terms energy: -398.928307 where: bonds (distance) C4'-P energy: -70.756 bonds (distance) P-C4' energy: -82.951 flat angles C4'-P-C4' energy: -92.171 flat angles P-C4'-P energy: -64.583 tors. eta vs tors. theta energy: -88.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -1175.930093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.930093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.930093 (E_RNA) where: Base-Base interactions energy: -793.156 where: short stacking energy: -320.388 Base-Backbone interact. energy: 1.310 local terms energy: -384.083641 where: bonds (distance) C4'-P energy: -70.614 bonds (distance) P-C4' energy: -89.175 flat angles C4'-P-C4' energy: -88.225 flat angles P-C4'-P energy: -65.170 tors. eta vs tors. theta energy: -70.899 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: 9, replica: 10 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -865.258674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.258674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.258674 (E_RNA) where: Base-Base interactions energy: -539.884 where: short stacking energy: -246.885 Base-Backbone interact. energy: 0.250 local terms energy: -325.624898 where: bonds (distance) C4'-P energy: -82.659 bonds (distance) P-C4' energy: -73.813 flat angles C4'-P-C4' energy: -80.068 flat angles P-C4'-P energy: -57.035 tors. eta vs tors. theta energy: -32.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -891.785004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.785004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.785004 (E_RNA) where: Base-Base interactions energy: -566.766 where: short stacking energy: -259.100 Base-Backbone interact. energy: 0.956 local terms energy: -325.974698 where: bonds (distance) C4'-P energy: -64.019 bonds (distance) P-C4' energy: -83.211 flat angles C4'-P-C4' energy: -86.117 flat angles P-C4'-P energy: -49.933 tors. eta vs tors. theta energy: -42.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1875.958093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.958093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.958093 (E_RNA) where: Base-Base interactions energy: -1329.262 where: short stacking energy: -549.244 Base-Backbone interact. energy: -0.687 local terms energy: -546.009391 where: bonds (distance) C4'-P energy: -91.003 bonds (distance) P-C4' energy: -103.702 flat angles C4'-P-C4' energy: -121.665 flat angles P-C4'-P energy: -79.819 tors. eta vs tors. theta energy: -149.821 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: 5 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1771.852295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.852295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.852295 (E_RNA) where: Base-Base interactions energy: -1255.816 where: short stacking energy: -545.626 Base-Backbone interact. energy: -3.679 local terms energy: -512.357416 where: bonds (distance) C4'-P energy: -92.790 bonds (distance) P-C4' energy: -100.021 flat angles C4'-P-C4' energy: -99.001 flat angles P-C4'-P energy: -69.754 tors. eta vs tors. theta energy: -150.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1669.741572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.741572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.741572 (E_RNA) where: Base-Base interactions energy: -1155.146 where: short stacking energy: -520.838 Base-Backbone interact. energy: -1.161 local terms energy: -513.435216 where: bonds (distance) C4'-P energy: -86.308 bonds (distance) P-C4' energy: -98.443 flat angles C4'-P-C4' energy: -107.995 flat angles P-C4'-P energy: -72.015 tors. eta vs tors. theta energy: -148.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1542.668337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.668337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.668337 (E_RNA) where: Base-Base interactions energy: -1062.741 where: short stacking energy: -457.767 Base-Backbone interact. energy: -3.121 local terms energy: -476.805438 where: bonds (distance) C4'-P energy: -93.413 bonds (distance) P-C4' energy: -87.311 flat angles C4'-P-C4' energy: -114.046 flat angles P-C4'-P energy: -62.259 tors. eta vs tors. theta energy: -119.778 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: 5, replica: 4 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -1537.369100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.369100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.369100 (E_RNA) where: Base-Base interactions energy: -1047.386 where: short stacking energy: -440.251 Base-Backbone interact. energy: -0.427 local terms energy: -489.556124 where: bonds (distance) C4'-P energy: -92.513 bonds (distance) P-C4' energy: -91.530 flat angles C4'-P-C4' energy: -104.197 flat angles P-C4'-P energy: -63.404 tors. eta vs tors. theta energy: -137.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -1438.918941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.918941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.918941 (E_RNA) where: Base-Base interactions energy: -994.171 where: short stacking energy: -411.051 Base-Backbone interact. energy: 4.965 local terms energy: -449.712979 where: bonds (distance) C4'-P energy: -87.707 bonds (distance) P-C4' energy: -85.402 flat angles C4'-P-C4' energy: -101.264 flat angles P-C4'-P energy: -61.128 tors. eta vs tors. theta energy: -114.212 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: 1 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -1271.599663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.599663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.599663 (E_RNA) where: Base-Base interactions energy: -848.727 where: short stacking energy: -384.678 Base-Backbone interact. energy: -0.842 local terms energy: -422.030197 where: bonds (distance) C4'-P energy: -63.089 bonds (distance) P-C4' energy: -84.479 flat angles C4'-P-C4' energy: -102.347 flat angles P-C4'-P energy: -71.307 tors. eta vs tors. theta energy: -100.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -1201.583373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.583373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.583373 (E_RNA) where: Base-Base interactions energy: -804.303 where: short stacking energy: -319.116 Base-Backbone interact. energy: 1.929 local terms energy: -399.209803 where: bonds (distance) C4'-P energy: -87.858 bonds (distance) P-C4' energy: -81.241 flat angles C4'-P-C4' energy: -76.179 flat angles P-C4'-P energy: -77.632 tors. eta vs tors. theta energy: -76.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -890.785415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.785415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.785415 (E_RNA) where: Base-Base interactions energy: -573.617 where: short stacking energy: -259.145 Base-Backbone interact. energy: -4.690 local terms energy: -312.478889 where: bonds (distance) C4'-P energy: -69.580 bonds (distance) P-C4' energy: -73.921 flat angles C4'-P-C4' energy: -84.127 flat angles P-C4'-P energy: -57.669 tors. eta vs tors. theta energy: -27.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -817.411130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.411130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.411130 (E_RNA) where: Base-Base interactions energy: -487.711 where: short stacking energy: -231.453 Base-Backbone interact. energy: -0.076 local terms energy: -329.623942 where: bonds (distance) C4'-P energy: -80.473 bonds (distance) P-C4' energy: -95.200 flat angles C4'-P-C4' energy: -81.954 flat angles P-C4'-P energy: -39.949 tors. eta vs tors. theta energy: -32.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1846.390064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.390064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.390064 (E_RNA) where: Base-Base interactions energy: -1312.576 where: short stacking energy: -548.261 Base-Backbone interact. energy: -3.574 local terms energy: -530.239766 where: bonds (distance) C4'-P energy: -101.771 bonds (distance) P-C4' energy: -90.100 flat angles C4'-P-C4' energy: -108.791 flat angles P-C4'-P energy: -78.678 tors. eta vs tors. theta energy: -150.901 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: 213 Temperature: 0.950000 Total energy: -1770.094614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.094614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.094614 (E_RNA) where: Base-Base interactions energy: -1248.854 where: short stacking energy: -534.022 Base-Backbone interact. energy: -2.909 local terms energy: -518.331976 where: bonds (distance) C4'-P energy: -81.670 bonds (distance) P-C4' energy: -102.268 flat angles C4'-P-C4' energy: -112.501 flat angles P-C4'-P energy: -73.503 tors. eta vs tors. theta energy: -148.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1644.537523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.537523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.537523 (E_RNA) where: Base-Base interactions energy: -1160.555 where: short stacking energy: -499.063 Base-Backbone interact. energy: -2.836 local terms energy: -481.146970 where: bonds (distance) C4'-P energy: -69.865 bonds (distance) P-C4' energy: -98.891 flat angles C4'-P-C4' energy: -107.375 flat angles P-C4'-P energy: -66.395 tors. eta vs tors. theta energy: -138.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1569.603656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.603656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.603656 (E_RNA) where: Base-Base interactions energy: -1100.228 where: short stacking energy: -457.770 Base-Backbone interact. energy: -2.163 local terms energy: -467.212894 where: bonds (distance) C4'-P energy: -84.261 bonds (distance) P-C4' energy: -90.009 flat angles C4'-P-C4' energy: -103.257 flat angles P-C4'-P energy: -58.273 tors. eta vs tors. theta energy: -131.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -1485.737433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.737433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.737433 (E_RNA) where: Base-Base interactions energy: -1016.191 where: short stacking energy: -449.366 Base-Backbone interact. energy: -0.964 local terms energy: -468.581918 where: bonds (distance) C4'-P energy: -73.135 bonds (distance) P-C4' energy: -87.932 flat angles C4'-P-C4' energy: -109.672 flat angles P-C4'-P energy: -81.441 tors. eta vs tors. theta energy: -116.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -1468.856674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1468.856674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1468.856674 (E_RNA) where: Base-Base interactions energy: -1044.591 where: short stacking energy: -452.705 Base-Backbone interact. energy: -4.348 local terms energy: -419.918371 where: bonds (distance) C4'-P energy: -76.510 bonds (distance) P-C4' energy: -85.897 flat angles C4'-P-C4' energy: -86.327 flat angles P-C4'-P energy: -57.420 tors. eta vs tors. theta energy: -113.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -1246.257017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1246.257017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1246.257017 (E_RNA) where: Base-Base interactions energy: -856.854 where: short stacking energy: -363.833 Base-Backbone interact. energy: -0.482 local terms energy: -388.921384 where: bonds (distance) C4'-P energy: -85.100 bonds (distance) P-C4' energy: -78.518 flat angles C4'-P-C4' energy: -93.265 flat angles P-C4'-P energy: -47.273 tors. eta vs tors. theta energy: -84.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -1156.520118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.520118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.520118 (E_RNA) where: Base-Base interactions energy: -792.354 where: short stacking energy: -335.917 Base-Backbone interact. energy: -3.337 local terms energy: -360.829469 where: bonds (distance) C4'-P energy: -65.595 bonds (distance) P-C4' energy: -68.203 flat angles C4'-P-C4' energy: -85.633 flat angles P-C4'-P energy: -49.369 tors. eta vs tors. theta energy: -92.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -915.889060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.889060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.889060 (E_RNA) where: Base-Base interactions energy: -591.059 where: short stacking energy: -261.997 Base-Backbone interact. energy: -2.869 local terms energy: -321.960986 where: bonds (distance) C4'-P energy: -67.075 bonds (distance) P-C4' energy: -88.559 flat angles C4'-P-C4' energy: -78.958 flat angles P-C4'-P energy: -57.682 tors. eta vs tors. theta energy: -29.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -904.044236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.044236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.044236 (E_RNA) where: Base-Base interactions energy: -603.545 where: short stacking energy: -269.160 Base-Backbone interact. energy: 5.953 local terms energy: -306.451757 where: bonds (distance) C4'-P energy: -60.068 bonds (distance) P-C4' energy: -75.070 flat angles C4'-P-C4' energy: -82.023 flat angles P-C4'-P energy: -46.745 tors. eta vs tors. theta energy: -42.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1859.561542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.561542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.561542 (E_RNA) where: Base-Base interactions energy: -1324.472 where: short stacking energy: -552.210 Base-Backbone interact. energy: 4.903 local terms energy: -539.992562 where: bonds (distance) C4'-P energy: -101.039 bonds (distance) P-C4' energy: -98.045 flat angles C4'-P-C4' energy: -109.433 flat angles P-C4'-P energy: -82.982 tors. eta vs tors. theta energy: -148.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1759.234642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.234642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.234642 (E_RNA) where: Base-Base interactions energy: -1253.652 where: short stacking energy: -529.540 Base-Backbone interact. energy: 4.631 local terms energy: -510.214090 where: bonds (distance) C4'-P energy: -93.373 bonds (distance) P-C4' energy: -94.170 flat angles C4'-P-C4' energy: -107.293 flat angles P-C4'-P energy: -72.727 tors. eta vs tors. theta energy: -142.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1653.333212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1653.333212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1653.333212 (E_RNA) where: Base-Base interactions energy: -1149.122 where: short stacking energy: -506.589 Base-Backbone interact. energy: -1.459 local terms energy: -502.751818 where: bonds (distance) C4'-P energy: -85.021 bonds (distance) P-C4' energy: -96.835 flat angles C4'-P-C4' energy: -109.818 flat angles P-C4'-P energy: -69.723 tors. eta vs tors. theta energy: -141.355 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: 4 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1571.658608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.658608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.658608 (E_RNA) where: Base-Base interactions energy: -1076.158 where: short stacking energy: -460.915 Base-Backbone interact. energy: -0.799 local terms energy: -494.701987 where: bonds (distance) C4'-P energy: -89.125 bonds (distance) P-C4' energy: -100.225 flat angles C4'-P-C4' energy: -101.968 flat angles P-C4'-P energy: -75.178 tors. eta vs tors. theta energy: -128.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1486.196796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.196796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.196796 (E_RNA) where: Base-Base interactions energy: -1031.867 where: short stacking energy: -433.969 Base-Backbone interact. energy: -0.143 local terms energy: -454.187246 where: bonds (distance) C4'-P energy: -95.066 bonds (distance) P-C4' energy: -94.965 flat angles C4'-P-C4' energy: -90.029 flat angles P-C4'-P energy: -61.045 tors. eta vs tors. theta energy: -113.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -1432.884584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.884584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.884584 (E_RNA) where: Base-Base interactions energy: -984.822 where: short stacking energy: -438.564 Base-Backbone interact. energy: -2.037 local terms energy: -446.025463 where: bonds (distance) C4'-P energy: -87.305 bonds (distance) P-C4' energy: -74.777 flat angles C4'-P-C4' energy: -89.666 flat angles P-C4'-P energy: -64.548 tors. eta vs tors. theta energy: -129.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -1217.762532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.762532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.762532 (E_RNA) where: Base-Base interactions energy: -846.903 where: short stacking energy: -374.018 Base-Backbone interact. energy: 0.421 local terms energy: -371.280754 where: bonds (distance) C4'-P energy: -74.412 bonds (distance) P-C4' energy: -74.520 flat angles C4'-P-C4' energy: -75.694 flat angles P-C4'-P energy: -55.237 tors. eta vs tors. theta energy: -91.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -1161.067240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.067240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.067240 (E_RNA) where: Base-Base interactions energy: -778.608 where: short stacking energy: -344.045 Base-Backbone interact. energy: -0.170 local terms energy: -382.288610 where: bonds (distance) C4'-P energy: -74.859 bonds (distance) P-C4' energy: -93.719 flat angles C4'-P-C4' energy: -77.696 flat angles P-C4'-P energy: -57.966 tors. eta vs tors. theta energy: -78.049 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: 10 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -914.601706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.601706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.601706 (E_RNA) where: Base-Base interactions energy: -589.618 where: short stacking energy: -278.055 Base-Backbone interact. energy: 2.247 local terms energy: -327.231080 where: bonds (distance) C4'-P energy: -87.659 bonds (distance) P-C4' energy: -75.350 flat angles C4'-P-C4' energy: -66.972 flat angles P-C4'-P energy: -55.607 tors. eta vs tors. theta energy: -41.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -815.252396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.252396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.252396 (E_RNA) where: Base-Base interactions energy: -499.492 where: short stacking energy: -230.293 Base-Backbone interact. energy: -1.899 local terms energy: -313.862134 where: bonds (distance) C4'-P energy: -74.017 bonds (distance) P-C4' energy: -96.703 flat angles C4'-P-C4' energy: -81.400 flat angles P-C4'-P energy: -38.736 tors. eta vs tors. theta energy: -23.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1854.202536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.202536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.202536 (E_RNA) where: Base-Base interactions energy: -1296.402 where: short stacking energy: -546.458 Base-Backbone interact. energy: -2.389 local terms energy: -555.410919 where: bonds (distance) C4'-P energy: -99.225 bonds (distance) P-C4' energy: -97.897 flat angles C4'-P-C4' energy: -122.265 flat angles P-C4'-P energy: -80.195 tors. eta vs tors. theta energy: -155.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1745.810855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.810855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.810855 (E_RNA) where: Base-Base interactions energy: -1208.277 where: short stacking energy: -517.155 Base-Backbone interact. energy: -1.512 local terms energy: -536.021760 where: bonds (distance) C4'-P energy: -103.302 bonds (distance) P-C4' energy: -103.810 flat angles C4'-P-C4' energy: -120.093 flat angles P-C4'-P energy: -70.336 tors. eta vs tors. theta energy: -138.481 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: 3, replica: 3 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1661.100162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.100162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.100162 (E_RNA) where: Base-Base interactions energy: -1153.074 where: short stacking energy: -493.653 Base-Backbone interact. energy: -1.785 local terms energy: -506.240875 where: bonds (distance) C4'-P energy: -96.644 bonds (distance) P-C4' energy: -90.871 flat angles C4'-P-C4' energy: -105.583 flat angles P-C4'-P energy: -75.596 tors. eta vs tors. theta energy: -137.547 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: 4 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1555.699077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.699077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.699077 (E_RNA) where: Base-Base interactions energy: -1069.914 where: short stacking energy: -463.457 Base-Backbone interact. energy: -2.366 local terms energy: -483.419682 where: bonds (distance) C4'-P energy: -94.371 bonds (distance) P-C4' energy: -90.971 flat angles C4'-P-C4' energy: -101.015 flat angles P-C4'-P energy: -63.016 tors. eta vs tors. theta energy: -134.047 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: 7 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -1455.194869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.194869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.194869 (E_RNA) where: Base-Base interactions energy: -983.281 where: short stacking energy: -423.742 Base-Backbone interact. energy: 0.165 local terms energy: -472.078518 where: bonds (distance) C4'-P energy: -95.015 bonds (distance) P-C4' energy: -97.813 flat angles C4'-P-C4' energy: -98.116 flat angles P-C4'-P energy: -63.510 tors. eta vs tors. theta energy: -117.624 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: 9 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -1489.790356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.790356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.790356 (E_RNA) where: Base-Base interactions energy: -1038.821 where: short stacking energy: -460.017 Base-Backbone interact. energy: -0.134 local terms energy: -450.835312 where: bonds (distance) C4'-P energy: -74.207 bonds (distance) P-C4' energy: -78.338 flat angles C4'-P-C4' energy: -99.202 flat angles P-C4'-P energy: -67.979 tors. eta vs tors. theta energy: -131.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -1164.830091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.830091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.830091 (E_RNA) where: Base-Base interactions energy: -778.126 where: short stacking energy: -357.239 Base-Backbone interact. energy: 0.866 local terms energy: -387.570512 where: bonds (distance) C4'-P energy: -81.296 bonds (distance) P-C4' energy: -71.162 flat angles C4'-P-C4' energy: -95.249 flat angles P-C4'-P energy: -58.016 tors. eta vs tors. theta energy: -81.847 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: 215 Temperature: 1.250000 Total energy: -1137.395830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.395830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.395830 (E_RNA) where: Base-Base interactions energy: -756.052 where: short stacking energy: -331.748 Base-Backbone interact. energy: 3.121 local terms energy: -384.464090 where: bonds (distance) C4'-P energy: -89.473 bonds (distance) P-C4' energy: -76.753 flat angles C4'-P-C4' energy: -80.887 flat angles P-C4'-P energy: -51.405 tors. eta vs tors. theta energy: -85.945 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: 10 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -942.530119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.530119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.530119 (E_RNA) where: Base-Base interactions energy: -608.750 where: short stacking energy: -284.266 Base-Backbone interact. energy: 2.478 local terms energy: -336.258364 where: bonds (distance) C4'-P energy: -65.749 bonds (distance) P-C4' energy: -85.993 flat angles C4'-P-C4' energy: -77.651 flat angles P-C4'-P energy: -54.871 tors. eta vs tors. theta energy: -51.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -771.820128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.820128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.820128 (E_RNA) where: Base-Base interactions energy: -478.183 where: short stacking energy: -212.280 Base-Backbone interact. energy: 1.667 local terms energy: -295.303903 where: bonds (distance) C4'-P energy: -80.763 bonds (distance) P-C4' energy: -83.699 flat angles C4'-P-C4' energy: -71.078 flat angles P-C4'-P energy: -43.545 tors. eta vs tors. theta energy: -16.218 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: 6 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1850.669747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.669747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.669747 (E_RNA) where: Base-Base interactions energy: -1323.993 where: short stacking energy: -545.041 Base-Backbone interact. energy: -2.246 local terms energy: -524.430851 where: bonds (distance) C4'-P energy: -89.810 bonds (distance) P-C4' energy: -90.436 flat angles C4'-P-C4' energy: -110.249 flat angles P-C4'-P energy: -79.957 tors. eta vs tors. theta energy: -153.979 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: 216 Temperature: 0.950000 Total energy: -1742.523312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.523312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.523312 (E_RNA) where: Base-Base interactions energy: -1214.938 where: short stacking energy: -515.548 Base-Backbone interact. energy: -2.583 local terms energy: -525.002583 where: bonds (distance) C4'-P energy: -93.539 bonds (distance) P-C4' energy: -96.186 flat angles C4'-P-C4' energy: -110.355 flat angles P-C4'-P energy: -78.644 tors. eta vs tors. theta energy: -146.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1648.957481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.957481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.957481 (E_RNA) where: Base-Base interactions energy: -1135.385 where: short stacking energy: -496.505 Base-Backbone interact. energy: -2.549 local terms energy: -511.024043 where: bonds (distance) C4'-P energy: -90.037 bonds (distance) P-C4' energy: -99.108 flat angles C4'-P-C4' energy: -105.778 flat angles P-C4'-P energy: -68.204 tors. eta vs tors. theta energy: -147.896 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: 216 Temperature: 1.050000 Total energy: -1581.036089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.036089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.036089 (E_RNA) where: Base-Base interactions energy: -1089.236 where: short stacking energy: -467.586 Base-Backbone interact. energy: 0.066 local terms energy: -491.866460 where: bonds (distance) C4'-P energy: -85.287 bonds (distance) P-C4' energy: -97.433 flat angles C4'-P-C4' energy: -110.099 flat angles P-C4'-P energy: -62.052 tors. eta vs tors. theta energy: -136.996 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: 216 Temperature: 1.100000 Total energy: -1449.997883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.997883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.997883 (E_RNA) where: Base-Base interactions energy: -1002.368 where: short stacking energy: -420.763 Base-Backbone interact. energy: 3.225 local terms energy: -450.855401 where: bonds (distance) C4'-P energy: -88.856 bonds (distance) P-C4' energy: -84.732 flat angles C4'-P-C4' energy: -94.396 flat angles P-C4'-P energy: -66.193 tors. eta vs tors. theta energy: -116.678 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: 6, replica: 9 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -1438.370931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.370931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.370931 (E_RNA) where: Base-Base interactions energy: -957.264 where: short stacking energy: -451.296 Base-Backbone interact. energy: -0.490 local terms energy: -480.617456 where: bonds (distance) C4'-P energy: -82.912 bonds (distance) P-C4' energy: -90.751 flat angles C4'-P-C4' energy: -114.046 flat angles P-C4'-P energy: -65.221 tors. eta vs tors. theta energy: -127.687 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: 216 Temperature: 1.200000 Total energy: -1233.907839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1233.907839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1233.907839 (E_RNA) where: Base-Base interactions energy: -829.544 where: short stacking energy: -364.232 Base-Backbone interact. energy: -1.524 local terms energy: -402.839042 where: bonds (distance) C4'-P energy: -86.640 bonds (distance) P-C4' energy: -85.029 flat angles C4'-P-C4' energy: -82.838 flat angles P-C4'-P energy: -55.302 tors. eta vs tors. theta energy: -93.031 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: 8, replica: 1 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -1135.958077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.958077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.958077 (E_RNA) where: Base-Base interactions energy: -742.148 where: short stacking energy: -332.096 Base-Backbone interact. energy: -0.362 local terms energy: -393.447556 where: bonds (distance) C4'-P energy: -87.346 bonds (distance) P-C4' energy: -89.999 flat angles C4'-P-C4' energy: -81.191 flat angles P-C4'-P energy: -65.893 tors. eta vs tors. theta energy: -69.019 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: 10 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -930.059738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.059738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.059738 (E_RNA) where: Base-Base interactions energy: -606.344 where: short stacking energy: -277.534 Base-Backbone interact. energy: 4.812 local terms energy: -328.528022 where: bonds (distance) C4'-P energy: -73.503 bonds (distance) P-C4' energy: -76.410 flat angles C4'-P-C4' energy: -91.430 flat angles P-C4'-P energy: -41.189 tors. eta vs tors. theta energy: -45.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -745.850983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.850983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.850983 (E_RNA) where: Base-Base interactions energy: -468.089 where: short stacking energy: -211.253 Base-Backbone interact. energy: 0.684 local terms energy: -278.446189 where: bonds (distance) C4'-P energy: -75.379 bonds (distance) P-C4' energy: -77.000 flat angles C4'-P-C4' energy: -76.498 flat angles P-C4'-P energy: -30.771 tors. eta vs tors. theta energy: -18.799 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: 1, replica: 6 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1859.915141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.915141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.915141 (E_RNA) where: Base-Base interactions energy: -1328.900 where: short stacking energy: -560.493 Base-Backbone interact. energy: -2.155 local terms energy: -528.860517 where: bonds (distance) C4'-P energy: -96.927 bonds (distance) P-C4' energy: -87.324 flat angles C4'-P-C4' energy: -112.691 flat angles P-C4'-P energy: -75.853 tors. eta vs tors. theta energy: -156.066 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: 217 Temperature: 0.950000 Total energy: -1747.292640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.292640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.292640 (E_RNA) where: Base-Base interactions energy: -1231.074 where: short stacking energy: -520.945 Base-Backbone interact. energy: 1.509 local terms energy: -517.727608 where: bonds (distance) C4'-P energy: -82.204 bonds (distance) P-C4' energy: -97.184 flat angles C4'-P-C4' energy: -123.503 flat angles P-C4'-P energy: -75.499 tors. eta vs tors. theta energy: -139.338 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: 3 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1675.043894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.043894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.043894 (E_RNA) where: Base-Base interactions energy: -1172.262 where: short stacking energy: -500.213 Base-Backbone interact. energy: -3.494 local terms energy: -499.287522 where: bonds (distance) C4'-P energy: -90.743 bonds (distance) P-C4' energy: -89.107 flat angles C4'-P-C4' energy: -98.210 flat angles P-C4'-P energy: -78.197 tors. eta vs tors. theta energy: -143.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1556.977827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.977827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.977827 (E_RNA) where: Base-Base interactions energy: -1086.140 where: short stacking energy: -464.459 Base-Backbone interact. energy: 1.330 local terms energy: -472.167936 where: bonds (distance) C4'-P energy: -92.972 bonds (distance) P-C4' energy: -88.324 flat angles C4'-P-C4' energy: -102.453 flat angles P-C4'-P energy: -60.622 tors. eta vs tors. theta energy: -127.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -1436.761851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.761851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.761851 (E_RNA) where: Base-Base interactions energy: -973.392 where: short stacking energy: -414.412 Base-Backbone interact. energy: 3.315 local terms energy: -466.685251 where: bonds (distance) C4'-P energy: -92.054 bonds (distance) P-C4' energy: -100.072 flat angles C4'-P-C4' energy: -96.308 flat angles P-C4'-P energy: -67.681 tors. eta vs tors. theta energy: -110.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -1444.875979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.875979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.875979 (E_RNA) where: Base-Base interactions energy: -982.985 where: short stacking energy: -413.896 Base-Backbone interact. energy: -3.716 local terms energy: -458.174728 where: bonds (distance) C4'-P energy: -80.126 bonds (distance) P-C4' energy: -101.531 flat angles C4'-P-C4' energy: -99.849 flat angles P-C4'-P energy: -60.921 tors. eta vs tors. theta energy: -115.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -1235.652962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.652962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.652962 (E_RNA) where: Base-Base interactions energy: -843.439 where: short stacking energy: -369.111 Base-Backbone interact. energy: -1.976 local terms energy: -390.238725 where: bonds (distance) C4'-P energy: -79.200 bonds (distance) P-C4' energy: -78.009 flat angles C4'-P-C4' energy: -93.076 flat angles P-C4'-P energy: -43.081 tors. eta vs tors. theta energy: -96.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -1166.301658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.301658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.301658 (E_RNA) where: Base-Base interactions energy: -775.316 where: short stacking energy: -348.274 Base-Backbone interact. energy: 0.243 local terms energy: -391.229345 where: bonds (distance) C4'-P energy: -75.410 bonds (distance) P-C4' energy: -77.628 flat angles C4'-P-C4' energy: -95.120 flat angles P-C4'-P energy: -53.045 tors. eta vs tors. theta energy: -90.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -900.203424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.203424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.203424 (E_RNA) where: Base-Base interactions energy: -591.900 where: short stacking energy: -259.480 Base-Backbone interact. energy: -2.123 local terms energy: -306.180613 where: bonds (distance) C4'-P energy: -81.630 bonds (distance) P-C4' energy: -64.785 flat angles C4'-P-C4' energy: -73.791 flat angles P-C4'-P energy: -49.867 tors. eta vs tors. theta energy: -36.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -676.321421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.321421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.321421 (E_RNA) where: Base-Base interactions energy: -419.934 where: short stacking energy: -194.916 Base-Backbone interact. energy: -2.119 local terms energy: -254.269204 where: bonds (distance) C4'-P energy: -59.416 bonds (distance) P-C4' energy: -86.034 flat angles C4'-P-C4' energy: -58.774 flat angles P-C4'-P energy: -49.622 tors. eta vs tors. theta energy: -0.424 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: 6 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1863.391231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.391231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.391231 (E_RNA) where: Base-Base interactions energy: -1344.071 where: short stacking energy: -571.695 Base-Backbone interact. energy: -0.731 local terms energy: -518.588994 where: bonds (distance) C4'-P energy: -87.896 bonds (distance) P-C4' energy: -89.650 flat angles C4'-P-C4' energy: -114.680 flat angles P-C4'-P energy: -73.079 tors. eta vs tors. theta energy: -153.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1774.929294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.929294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.929294 (E_RNA) where: Base-Base interactions energy: -1258.807 where: short stacking energy: -540.407 Base-Backbone interact. energy: -3.618 local terms energy: -512.504497 where: bonds (distance) C4'-P energy: -94.410 bonds (distance) P-C4' energy: -98.633 flat angles C4'-P-C4' energy: -104.765 flat angles P-C4'-P energy: -74.361 tors. eta vs tors. theta energy: -140.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1679.533859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.533859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.533859 (E_RNA) where: Base-Base interactions energy: -1170.100 where: short stacking energy: -508.027 Base-Backbone interact. energy: -2.299 local terms energy: -507.135120 where: bonds (distance) C4'-P energy: -88.209 bonds (distance) P-C4' energy: -105.047 flat angles C4'-P-C4' energy: -110.313 flat angles P-C4'-P energy: -68.421 tors. eta vs tors. theta energy: -135.146 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: 4, replica: 4 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -1595.645918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.645918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.645918 (E_RNA) where: Base-Base interactions energy: -1120.562 where: short stacking energy: -495.862 Base-Backbone interact. energy: 2.168 local terms energy: -477.252655 where: bonds (distance) C4'-P energy: -88.670 bonds (distance) P-C4' energy: -70.965 flat angles C4'-P-C4' energy: -115.248 flat angles P-C4'-P energy: -63.312 tors. eta vs tors. theta energy: -139.057 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: 7 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -1463.996906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1463.996906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1463.996906 (E_RNA) where: Base-Base interactions energy: -1002.917 where: short stacking energy: -440.061 Base-Backbone interact. energy: 1.295 local terms energy: -462.374985 where: bonds (distance) C4'-P energy: -82.312 bonds (distance) P-C4' energy: -85.073 flat angles C4'-P-C4' energy: -100.631 flat angles P-C4'-P energy: -71.871 tors. eta vs tors. theta energy: -122.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -1400.374516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.374516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.374516 (E_RNA) where: Base-Base interactions energy: -970.512 where: short stacking energy: -420.579 Base-Backbone interact. energy: -1.748 local terms energy: -428.114663 where: bonds (distance) C4'-P energy: -77.403 bonds (distance) P-C4' energy: -82.492 flat angles C4'-P-C4' energy: -92.125 flat angles P-C4'-P energy: -54.534 tors. eta vs tors. theta energy: -121.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -1182.628558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.628558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.628558 (E_RNA) where: Base-Base interactions energy: -780.659 where: short stacking energy: -339.543 Base-Backbone interact. energy: -1.392 local terms energy: -400.577289 where: bonds (distance) C4'-P energy: -80.996 bonds (distance) P-C4' energy: -100.731 flat angles C4'-P-C4' energy: -88.426 flat angles P-C4'-P energy: -52.782 tors. eta vs tors. theta energy: -77.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -1107.974016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.974016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.974016 (E_RNA) where: Base-Base interactions energy: -724.755 where: short stacking energy: -311.367 Base-Backbone interact. energy: -1.466 local terms energy: -381.752532 where: bonds (distance) C4'-P energy: -76.266 bonds (distance) P-C4' energy: -98.094 flat angles C4'-P-C4' energy: -86.701 flat angles P-C4'-P energy: -56.720 tors. eta vs tors. theta energy: -63.970 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: 10 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -912.524895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.524895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.524895 (E_RNA) where: Base-Base interactions energy: -577.709 where: short stacking energy: -246.339 Base-Backbone interact. energy: 2.619 local terms energy: -337.434964 where: bonds (distance) C4'-P energy: -76.974 bonds (distance) P-C4' energy: -80.687 flat angles C4'-P-C4' energy: -86.091 flat angles P-C4'-P energy: -49.499 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: 2 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -651.717571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.717571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.717571 (E_RNA) where: Base-Base interactions energy: -383.998 where: short stacking energy: -201.438 Base-Backbone interact. energy: -0.415 local terms energy: -267.304780 where: bonds (distance) C4'-P energy: -73.518 bonds (distance) P-C4' energy: -73.424 flat angles C4'-P-C4' energy: -61.102 flat angles P-C4'-P energy: -43.938 tors. eta vs tors. theta energy: -15.323 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: 6 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1887.791830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.791830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.791830 (E_RNA) where: Base-Base interactions energy: -1324.065 where: short stacking energy: -553.030 Base-Backbone interact. energy: -0.448 local terms energy: -563.279104 where: bonds (distance) C4'-P energy: -99.236 bonds (distance) P-C4' energy: -98.414 flat angles C4'-P-C4' energy: -128.497 flat angles P-C4'-P energy: -86.696 tors. eta vs tors. theta energy: -150.437 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: 219 Temperature: 0.950000 Total energy: -1745.673814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.673814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.673814 (E_RNA) where: Base-Base interactions energy: -1232.006 where: short stacking energy: -509.036 Base-Backbone interact. energy: -1.397 local terms energy: -512.270955 where: bonds (distance) C4'-P energy: -92.392 bonds (distance) P-C4' energy: -108.748 flat angles C4'-P-C4' energy: -99.905 flat angles P-C4'-P energy: -71.411 tors. eta vs tors. theta energy: -139.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1702.830925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.830925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.830925 (E_RNA) where: Base-Base interactions energy: -1188.870 where: short stacking energy: -504.253 Base-Backbone interact. energy: -3.437 local terms energy: -510.523975 where: bonds (distance) C4'-P energy: -89.093 bonds (distance) P-C4' energy: -100.722 flat angles C4'-P-C4' energy: -112.855 flat angles P-C4'-P energy: -71.245 tors. eta vs tors. theta energy: -136.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1588.524058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.524058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.524058 (E_RNA) where: Base-Base interactions energy: -1091.541 where: short stacking energy: -463.307 Base-Backbone interact. energy: -2.524 local terms energy: -494.458951 where: bonds (distance) C4'-P energy: -82.227 bonds (distance) P-C4' energy: -92.731 flat angles C4'-P-C4' energy: -102.642 flat angles P-C4'-P energy: -76.266 tors. eta vs tors. theta energy: -140.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -1501.163621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.163621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.163621 (E_RNA) where: Base-Base interactions energy: -1017.568 where: short stacking energy: -431.492 Base-Backbone interact. energy: -1.477 local terms energy: -482.118777 where: bonds (distance) C4'-P energy: -94.862 bonds (distance) P-C4' energy: -89.309 flat angles C4'-P-C4' energy: -106.812 flat angles P-C4'-P energy: -72.040 tors. eta vs tors. theta energy: -119.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -1411.394717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.394717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.394717 (E_RNA) where: Base-Base interactions energy: -951.034 where: short stacking energy: -408.717 Base-Backbone interact. energy: -2.998 local terms energy: -457.362900 where: bonds (distance) C4'-P energy: -92.493 bonds (distance) P-C4' energy: -86.804 flat angles C4'-P-C4' energy: -96.781 flat angles P-C4'-P energy: -72.770 tors. eta vs tors. theta energy: -108.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -1196.176057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.176057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.176057 (E_RNA) where: Base-Base interactions energy: -783.409 where: short stacking energy: -364.818 Base-Backbone interact. energy: 0.301 local terms energy: -413.068108 where: bonds (distance) C4'-P energy: -86.302 bonds (distance) P-C4' energy: -90.306 flat angles C4'-P-C4' energy: -90.771 flat angles P-C4'-P energy: -54.757 tors. eta vs tors. theta energy: -90.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -1102.110919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.110919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.110919 (E_RNA) where: Base-Base interactions energy: -741.917 where: short stacking energy: -324.146 Base-Backbone interact. energy: 2.314 local terms energy: -362.507925 where: bonds (distance) C4'-P energy: -74.751 bonds (distance) P-C4' energy: -73.959 flat angles C4'-P-C4' energy: -89.843 flat angles P-C4'-P energy: -48.897 tors. eta vs tors. theta energy: -75.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -904.326747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.326747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.326747 (E_RNA) where: Base-Base interactions energy: -582.768 where: short stacking energy: -265.704 Base-Backbone interact. energy: -1.616 local terms energy: -319.943362 where: bonds (distance) C4'-P energy: -74.925 bonds (distance) P-C4' energy: -77.133 flat angles C4'-P-C4' energy: -83.401 flat angles P-C4'-P energy: -49.655 tors. eta vs tors. theta energy: -34.830 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: 2 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -708.777134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.777134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.777134 (E_RNA) where: Base-Base interactions energy: -401.581 where: short stacking energy: -184.457 Base-Backbone interact. energy: -1.206 local terms energy: -305.990115 where: bonds (distance) C4'-P energy: -81.161 bonds (distance) P-C4' energy: -97.519 flat angles C4'-P-C4' energy: -68.999 flat angles P-C4'-P energy: -48.170 tors. eta vs tors. theta energy: -10.141 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: 6 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1885.923386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.923386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.923386 (E_RNA) where: Base-Base interactions energy: -1349.146 where: short stacking energy: -561.455 Base-Backbone interact. energy: -0.874 local terms energy: -535.903939 where: bonds (distance) C4'-P energy: -93.609 bonds (distance) P-C4' energy: -102.036 flat angles C4'-P-C4' energy: -111.632 flat angles P-C4'-P energy: -77.451 tors. eta vs tors. theta energy: -151.175 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: 220 Temperature: 0.950000 Total energy: -1740.103039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.103039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.103039 (E_RNA) where: Base-Base interactions energy: -1212.321 where: short stacking energy: -492.458 Base-Backbone interact. energy: -0.925 local terms energy: -526.856904 where: bonds (distance) C4'-P energy: -94.545 bonds (distance) P-C4' energy: -99.111 flat angles C4'-P-C4' energy: -111.333 flat angles P-C4'-P energy: -83.908 tors. eta vs tors. theta energy: -137.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1677.534195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.534195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.534195 (E_RNA) where: Base-Base interactions energy: -1160.825 where: short stacking energy: -519.329 Base-Backbone interact. energy: -1.902 local terms energy: -514.806999 where: bonds (distance) C4'-P energy: -105.224 bonds (distance) P-C4' energy: -83.206 flat angles C4'-P-C4' energy: -106.547 flat angles P-C4'-P energy: -73.384 tors. eta vs tors. theta energy: -146.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1592.862454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.862454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.862454 (E_RNA) where: Base-Base interactions energy: -1096.462 where: short stacking energy: -492.548 Base-Backbone interact. energy: -2.144 local terms energy: -494.256905 where: bonds (distance) C4'-P energy: -83.107 bonds (distance) P-C4' energy: -95.941 flat angles C4'-P-C4' energy: -108.833 flat angles P-C4'-P energy: -67.294 tors. eta vs tors. theta energy: -139.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -1464.989602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.989602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.989602 (E_RNA) where: Base-Base interactions energy: -985.545 where: short stacking energy: -443.175 Base-Backbone interact. energy: -2.864 local terms energy: -476.580919 where: bonds (distance) C4'-P energy: -86.191 bonds (distance) P-C4' energy: -103.804 flat angles C4'-P-C4' energy: -103.960 flat angles P-C4'-P energy: -55.772 tors. eta vs tors. theta energy: -126.855 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: 9 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -1396.440617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.440617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.440617 (E_RNA) where: Base-Base interactions energy: -977.255 where: short stacking energy: -410.396 Base-Backbone interact. energy: -1.853 local terms energy: -417.332818 where: bonds (distance) C4'-P energy: -64.646 bonds (distance) P-C4' energy: -94.952 flat angles C4'-P-C4' energy: -101.358 flat angles P-C4'-P energy: -53.881 tors. eta vs tors. theta energy: -102.496 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: 7, replica: 1 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -1226.059256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.059256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.059256 (E_RNA) where: Base-Base interactions energy: -833.900 where: short stacking energy: -371.141 Base-Backbone interact. energy: 0.349 local terms energy: -392.508261 where: bonds (distance) C4'-P energy: -68.384 bonds (distance) P-C4' energy: -94.189 flat angles C4'-P-C4' energy: -91.937 flat angles P-C4'-P energy: -55.065 tors. eta vs tors. theta energy: -82.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -1144.638774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.638774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.638774 (E_RNA) where: Base-Base interactions energy: -761.670 where: short stacking energy: -332.625 Base-Backbone interact. energy: 2.920 local terms energy: -385.888847 where: bonds (distance) C4'-P energy: -89.895 bonds (distance) P-C4' energy: -90.779 flat angles C4'-P-C4' energy: -71.821 flat angles P-C4'-P energy: -52.206 tors. eta vs tors. theta energy: -81.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -829.854107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.854107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.854107 (E_RNA) where: Base-Base interactions energy: -550.916 where: short stacking energy: -242.121 Base-Backbone interact. energy: 4.693 local terms energy: -283.630543 where: bonds (distance) C4'-P energy: -92.766 bonds (distance) P-C4' energy: -63.351 flat angles C4'-P-C4' energy: -81.155 flat angles P-C4'-P energy: -27.462 tors. eta vs tors. theta energy: -18.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -617.902256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.902256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.902256 (E_RNA) where: Base-Base interactions energy: -359.787 where: short stacking energy: -182.240 Base-Backbone interact. energy: 0.674 local terms energy: -258.789416 where: bonds (distance) C4'-P energy: -84.388 bonds (distance) P-C4' energy: -63.190 flat angles C4'-P-C4' energy: -77.875 flat angles P-C4'-P energy: -32.258 tors. eta vs tors. theta energy: -1.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1892.670195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.670195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.670195 (E_RNA) where: Base-Base interactions energy: -1366.063 where: short stacking energy: -576.711 Base-Backbone interact. energy: -1.659 local terms energy: -524.947821 where: bonds (distance) C4'-P energy: -95.709 bonds (distance) P-C4' energy: -85.419 flat angles C4'-P-C4' energy: -111.974 flat angles P-C4'-P energy: -81.225 tors. eta vs tors. theta energy: -150.621 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: 221 Temperature: 0.950000 Total energy: -1712.989122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.989122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.989122 (E_RNA) where: Base-Base interactions energy: -1212.096 where: short stacking energy: -540.137 Base-Backbone interact. energy: -2.420 local terms energy: -498.472509 where: bonds (distance) C4'-P energy: -87.412 bonds (distance) P-C4' energy: -85.409 flat angles C4'-P-C4' energy: -101.634 flat angles P-C4'-P energy: -79.069 tors. eta vs tors. theta energy: -144.950 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: 221 Temperature: 1.000000 Total energy: -1704.235949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.235949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.235949 (E_RNA) where: Base-Base interactions energy: -1198.544 where: short stacking energy: -517.535 Base-Backbone interact. energy: -3.180 local terms energy: -502.512672 where: bonds (distance) C4'-P energy: -80.442 bonds (distance) P-C4' energy: -91.435 flat angles C4'-P-C4' energy: -113.689 flat angles P-C4'-P energy: -65.617 tors. eta vs tors. theta energy: -151.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -1633.612229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.612229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.612229 (E_RNA) where: Base-Base interactions energy: -1128.258 where: short stacking energy: -480.632 Base-Backbone interact. energy: 2.525 local terms energy: -507.879790 where: bonds (distance) C4'-P energy: -86.724 bonds (distance) P-C4' energy: -91.230 flat angles C4'-P-C4' energy: -111.317 flat angles P-C4'-P energy: -73.814 tors. eta vs tors. theta energy: -144.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -1503.381369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.381369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.381369 (E_RNA) where: Base-Base interactions energy: -1034.159 where: short stacking energy: -442.976 Base-Backbone interact. energy: -2.077 local terms energy: -467.145322 where: bonds (distance) C4'-P energy: -91.751 bonds (distance) P-C4' energy: -78.702 flat angles C4'-P-C4' energy: -105.945 flat angles P-C4'-P energy: -63.128 tors. eta vs tors. theta energy: -127.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -1432.107533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.107533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.107533 (E_RNA) where: Base-Base interactions energy: -992.133 where: short stacking energy: -441.697 Base-Backbone interact. energy: -1.113 local terms energy: -438.861937 where: bonds (distance) C4'-P energy: -82.436 bonds (distance) P-C4' energy: -83.976 flat angles C4'-P-C4' energy: -98.089 flat angles P-C4'-P energy: -56.915 tors. eta vs tors. theta energy: -117.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -1272.911162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.911162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.911162 (E_RNA) where: Base-Base interactions energy: -851.483 where: short stacking energy: -387.117 Base-Backbone interact. energy: 0.264 local terms energy: -421.692920 where: bonds (distance) C4'-P energy: -86.468 bonds (distance) P-C4' energy: -86.478 flat angles C4'-P-C4' energy: -94.387 flat angles P-C4'-P energy: -56.916 tors. eta vs tors. theta energy: -97.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -1162.429618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.429618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.429618 (E_RNA) where: Base-Base interactions energy: -786.197 where: short stacking energy: -333.916 Base-Backbone interact. energy: -0.300 local terms energy: -375.933008 where: bonds (distance) C4'-P energy: -73.970 bonds (distance) P-C4' energy: -83.971 flat angles C4'-P-C4' energy: -93.974 flat angles P-C4'-P energy: -48.337 tors. eta vs tors. theta energy: -75.680 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: 221 Temperature: 1.300000 Total energy: -807.237136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.237136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.237136 (E_RNA) where: Base-Base interactions energy: -474.410 where: short stacking energy: -235.967 Base-Backbone interact. energy: -1.821 local terms energy: -331.006682 where: bonds (distance) C4'-P energy: -69.182 bonds (distance) P-C4' energy: -95.265 flat angles C4'-P-C4' energy: -91.821 flat angles P-C4'-P energy: -39.031 tors. eta vs tors. theta energy: -35.707 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: 10, replica: 2 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -622.321882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.321882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.321882 (E_RNA) where: Base-Base interactions energy: -347.051 where: short stacking energy: -194.572 Base-Backbone interact. energy: -4.057 local terms energy: -271.214166 where: bonds (distance) C4'-P energy: -73.267 bonds (distance) P-C4' energy: -83.440 flat angles C4'-P-C4' energy: -71.155 flat angles P-C4'-P energy: -30.894 tors. eta vs tors. theta energy: -12.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1890.562966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.562966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.562966 (E_RNA) where: Base-Base interactions energy: -1349.081 where: short stacking energy: -569.783 Base-Backbone interact. energy: -1.665 local terms energy: -539.816228 where: bonds (distance) C4'-P energy: -88.553 bonds (distance) P-C4' energy: -102.031 flat angles C4'-P-C4' energy: -112.476 flat angles P-C4'-P energy: -83.900 tors. eta vs tors. theta energy: -152.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1717.288420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.288420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.288420 (E_RNA) where: Base-Base interactions energy: -1183.070 where: short stacking energy: -525.137 Base-Backbone interact. energy: -4.094 local terms energy: -530.123578 where: bonds (distance) C4'-P energy: -92.542 bonds (distance) P-C4' energy: -94.659 flat angles C4'-P-C4' energy: -111.148 flat angles P-C4'-P energy: -81.858 tors. eta vs tors. theta energy: -149.918 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: 5 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1716.655771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.655771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.655771 (E_RNA) where: Base-Base interactions energy: -1210.547 where: short stacking energy: -524.431 Base-Backbone interact. energy: -3.404 local terms energy: -502.704260 where: bonds (distance) C4'-P energy: -90.457 bonds (distance) P-C4' energy: -84.707 flat angles C4'-P-C4' energy: -106.946 flat angles P-C4'-P energy: -72.667 tors. eta vs tors. theta energy: -147.927 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: 4 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1582.389077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.389077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.389077 (E_RNA) where: Base-Base interactions energy: -1106.818 where: short stacking energy: -465.632 Base-Backbone interact. energy: -0.491 local terms energy: -475.080449 where: bonds (distance) C4'-P energy: -87.203 bonds (distance) P-C4' energy: -80.041 flat angles C4'-P-C4' energy: -107.864 flat angles P-C4'-P energy: -61.339 tors. eta vs tors. theta energy: -138.634 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: 9 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -1473.178135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.178135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.178135 (E_RNA) where: Base-Base interactions energy: -1020.613 where: short stacking energy: -408.103 Base-Backbone interact. energy: -2.061 local terms energy: -450.503676 where: bonds (distance) C4'-P energy: -92.414 bonds (distance) P-C4' energy: -79.019 flat angles C4'-P-C4' energy: -107.811 flat angles P-C4'-P energy: -65.694 tors. eta vs tors. theta energy: -105.566 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: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -1467.352166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.352166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.352166 (E_RNA) where: Base-Base interactions energy: -1033.386 where: short stacking energy: -422.815 Base-Backbone interact. energy: -1.746 local terms energy: -432.220034 where: bonds (distance) C4'-P energy: -78.928 bonds (distance) P-C4' energy: -74.825 flat angles C4'-P-C4' energy: -94.270 flat angles P-C4'-P energy: -69.939 tors. eta vs tors. theta energy: -114.258 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: 1 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -1236.100099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.100099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.100099 (E_RNA) where: Base-Base interactions energy: -842.145 where: short stacking energy: -383.594 Base-Backbone interact. energy: 0.936 local terms energy: -394.890308 where: bonds (distance) C4'-P energy: -80.270 bonds (distance) P-C4' energy: -87.890 flat angles C4'-P-C4' energy: -87.962 flat angles P-C4'-P energy: -47.674 tors. eta vs tors. theta energy: -91.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -1258.418720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.418720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.418720 (E_RNA) where: Base-Base interactions energy: -876.440 where: short stacking energy: -380.758 Base-Backbone interact. energy: 2.434 local terms energy: -384.412911 where: bonds (distance) C4'-P energy: -66.721 bonds (distance) P-C4' energy: -76.271 flat angles C4'-P-C4' energy: -100.211 flat angles P-C4'-P energy: -44.838 tors. eta vs tors. theta energy: -96.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -807.122252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.122252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.122252 (E_RNA) where: Base-Base interactions energy: -477.642 where: short stacking energy: -242.501 Base-Backbone interact. energy: -2.742 local terms energy: -326.737559 where: bonds (distance) C4'-P energy: -80.965 bonds (distance) P-C4' energy: -81.931 flat angles C4'-P-C4' energy: -82.999 flat angles P-C4'-P energy: -47.088 tors. eta vs tors. theta energy: -33.753 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: 2 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -635.913339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.913339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.913339 (E_RNA) where: Base-Base interactions energy: -382.761 where: short stacking energy: -194.117 Base-Backbone interact. energy: 7.023 local terms energy: -260.175697 where: bonds (distance) C4'-P energy: -75.925 bonds (distance) P-C4' energy: -77.229 flat angles C4'-P-C4' energy: -76.585 flat angles P-C4'-P energy: -22.511 tors. eta vs tors. theta energy: -7.926 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: 1, replica: 6 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1872.536608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.536608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.536608 (E_RNA) where: Base-Base interactions energy: -1316.174 where: short stacking energy: -542.366 Base-Backbone interact. energy: -3.150 local terms energy: -553.212137 where: bonds (distance) C4'-P energy: -96.463 bonds (distance) P-C4' energy: -104.521 flat angles C4'-P-C4' energy: -116.017 flat angles P-C4'-P energy: -83.947 tors. eta vs tors. theta energy: -152.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1744.568387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.568387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.568387 (E_RNA) where: Base-Base interactions energy: -1219.075 where: short stacking energy: -545.232 Base-Backbone interact. energy: -0.168 local terms energy: -525.325192 where: bonds (distance) C4'-P energy: -91.234 bonds (distance) P-C4' energy: -94.012 flat angles C4'-P-C4' energy: -111.096 flat angles P-C4'-P energy: -75.436 tors. eta vs tors. theta energy: -153.547 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: 3 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1677.715670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.715670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.715670 (E_RNA) where: Base-Base interactions energy: -1156.143 where: short stacking energy: -501.483 Base-Backbone interact. energy: -3.461 local terms energy: -518.111352 where: bonds (distance) C4'-P energy: -78.753 bonds (distance) P-C4' energy: -103.167 flat angles C4'-P-C4' energy: -111.875 flat angles P-C4'-P energy: -82.201 tors. eta vs tors. theta energy: -142.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -1617.213908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.213908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.213908 (E_RNA) where: Base-Base interactions energy: -1135.486 where: short stacking energy: -474.991 Base-Backbone interact. energy: -0.113 local terms energy: -481.614700 where: bonds (distance) C4'-P energy: -86.183 bonds (distance) P-C4' energy: -102.332 flat angles C4'-P-C4' energy: -97.762 flat angles P-C4'-P energy: -60.416 tors. eta vs tors. theta energy: -134.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -1472.087852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.087852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.087852 (E_RNA) where: Base-Base interactions energy: -1004.059 where: short stacking energy: -418.249 Base-Backbone interact. energy: -2.164 local terms energy: -465.865040 where: bonds (distance) C4'-P energy: -88.701 bonds (distance) P-C4' energy: -95.422 flat angles C4'-P-C4' energy: -98.947 flat angles P-C4'-P energy: -72.832 tors. eta vs tors. theta energy: -109.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -1445.750774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.750774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.750774 (E_RNA) where: Base-Base interactions energy: -1013.684 where: short stacking energy: -439.234 Base-Backbone interact. energy: -1.485 local terms energy: -430.581716 where: bonds (distance) C4'-P energy: -81.255 bonds (distance) P-C4' energy: -78.824 flat angles C4'-P-C4' energy: -96.400 flat angles P-C4'-P energy: -60.848 tors. eta vs tors. theta energy: -113.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -1210.002787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.002787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.002787 (E_RNA) where: Base-Base interactions energy: -803.676 where: short stacking energy: -351.444 Base-Backbone interact. energy: -0.629 local terms energy: -405.697635 where: bonds (distance) C4'-P energy: -86.318 bonds (distance) P-C4' energy: -84.872 flat angles C4'-P-C4' energy: -88.785 flat angles P-C4'-P energy: -58.235 tors. eta vs tors. theta energy: -87.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -1220.449825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1220.449825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1220.449825 (E_RNA) where: Base-Base interactions energy: -830.632 where: short stacking energy: -369.032 Base-Backbone interact. energy: -1.072 local terms energy: -388.745737 where: bonds (distance) C4'-P energy: -67.518 bonds (distance) P-C4' energy: -88.788 flat angles C4'-P-C4' energy: -96.248 flat angles P-C4'-P energy: -60.398 tors. eta vs tors. theta energy: -75.793 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: 10 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -770.445039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.445039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.445039 (E_RNA) where: Base-Base interactions energy: -452.927 where: short stacking energy: -234.330 Base-Backbone interact. energy: -2.986 local terms energy: -314.531705 where: bonds (distance) C4'-P energy: -78.990 bonds (distance) P-C4' energy: -83.560 flat angles C4'-P-C4' energy: -79.800 flat angles P-C4'-P energy: -45.627 tors. eta vs tors. theta energy: -26.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -629.746576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.746576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.746576 (E_RNA) where: Base-Base interactions energy: -370.761 where: short stacking energy: -188.352 Base-Backbone interact. energy: 0.319 local terms energy: -259.304770 where: bonds (distance) C4'-P energy: -66.328 bonds (distance) P-C4' energy: -77.312 flat angles C4'-P-C4' energy: -69.797 flat angles P-C4'-P energy: -42.810 tors. eta vs tors. theta energy: -3.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1861.306382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.306382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.306382 (E_RNA) where: Base-Base interactions energy: -1341.293 where: short stacking energy: -569.565 Base-Backbone interact. energy: -1.352 local terms energy: -518.661375 where: bonds (distance) C4'-P energy: -87.757 bonds (distance) P-C4' energy: -105.606 flat angles C4'-P-C4' energy: -101.461 flat angles P-C4'-P energy: -75.366 tors. eta vs tors. theta energy: -148.471 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: 5 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1753.774340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.774340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.774340 (E_RNA) where: Base-Base interactions energy: -1233.287 where: short stacking energy: -524.971 Base-Backbone interact. energy: -0.401 local terms energy: -520.086034 where: bonds (distance) C4'-P energy: -83.672 bonds (distance) P-C4' energy: -97.644 flat angles C4'-P-C4' energy: -114.835 flat angles P-C4'-P energy: -74.631 tors. eta vs tors. theta energy: -149.304 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: 224 Temperature: 1.000000 Total energy: -1647.340968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.340968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.340968 (E_RNA) where: Base-Base interactions energy: -1154.772 where: short stacking energy: -481.129 Base-Backbone interact. energy: -1.038 local terms energy: -491.531783 where: bonds (distance) C4'-P energy: -96.206 bonds (distance) P-C4' energy: -85.638 flat angles C4'-P-C4' energy: -106.438 flat angles P-C4'-P energy: -67.064 tors. eta vs tors. theta energy: -136.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -1579.973766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.973766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.973766 (E_RNA) where: Base-Base interactions energy: -1102.782 where: short stacking energy: -479.891 Base-Backbone interact. energy: -1.946 local terms energy: -475.245860 where: bonds (distance) C4'-P energy: -83.207 bonds (distance) P-C4' energy: -82.463 flat angles C4'-P-C4' energy: -108.426 flat angles P-C4'-P energy: -63.186 tors. eta vs tors. theta energy: -137.964 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: 7 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -1511.050601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.050601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.050601 (E_RNA) where: Base-Base interactions energy: -1067.650 where: short stacking energy: -448.255 Base-Backbone interact. energy: 0.666 local terms energy: -444.066702 where: bonds (distance) C4'-P energy: -84.380 bonds (distance) P-C4' energy: -89.360 flat angles C4'-P-C4' energy: -95.461 flat angles P-C4'-P energy: -60.439 tors. eta vs tors. theta energy: -114.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -1432.420658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.420658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.420658 (E_RNA) where: Base-Base interactions energy: -983.378 where: short stacking energy: -411.298 Base-Backbone interact. energy: -0.621 local terms energy: -448.421478 where: bonds (distance) C4'-P energy: -86.629 bonds (distance) P-C4' energy: -78.605 flat angles C4'-P-C4' energy: -104.310 flat angles P-C4'-P energy: -67.537 tors. eta vs tors. theta energy: -111.340 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: 224 Temperature: 1.200000 Total energy: -1202.758269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.758269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.758269 (E_RNA) where: Base-Base interactions energy: -797.305 where: short stacking energy: -335.050 Base-Backbone interact. energy: -0.534 local terms energy: -404.919927 where: bonds (distance) C4'-P energy: -85.793 bonds (distance) P-C4' energy: -94.026 flat angles C4'-P-C4' energy: -88.176 flat angles P-C4'-P energy: -56.193 tors. eta vs tors. theta energy: -80.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -1157.257072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.257072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.257072 (E_RNA) where: Base-Base interactions energy: -798.559 where: short stacking energy: -347.944 Base-Backbone interact. energy: 2.530 local terms energy: -361.228430 where: bonds (distance) C4'-P energy: -60.376 bonds (distance) P-C4' energy: -73.431 flat angles C4'-P-C4' energy: -92.727 flat angles P-C4'-P energy: -58.925 tors. eta vs tors. theta energy: -75.769 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: 9, replica: 10 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -796.113193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.113193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.113193 (E_RNA) where: Base-Base interactions energy: -467.679 where: short stacking energy: -214.722 Base-Backbone interact. energy: -1.645 local terms energy: -326.789120 where: bonds (distance) C4'-P energy: -77.656 bonds (distance) P-C4' energy: -83.748 flat angles C4'-P-C4' energy: -84.744 flat angles P-C4'-P energy: -51.106 tors. eta vs tors. theta energy: -29.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -585.243886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.243886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.243886 (E_RNA) where: Base-Base interactions energy: -291.771 where: short stacking energy: -155.676 Base-Backbone interact. energy: -1.974 local terms energy: -291.498826 where: bonds (distance) C4'-P energy: -70.642 bonds (distance) P-C4' energy: -102.426 flat angles C4'-P-C4' energy: -84.541 flat angles P-C4'-P energy: -28.283 tors. eta vs tors. theta energy: -5.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1873.937839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.937839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.937839 (E_RNA) where: Base-Base interactions energy: -1333.057 where: short stacking energy: -557.972 Base-Backbone interact. energy: -0.774 local terms energy: -540.107003 where: bonds (distance) C4'-P energy: -103.914 bonds (distance) P-C4' energy: -94.541 flat angles C4'-P-C4' energy: -112.036 flat angles P-C4'-P energy: -77.596 tors. eta vs tors. theta energy: -152.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1751.106594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.106594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.106594 (E_RNA) where: Base-Base interactions energy: -1235.195 where: short stacking energy: -514.990 Base-Backbone interact. energy: -2.883 local terms energy: -513.028718 where: bonds (distance) C4'-P energy: -104.590 bonds (distance) P-C4' energy: -94.877 flat angles C4'-P-C4' energy: -105.048 flat angles P-C4'-P energy: -69.081 tors. eta vs tors. theta energy: -139.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1669.548007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.548007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.548007 (E_RNA) where: Base-Base interactions energy: -1175.000 where: short stacking energy: -500.604 Base-Backbone interact. energy: 1.757 local terms energy: -496.304321 where: bonds (distance) C4'-P energy: -88.840 bonds (distance) P-C4' energy: -94.006 flat angles C4'-P-C4' energy: -97.232 flat angles P-C4'-P energy: -66.832 tors. eta vs tors. theta energy: -149.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -1582.164411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1582.164411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1582.164411 (E_RNA) where: Base-Base interactions energy: -1088.346 where: short stacking energy: -464.914 Base-Backbone interact. energy: 0.901 local terms energy: -494.719392 where: bonds (distance) C4'-P energy: -79.617 bonds (distance) P-C4' energy: -99.665 flat angles C4'-P-C4' energy: -100.823 flat angles P-C4'-P energy: -71.827 tors. eta vs tors. theta energy: -142.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -1510.185035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.185035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.185035 (E_RNA) where: Base-Base interactions energy: -1059.110 where: short stacking energy: -445.500 Base-Backbone interact. energy: 0.891 local terms energy: -451.966188 where: bonds (distance) C4'-P energy: -76.778 bonds (distance) P-C4' energy: -93.519 flat angles C4'-P-C4' energy: -102.675 flat angles P-C4'-P energy: -61.271 tors. eta vs tors. theta energy: -117.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -1379.261772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.261772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.261772 (E_RNA) where: Base-Base interactions energy: -965.441 where: short stacking energy: -403.155 Base-Backbone interact. energy: -2.350 local terms energy: -411.470334 where: bonds (distance) C4'-P energy: -81.516 bonds (distance) P-C4' energy: -83.759 flat angles C4'-P-C4' energy: -87.153 flat angles P-C4'-P energy: -54.220 tors. eta vs tors. theta energy: -104.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -1217.027954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.027954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.027954 (E_RNA) where: Base-Base interactions energy: -828.312 where: short stacking energy: -348.300 Base-Backbone interact. energy: -1.092 local terms energy: -387.623860 where: bonds (distance) C4'-P energy: -76.257 bonds (distance) P-C4' energy: -94.204 flat angles C4'-P-C4' energy: -79.076 flat angles P-C4'-P energy: -55.614 tors. eta vs tors. theta energy: -82.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -1157.583756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.583756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.583756 (E_RNA) where: Base-Base interactions energy: -776.160 where: short stacking energy: -349.304 Base-Backbone interact. energy: -1.175 local terms energy: -380.248299 where: bonds (distance) C4'-P energy: -72.348 bonds (distance) P-C4' energy: -95.403 flat angles C4'-P-C4' energy: -82.602 flat angles P-C4'-P energy: -53.720 tors. eta vs tors. theta energy: -76.176 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: 10 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -772.172818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.172818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.172818 (E_RNA) where: Base-Base interactions energy: -475.487 where: short stacking energy: -242.778 Base-Backbone interact. energy: 1.581 local terms energy: -298.267008 where: bonds (distance) C4'-P energy: -91.415 bonds (distance) P-C4' energy: -78.229 flat angles C4'-P-C4' energy: -58.007 flat angles P-C4'-P energy: -36.765 tors. eta vs tors. theta energy: -33.851 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: 10, replica: 2 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -559.145511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.145511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.145511 (E_RNA) where: Base-Base interactions energy: -322.645 where: short stacking energy: -168.529 Base-Backbone interact. energy: 7.490 local terms energy: -243.990742 where: bonds (distance) C4'-P energy: -75.311 bonds (distance) P-C4' energy: -75.106 flat angles C4'-P-C4' energy: -75.437 flat angles P-C4'-P energy: -25.949 tors. eta vs tors. theta energy: 7.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1855.207993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.207993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.207993 (E_RNA) where: Base-Base interactions energy: -1310.717 where: short stacking energy: -546.909 Base-Backbone interact. energy: -2.543 local terms energy: -541.947997 where: bonds (distance) C4'-P energy: -100.125 bonds (distance) P-C4' energy: -99.357 flat angles C4'-P-C4' energy: -112.403 flat angles P-C4'-P energy: -80.948 tors. eta vs tors. theta energy: -149.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1776.575917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.575917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.575917 (E_RNA) where: Base-Base interactions energy: -1257.697 where: short stacking energy: -541.486 Base-Backbone interact. energy: -2.944 local terms energy: -515.934578 where: bonds (distance) C4'-P energy: -94.024 bonds (distance) P-C4' energy: -95.697 flat angles C4'-P-C4' energy: -114.233 flat angles P-C4'-P energy: -71.244 tors. eta vs tors. theta energy: -140.736 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: 3 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1681.491440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.491440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.491440 (E_RNA) where: Base-Base interactions energy: -1180.633 where: short stacking energy: -502.520 Base-Backbone interact. energy: 2.213 local terms energy: -503.071856 where: bonds (distance) C4'-P energy: -90.327 bonds (distance) P-C4' energy: -100.501 flat angles C4'-P-C4' energy: -99.745 flat angles P-C4'-P energy: -72.780 tors. eta vs tors. theta energy: -139.719 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: 4, replica: 4 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -1547.550779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.550779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.550779 (E_RNA) where: Base-Base interactions energy: -1088.815 where: short stacking energy: -471.558 Base-Backbone interact. energy: -0.473 local terms energy: -458.262510 where: bonds (distance) C4'-P energy: -94.216 bonds (distance) P-C4' energy: -71.687 flat angles C4'-P-C4' energy: -104.193 flat angles P-C4'-P energy: -59.936 tors. eta vs tors. theta energy: -128.231 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: 7 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -1495.015973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.015973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.015973 (E_RNA) where: Base-Base interactions energy: -1034.667 where: short stacking energy: -422.021 Base-Backbone interact. energy: 0.060 local terms energy: -460.408928 where: bonds (distance) C4'-P energy: -90.805 bonds (distance) P-C4' energy: -101.408 flat angles C4'-P-C4' energy: -99.580 flat angles P-C4'-P energy: -62.950 tors. eta vs tors. theta energy: -105.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -1333.378031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.378031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.378031 (E_RNA) where: Base-Base interactions energy: -904.164 where: short stacking energy: -389.441 Base-Backbone interact. energy: -1.211 local terms energy: -428.003233 where: bonds (distance) C4'-P energy: -80.403 bonds (distance) P-C4' energy: -93.053 flat angles C4'-P-C4' energy: -83.120 flat angles P-C4'-P energy: -64.752 tors. eta vs tors. theta energy: -106.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -1266.123643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.123643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.123643 (E_RNA) where: Base-Base interactions energy: -878.469 where: short stacking energy: -348.169 Base-Backbone interact. energy: 0.140 local terms energy: -387.794732 where: bonds (distance) C4'-P energy: -82.350 bonds (distance) P-C4' energy: -79.248 flat angles C4'-P-C4' energy: -99.237 flat angles P-C4'-P energy: -45.832 tors. eta vs tors. theta energy: -81.128 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: 1 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -1123.909636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.909636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.909636 (E_RNA) where: Base-Base interactions energy: -745.485 where: short stacking energy: -332.441 Base-Backbone interact. energy: -0.742 local terms energy: -377.683450 where: bonds (distance) C4'-P energy: -86.785 bonds (distance) P-C4' energy: -82.822 flat angles C4'-P-C4' energy: -73.019 flat angles P-C4'-P energy: -66.038 tors. eta vs tors. theta energy: -69.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -770.323678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.323678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.323678 (E_RNA) where: Base-Base interactions energy: -458.373 where: short stacking energy: -223.606 Base-Backbone interact. energy: -1.165 local terms energy: -310.786003 where: bonds (distance) C4'-P energy: -82.846 bonds (distance) P-C4' energy: -82.499 flat angles C4'-P-C4' energy: -69.667 flat angles P-C4'-P energy: -45.789 tors. eta vs tors. theta energy: -29.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -591.016289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.016289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.016289 (E_RNA) where: Base-Base interactions energy: -297.797 where: short stacking energy: -144.112 Base-Backbone interact. energy: -1.941 local terms energy: -291.278101 where: bonds (distance) C4'-P energy: -74.410 bonds (distance) P-C4' energy: -81.777 flat angles C4'-P-C4' energy: -88.538 flat angles P-C4'-P energy: -40.614 tors. eta vs tors. theta energy: -5.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1893.626832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.626832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.626832 (E_RNA) where: Base-Base interactions energy: -1359.218 where: short stacking energy: -570.895 Base-Backbone interact. energy: -2.336 local terms energy: -532.072650 where: bonds (distance) C4'-P energy: -92.819 bonds (distance) P-C4' energy: -93.612 flat angles C4'-P-C4' energy: -108.697 flat angles P-C4'-P energy: -77.427 tors. eta vs tors. theta energy: -159.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1796.187071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1796.187071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1796.187071 (E_RNA) where: Base-Base interactions energy: -1277.874 where: short stacking energy: -546.992 Base-Backbone interact. energy: 1.744 local terms energy: -520.056207 where: bonds (distance) C4'-P energy: -87.498 bonds (distance) P-C4' energy: -94.108 flat angles C4'-P-C4' energy: -111.679 flat angles P-C4'-P energy: -79.922 tors. eta vs tors. theta energy: -146.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1676.583303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.583303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.583303 (E_RNA) where: Base-Base interactions energy: -1170.825 where: short stacking energy: -506.185 Base-Backbone interact. energy: -3.195 local terms energy: -502.563680 where: bonds (distance) C4'-P energy: -80.325 bonds (distance) P-C4' energy: -104.260 flat angles C4'-P-C4' energy: -103.469 flat angles P-C4'-P energy: -67.183 tors. eta vs tors. theta energy: -147.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -1540.669894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.669894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.669894 (E_RNA) where: Base-Base interactions energy: -1086.912 where: short stacking energy: -447.143 Base-Backbone interact. energy: -2.811 local terms energy: -450.946903 where: bonds (distance) C4'-P energy: -85.639 bonds (distance) P-C4' energy: -87.132 flat angles C4'-P-C4' energy: -99.425 flat angles P-C4'-P energy: -68.038 tors. eta vs tors. theta energy: -110.712 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: 5, replica: 4 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -1553.247982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.247982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.247982 (E_RNA) where: Base-Base interactions energy: -1093.786 where: short stacking energy: -466.215 Base-Backbone interact. energy: -1.602 local terms energy: -457.859810 where: bonds (distance) C4'-P energy: -78.690 bonds (distance) P-C4' energy: -94.917 flat angles C4'-P-C4' energy: -102.438 flat angles P-C4'-P energy: -58.585 tors. eta vs tors. theta energy: -123.229 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: 9 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -1372.782501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.782501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.782501 (E_RNA) where: Base-Base interactions energy: -937.299 where: short stacking energy: -393.438 Base-Backbone interact. energy: -2.075 local terms energy: -433.409130 where: bonds (distance) C4'-P energy: -76.571 bonds (distance) P-C4' energy: -90.344 flat angles C4'-P-C4' energy: -105.437 flat angles P-C4'-P energy: -64.859 tors. eta vs tors. theta energy: -96.199 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: 8 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -1256.762708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.762708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.762708 (E_RNA) where: Base-Base interactions energy: -856.150 where: short stacking energy: -351.010 Base-Backbone interact. energy: -3.010 local terms energy: -397.602905 where: bonds (distance) C4'-P energy: -96.787 bonds (distance) P-C4' energy: -78.682 flat angles C4'-P-C4' energy: -95.692 flat angles P-C4'-P energy: -45.669 tors. eta vs tors. theta energy: -80.774 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: 1 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -1111.389810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.389810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.389810 (E_RNA) where: Base-Base interactions energy: -739.100 where: short stacking energy: -334.168 Base-Backbone interact. energy: -0.511 local terms energy: -371.779435 where: bonds (distance) C4'-P energy: -74.314 bonds (distance) P-C4' energy: -86.620 flat angles C4'-P-C4' energy: -97.889 flat angles P-C4'-P energy: -53.076 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: 9, replica: 10 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -795.822398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.822398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.822398 (E_RNA) where: Base-Base interactions energy: -477.723 where: short stacking energy: -240.821 Base-Backbone interact. energy: 3.848 local terms energy: -321.946976 where: bonds (distance) C4'-P energy: -79.362 bonds (distance) P-C4' energy: -84.631 flat angles C4'-P-C4' energy: -84.648 flat angles P-C4'-P energy: -42.801 tors. eta vs tors. theta energy: -30.505 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: 2 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -639.857091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.857091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.857091 (E_RNA) where: Base-Base interactions energy: -348.007 where: short stacking energy: -181.644 Base-Backbone interact. energy: -0.286 local terms energy: -291.563352 where: bonds (distance) C4'-P energy: -76.227 bonds (distance) P-C4' energy: -69.619 flat angles C4'-P-C4' energy: -76.916 flat angles P-C4'-P energy: -53.954 tors. eta vs tors. theta energy: -14.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1877.371011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.371011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.371011 (E_RNA) where: Base-Base interactions energy: -1348.943 where: short stacking energy: -575.592 Base-Backbone interact. energy: -1.428 local terms energy: -526.999699 where: bonds (distance) C4'-P energy: -90.646 bonds (distance) P-C4' energy: -100.376 flat angles C4'-P-C4' energy: -108.882 flat angles P-C4'-P energy: -76.924 tors. eta vs tors. theta energy: -150.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1798.628325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.628325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.628325 (E_RNA) where: Base-Base interactions energy: -1254.756 where: short stacking energy: -526.370 Base-Backbone interact. energy: 2.111 local terms energy: -545.982578 where: bonds (distance) C4'-P energy: -95.947 bonds (distance) P-C4' energy: -106.137 flat angles C4'-P-C4' energy: -116.388 flat angles P-C4'-P energy: -79.340 tors. eta vs tors. theta energy: -148.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1671.073308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1671.073308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1671.073308 (E_RNA) where: Base-Base interactions energy: -1156.651 where: short stacking energy: -510.787 Base-Backbone interact. energy: -0.833 local terms energy: -513.590084 where: bonds (distance) C4'-P energy: -98.333 bonds (distance) P-C4' energy: -93.308 flat angles C4'-P-C4' energy: -109.599 flat angles P-C4'-P energy: -72.460 tors. eta vs tors. theta energy: -139.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -1566.631475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.631475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.631475 (E_RNA) where: Base-Base interactions energy: -1090.003 where: short stacking energy: -440.646 Base-Backbone interact. energy: -3.757 local terms energy: -472.871636 where: bonds (distance) C4'-P energy: -87.761 bonds (distance) P-C4' energy: -98.070 flat angles C4'-P-C4' energy: -95.625 flat angles P-C4'-P energy: -77.256 tors. eta vs tors. theta energy: -114.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -1372.006201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.006201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.006201 (E_RNA) where: Base-Base interactions energy: -933.774 where: short stacking energy: -408.527 Base-Backbone interact. energy: -2.850 local terms energy: -435.382903 where: bonds (distance) C4'-P energy: -83.300 bonds (distance) P-C4' energy: -79.548 flat angles C4'-P-C4' energy: -108.606 flat angles P-C4'-P energy: -58.894 tors. eta vs tors. theta energy: -105.035 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: 6, replica: 4 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -1495.924045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.924045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.924045 (E_RNA) where: Base-Base interactions energy: -1033.844 where: short stacking energy: -447.872 Base-Backbone interact. energy: -0.038 local terms energy: -462.042647 where: bonds (distance) C4'-P energy: -84.826 bonds (distance) P-C4' energy: -74.748 flat angles C4'-P-C4' energy: -100.216 flat angles P-C4'-P energy: -67.438 tors. eta vs tors. theta energy: -134.814 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: 7, replica: 8 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -1302.592701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.592701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.592701 (E_RNA) where: Base-Base interactions energy: -887.984 where: short stacking energy: -387.371 Base-Backbone interact. energy: -2.543 local terms energy: -412.064828 where: bonds (distance) C4'-P energy: -77.940 bonds (distance) P-C4' energy: -94.141 flat angles C4'-P-C4' energy: -97.954 flat angles P-C4'-P energy: -50.177 tors. eta vs tors. theta energy: -91.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -1108.670833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.670833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.670833 (E_RNA) where: Base-Base interactions energy: -746.531 where: short stacking energy: -321.052 Base-Backbone interact. energy: -2.013 local terms energy: -360.127440 where: bonds (distance) C4'-P energy: -75.083 bonds (distance) P-C4' energy: -86.453 flat angles C4'-P-C4' energy: -78.855 flat angles P-C4'-P energy: -52.095 tors. eta vs tors. theta energy: -67.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -873.164239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.164239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.164239 (E_RNA) where: Base-Base interactions energy: -528.667 where: short stacking energy: -260.200 Base-Backbone interact. energy: -2.302 local terms energy: -342.194830 where: bonds (distance) C4'-P energy: -83.172 bonds (distance) P-C4' energy: -88.632 flat angles C4'-P-C4' energy: -77.855 flat angles P-C4'-P energy: -42.857 tors. eta vs tors. theta energy: -49.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -628.576656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.576656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.576656 (E_RNA) where: Base-Base interactions energy: -328.651 where: short stacking energy: -177.724 Base-Backbone interact. energy: -1.196 local terms energy: -298.729360 where: bonds (distance) C4'-P energy: -79.551 bonds (distance) P-C4' energy: -86.429 flat angles C4'-P-C4' energy: -70.061 flat angles P-C4'-P energy: -41.740 tors. eta vs tors. theta energy: -20.948 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: 6 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1907.550275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1907.550275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1907.550275 (E_RNA) where: Base-Base interactions energy: -1354.736 where: short stacking energy: -547.201 Base-Backbone interact. energy: -1.875 local terms energy: -550.939530 where: bonds (distance) C4'-P energy: -101.431 bonds (distance) P-C4' energy: -100.889 flat angles C4'-P-C4' energy: -116.932 flat angles P-C4'-P energy: -82.218 tors. eta vs tors. theta energy: -149.469 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: 2, replica: 5 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1794.321381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.321381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.321381 (E_RNA) where: Base-Base interactions energy: -1269.795 where: short stacking energy: -536.238 Base-Backbone interact. energy: -1.698 local terms energy: -522.828173 where: bonds (distance) C4'-P energy: -78.495 bonds (distance) P-C4' energy: -97.115 flat angles C4'-P-C4' energy: -112.281 flat angles P-C4'-P energy: -84.545 tors. eta vs tors. theta energy: -150.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1652.987662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.987662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.987662 (E_RNA) where: Base-Base interactions energy: -1136.735 where: short stacking energy: -522.039 Base-Backbone interact. energy: -1.669 local terms energy: -514.584082 where: bonds (distance) C4'-P energy: -89.623 bonds (distance) P-C4' energy: -101.679 flat angles C4'-P-C4' energy: -100.559 flat angles P-C4'-P energy: -75.418 tors. eta vs tors. theta energy: -147.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1568.006098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.006098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.006098 (E_RNA) where: Base-Base interactions energy: -1101.472 where: short stacking energy: -459.772 Base-Backbone interact. energy: -1.403 local terms energy: -465.130287 where: bonds (distance) C4'-P energy: -74.896 bonds (distance) P-C4' energy: -87.756 flat angles C4'-P-C4' energy: -102.244 flat angles P-C4'-P energy: -67.642 tors. eta vs tors. theta energy: -132.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -1378.208654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.208654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.208654 (E_RNA) where: Base-Base interactions energy: -914.793 where: short stacking energy: -409.791 Base-Backbone interact. energy: -1.181 local terms energy: -462.234208 where: bonds (distance) C4'-P energy: -98.424 bonds (distance) P-C4' energy: -98.753 flat angles C4'-P-C4' energy: -89.900 flat angles P-C4'-P energy: -64.829 tors. eta vs tors. theta energy: -110.329 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: 6, replica: 4 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -1507.235771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.235771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.235771 (E_RNA) where: Base-Base interactions energy: -1037.387 where: short stacking energy: -453.960 Base-Backbone interact. energy: 3.661 local terms energy: -473.510094 where: bonds (distance) C4'-P energy: -97.082 bonds (distance) P-C4' energy: -99.631 flat angles C4'-P-C4' energy: -93.528 flat angles P-C4'-P energy: -58.941 tors. eta vs tors. theta energy: -124.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -1255.259419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.259419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.259419 (E_RNA) where: Base-Base interactions energy: -843.461 where: short stacking energy: -355.774 Base-Backbone interact. energy: 1.111 local terms energy: -412.909351 where: bonds (distance) C4'-P energy: -83.974 bonds (distance) P-C4' energy: -90.802 flat angles C4'-P-C4' energy: -99.104 flat angles P-C4'-P energy: -51.895 tors. eta vs tors. theta energy: -87.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -1150.725158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.725158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.725158 (E_RNA) where: Base-Base interactions energy: -751.567 where: short stacking energy: -335.446 Base-Backbone interact. energy: -1.457 local terms energy: -397.701762 where: bonds (distance) C4'-P energy: -85.001 bonds (distance) P-C4' energy: -99.243 flat angles C4'-P-C4' energy: -79.438 flat angles P-C4'-P energy: -52.448 tors. eta vs tors. theta energy: -81.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -851.435831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.435831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.435831 (E_RNA) where: Base-Base interactions energy: -509.552 where: short stacking energy: -241.022 Base-Backbone interact. energy: 3.489 local terms energy: -345.373439 where: bonds (distance) C4'-P energy: -85.192 bonds (distance) P-C4' energy: -80.378 flat angles C4'-P-C4' energy: -80.791 flat angles P-C4'-P energy: -56.794 tors. eta vs tors. theta energy: -42.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -621.420103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.420103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.420103 (E_RNA) where: Base-Base interactions energy: -341.647 where: short stacking energy: -155.376 Base-Backbone interact. energy: -2.740 local terms energy: -277.033530 where: bonds (distance) C4'-P energy: -84.320 bonds (distance) P-C4' energy: -74.970 flat angles C4'-P-C4' energy: -62.108 flat angles P-C4'-P energy: -58.689 tors. eta vs tors. theta energy: 3.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -1863.896672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.896672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.896672 (E_RNA) where: Base-Base interactions energy: -1326.807 where: short stacking energy: -552.639 Base-Backbone interact. energy: -0.695 local terms energy: -536.394464 where: bonds (distance) C4'-P energy: -89.890 bonds (distance) P-C4' energy: -106.941 flat angles C4'-P-C4' energy: -109.421 flat angles P-C4'-P energy: -76.417 tors. eta vs tors. theta energy: -153.725 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: 5 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1780.192399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.192399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.192399 (E_RNA) where: Base-Base interactions energy: -1240.059 where: short stacking energy: -550.072 Base-Backbone interact. energy: -1.418 local terms energy: -538.715779 where: bonds (distance) C4'-P energy: -86.998 bonds (distance) P-C4' energy: -103.785 flat angles C4'-P-C4' energy: -112.847 flat angles P-C4'-P energy: -78.613 tors. eta vs tors. theta energy: -156.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1683.267925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.267925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.267925 (E_RNA) where: Base-Base interactions energy: -1150.036 where: short stacking energy: -496.715 Base-Backbone interact. energy: -1.554 local terms energy: -531.678137 where: bonds (distance) C4'-P energy: -94.918 bonds (distance) P-C4' energy: -99.123 flat angles C4'-P-C4' energy: -112.270 flat angles P-C4'-P energy: -71.544 tors. eta vs tors. theta energy: -153.823 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: 230 Temperature: 1.050000 Total energy: -1545.324301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.324301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.324301 (E_RNA) where: Base-Base interactions energy: -1077.334 where: short stacking energy: -458.206 Base-Backbone interact. energy: 0.817 local terms energy: -468.807897 where: bonds (distance) C4'-P energy: -93.648 bonds (distance) P-C4' energy: -92.950 flat angles C4'-P-C4' energy: -97.207 flat angles P-C4'-P energy: -61.287 tors. eta vs tors. theta energy: -123.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -1581.031159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.031159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.031159 (E_RNA) where: Base-Base interactions energy: -1091.295 where: short stacking energy: -475.710 Base-Backbone interact. energy: -1.702 local terms energy: -488.033713 where: bonds (distance) C4'-P energy: -91.121 bonds (distance) P-C4' energy: -89.547 flat angles C4'-P-C4' energy: -95.919 flat angles P-C4'-P energy: -68.651 tors. eta vs tors. theta energy: -142.795 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: 9 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -1348.656163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.656163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.656163 (E_RNA) where: Base-Base interactions energy: -906.120 where: short stacking energy: -407.290 Base-Backbone interact. energy: 1.998 local terms energy: -444.533972 where: bonds (distance) C4'-P energy: -87.676 bonds (distance) P-C4' energy: -93.869 flat angles C4'-P-C4' energy: -105.018 flat angles P-C4'-P energy: -68.587 tors. eta vs tors. theta energy: -89.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -1238.805719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.805719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.805719 (E_RNA) where: Base-Base interactions energy: -835.799 where: short stacking energy: -350.350 Base-Backbone interact. energy: -0.250 local terms energy: -402.756685 where: bonds (distance) C4'-P energy: -78.892 bonds (distance) P-C4' energy: -76.992 flat angles C4'-P-C4' energy: -92.686 flat angles P-C4'-P energy: -69.675 tors. eta vs tors. theta energy: -84.511 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: 1 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -1130.318453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.318453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.318453 (E_RNA) where: Base-Base interactions energy: -744.598 where: short stacking energy: -293.462 Base-Backbone interact. energy: -0.208 local terms energy: -385.512901 where: bonds (distance) C4'-P energy: -85.716 bonds (distance) P-C4' energy: -82.536 flat angles C4'-P-C4' energy: -93.526 flat angles P-C4'-P energy: -55.756 tors. eta vs tors. theta energy: -67.978 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: 10 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -843.407879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.407879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.407879 (E_RNA) where: Base-Base interactions energy: -510.610 where: short stacking energy: -254.743 Base-Backbone interact. energy: 1.612 local terms energy: -334.410105 where: bonds (distance) C4'-P energy: -76.579 bonds (distance) P-C4' energy: -77.623 flat angles C4'-P-C4' energy: -92.989 flat angles P-C4'-P energy: -40.990 tors. eta vs tors. theta energy: -46.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -652.330196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.330196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.330196 (E_RNA) where: Base-Base interactions energy: -379.286 where: short stacking energy: -183.062 Base-Backbone interact. energy: -2.455 local terms energy: -270.589039 where: bonds (distance) C4'-P energy: -75.778 bonds (distance) P-C4' energy: -81.940 flat angles C4'-P-C4' energy: -73.802 flat angles P-C4'-P energy: -36.288 tors. eta vs tors. theta energy: -2.780 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: 6 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1889.380011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.380011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.380011 (E_RNA) where: Base-Base interactions energy: -1348.609 where: short stacking energy: -569.890 Base-Backbone interact. energy: -1.918 local terms energy: -538.852589 where: bonds (distance) C4'-P energy: -99.623 bonds (distance) P-C4' energy: -87.317 flat angles C4'-P-C4' energy: -118.829 flat angles P-C4'-P energy: -81.054 tors. eta vs tors. theta energy: -152.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1765.374783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.374783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.374783 (E_RNA) where: Base-Base interactions energy: -1249.262 where: short stacking energy: -541.688 Base-Backbone interact. energy: -3.149 local terms energy: -512.963540 where: bonds (distance) C4'-P energy: -97.204 bonds (distance) P-C4' energy: -88.041 flat angles C4'-P-C4' energy: -109.874 flat angles P-C4'-P energy: -60.218 tors. eta vs tors. theta energy: -157.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1658.879609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.879609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.879609 (E_RNA) where: Base-Base interactions energy: -1142.712 where: short stacking energy: -499.720 Base-Backbone interact. energy: -1.627 local terms energy: -514.540518 where: bonds (distance) C4'-P energy: -87.391 bonds (distance) P-C4' energy: -96.416 flat angles C4'-P-C4' energy: -104.847 flat angles P-C4'-P energy: -78.864 tors. eta vs tors. theta energy: -147.023 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: 4 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -1623.684541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.684541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.684541 (E_RNA) where: Base-Base interactions energy: -1132.682 where: short stacking energy: -476.514 Base-Backbone interact. energy: -1.186 local terms energy: -489.816757 where: bonds (distance) C4'-P energy: -89.091 bonds (distance) P-C4' energy: -88.657 flat angles C4'-P-C4' energy: -103.822 flat angles P-C4'-P energy: -70.200 tors. eta vs tors. theta energy: -138.046 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: 231 Temperature: 1.100000 Total energy: -1531.576419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.576419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.576419 (E_RNA) where: Base-Base interactions energy: -1069.052 where: short stacking energy: -452.586 Base-Backbone interact. energy: -3.546 local terms energy: -458.978465 where: bonds (distance) C4'-P energy: -74.758 bonds (distance) P-C4' energy: -94.331 flat angles C4'-P-C4' energy: -93.015 flat angles P-C4'-P energy: -76.427 tors. eta vs tors. theta energy: -120.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -1370.774165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.774165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.774165 (E_RNA) where: Base-Base interactions energy: -931.079 where: short stacking energy: -411.176 Base-Backbone interact. energy: -3.944 local terms energy: -435.750786 where: bonds (distance) C4'-P energy: -80.535 bonds (distance) P-C4' energy: -98.556 flat angles C4'-P-C4' energy: -91.415 flat angles P-C4'-P energy: -65.385 tors. eta vs tors. theta energy: -99.860 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: 231 Temperature: 1.200000 Total energy: -1310.751569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.751569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.751569 (E_RNA) where: Base-Base interactions energy: -893.559 where: short stacking energy: -392.460 Base-Backbone interact. energy: -0.793 local terms energy: -416.398881 where: bonds (distance) C4'-P energy: -89.237 bonds (distance) P-C4' energy: -89.873 flat angles C4'-P-C4' energy: -96.319 flat angles P-C4'-P energy: -52.226 tors. eta vs tors. theta energy: -88.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -1158.288705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.288705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.288705 (E_RNA) where: Base-Base interactions energy: -751.440 where: short stacking energy: -343.559 Base-Backbone interact. energy: 0.516 local terms energy: -407.364385 where: bonds (distance) C4'-P energy: -85.872 bonds (distance) P-C4' energy: -85.860 flat angles C4'-P-C4' energy: -85.674 flat angles P-C4'-P energy: -75.606 tors. eta vs tors. theta energy: -74.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -846.459100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.459100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.459100 (E_RNA) where: Base-Base interactions energy: -526.429 where: short stacking energy: -260.690 Base-Backbone interact. energy: -1.698 local terms energy: -318.332350 where: bonds (distance) C4'-P energy: -79.010 bonds (distance) P-C4' energy: -73.185 flat angles C4'-P-C4' energy: -66.379 flat angles P-C4'-P energy: -56.858 tors. eta vs tors. theta energy: -42.901 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: 2 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -650.165813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.165813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.165813 (E_RNA) where: Base-Base interactions energy: -357.467 where: short stacking energy: -178.905 Base-Backbone interact. energy: -2.063 local terms energy: -290.635740 where: bonds (distance) C4'-P energy: -92.546 bonds (distance) P-C4' energy: -92.166 flat angles C4'-P-C4' energy: -59.913 flat angles P-C4'-P energy: -41.693 tors. eta vs tors. theta energy: -4.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1861.140415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.140415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.140415 (E_RNA) where: Base-Base interactions energy: -1324.402 where: short stacking energy: -544.208 Base-Backbone interact. energy: -1.491 local terms energy: -535.246973 where: bonds (distance) C4'-P energy: -97.018 bonds (distance) P-C4' energy: -100.089 flat angles C4'-P-C4' energy: -105.811 flat angles P-C4'-P energy: -79.505 tors. eta vs tors. theta energy: -152.824 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: 2, replica: 5 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1761.858901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.858901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.858901 (E_RNA) where: Base-Base interactions energy: -1232.269 where: short stacking energy: -520.918 Base-Backbone interact. energy: -5.960 local terms energy: -523.630095 where: bonds (distance) C4'-P energy: -92.238 bonds (distance) P-C4' energy: -89.946 flat angles C4'-P-C4' energy: -111.246 flat angles P-C4'-P energy: -77.534 tors. eta vs tors. theta energy: -152.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1658.274876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1658.274876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1658.274876 (E_RNA) where: Base-Base interactions energy: -1150.433 where: short stacking energy: -506.113 Base-Backbone interact. energy: -3.395 local terms energy: -504.446697 where: bonds (distance) C4'-P energy: -95.382 bonds (distance) P-C4' energy: -101.632 flat angles C4'-P-C4' energy: -104.210 flat angles P-C4'-P energy: -66.017 tors. eta vs tors. theta energy: -137.205 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: 4, replica: 4 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -1595.385216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.385216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.385216 (E_RNA) where: Base-Base interactions energy: -1115.686 where: short stacking energy: -488.985 Base-Backbone interact. energy: -1.235 local terms energy: -478.463968 where: bonds (distance) C4'-P energy: -75.228 bonds (distance) P-C4' energy: -103.115 flat angles C4'-P-C4' energy: -107.972 flat angles P-C4'-P energy: -61.106 tors. eta vs tors. theta energy: -131.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -1487.877504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.877504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.877504 (E_RNA) where: Base-Base interactions energy: -1031.769 where: short stacking energy: -414.124 Base-Backbone interact. energy: -1.414 local terms energy: -454.694816 where: bonds (distance) C4'-P energy: -82.263 bonds (distance) P-C4' energy: -93.448 flat angles C4'-P-C4' energy: -102.964 flat angles P-C4'-P energy: -64.412 tors. eta vs tors. theta energy: -111.608 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: 9 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -1389.079701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.079701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.079701 (E_RNA) where: Base-Base interactions energy: -939.793 where: short stacking energy: -398.841 Base-Backbone interact. energy: 2.273 local terms energy: -451.560066 where: bonds (distance) C4'-P energy: -88.369 bonds (distance) P-C4' energy: -98.721 flat angles C4'-P-C4' energy: -100.111 flat angles P-C4'-P energy: -67.194 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: 7, replica: 8 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -1295.745768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.745768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.745768 (E_RNA) where: Base-Base interactions energy: -880.111 where: short stacking energy: -381.292 Base-Backbone interact. energy: 3.375 local terms energy: -419.009510 where: bonds (distance) C4'-P energy: -95.417 bonds (distance) P-C4' energy: -78.112 flat angles C4'-P-C4' energy: -91.636 flat angles P-C4'-P energy: -52.113 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: 8, replica: 1 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -1085.144427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.144427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.144427 (E_RNA) where: Base-Base interactions energy: -709.890 where: short stacking energy: -307.616 Base-Backbone interact. energy: -2.290 local terms energy: -372.963740 where: bonds (distance) C4'-P energy: -91.246 bonds (distance) P-C4' energy: -84.638 flat angles C4'-P-C4' energy: -73.497 flat angles P-C4'-P energy: -55.810 tors. eta vs tors. theta energy: -67.773 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: 10 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -882.560853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.560853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.560853 (E_RNA) where: Base-Base interactions energy: -547.740 where: short stacking energy: -254.634 Base-Backbone interact. energy: -2.948 local terms energy: -331.873257 where: bonds (distance) C4'-P energy: -65.732 bonds (distance) P-C4' energy: -80.796 flat angles C4'-P-C4' energy: -88.860 flat angles P-C4'-P energy: -50.868 tors. eta vs tors. theta energy: -45.617 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: 2 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -623.334095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.334095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.334095 (E_RNA) where: Base-Base interactions energy: -341.689 where: short stacking energy: -190.868 Base-Backbone interact. energy: 5.118 local terms energy: -286.762844 where: bonds (distance) C4'-P energy: -87.184 bonds (distance) P-C4' energy: -71.854 flat angles C4'-P-C4' energy: -78.024 flat angles P-C4'-P energy: -33.185 tors. eta vs tors. theta energy: -16.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1859.191431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.191431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.191431 (E_RNA) where: Base-Base interactions energy: -1320.406 where: short stacking energy: -558.600 Base-Backbone interact. energy: -4.482 local terms energy: -534.303893 where: bonds (distance) C4'-P energy: -100.538 bonds (distance) P-C4' energy: -89.308 flat angles C4'-P-C4' energy: -109.830 flat angles P-C4'-P energy: -79.191 tors. eta vs tors. theta energy: -155.437 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: 233 Temperature: 0.950000 Total energy: -1758.164658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.164658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.164658 (E_RNA) where: Base-Base interactions energy: -1227.579 where: short stacking energy: -511.344 Base-Backbone interact. energy: -0.921 local terms energy: -529.664211 where: bonds (distance) C4'-P energy: -98.892 bonds (distance) P-C4' energy: -93.071 flat angles C4'-P-C4' energy: -118.114 flat angles P-C4'-P energy: -70.238 tors. eta vs tors. theta energy: -149.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1655.124625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.124625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.124625 (E_RNA) where: Base-Base interactions energy: -1147.649 where: short stacking energy: -496.997 Base-Backbone interact. energy: -1.431 local terms energy: -506.045020 where: bonds (distance) C4'-P energy: -96.125 bonds (distance) P-C4' energy: -91.763 flat angles C4'-P-C4' energy: -109.227 flat angles P-C4'-P energy: -72.652 tors. eta vs tors. theta energy: -136.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1581.205950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.205950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.205950 (E_RNA) where: Base-Base interactions energy: -1103.548 where: short stacking energy: -459.442 Base-Backbone interact. energy: -1.560 local terms energy: -476.098012 where: bonds (distance) C4'-P energy: -74.479 bonds (distance) P-C4' energy: -91.893 flat angles C4'-P-C4' energy: -104.317 flat angles P-C4'-P energy: -69.940 tors. eta vs tors. theta energy: -135.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -1499.925143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.925143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.925143 (E_RNA) where: Base-Base interactions energy: -1046.977 where: short stacking energy: -438.630 Base-Backbone interact. energy: -2.538 local terms energy: -450.409912 where: bonds (distance) C4'-P energy: -75.479 bonds (distance) P-C4' energy: -96.715 flat angles C4'-P-C4' energy: -100.916 flat angles P-C4'-P energy: -53.467 tors. eta vs tors. theta energy: -123.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -1411.020951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.020951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.020951 (E_RNA) where: Base-Base interactions energy: -959.991 where: short stacking energy: -430.724 Base-Backbone interact. energy: 0.056 local terms energy: -451.086476 where: bonds (distance) C4'-P energy: -92.024 bonds (distance) P-C4' energy: -77.627 flat angles C4'-P-C4' energy: -106.815 flat angles P-C4'-P energy: -55.912 tors. eta vs tors. theta energy: -118.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -1265.219067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.219067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.219067 (E_RNA) where: Base-Base interactions energy: -871.452 where: short stacking energy: -360.886 Base-Backbone interact. energy: -1.320 local terms energy: -392.447659 where: bonds (distance) C4'-P energy: -83.342 bonds (distance) P-C4' energy: -74.139 flat angles C4'-P-C4' energy: -86.462 flat angles P-C4'-P energy: -55.124 tors. eta vs tors. theta energy: -93.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -1074.449013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.449013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.449013 (E_RNA) where: Base-Base interactions energy: -684.176 where: short stacking energy: -311.860 Base-Backbone interact. energy: 0.931 local terms energy: -391.204704 where: bonds (distance) C4'-P energy: -83.189 bonds (distance) P-C4' energy: -91.268 flat angles C4'-P-C4' energy: -77.959 flat angles P-C4'-P energy: -67.755 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: 9, replica: 10 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -922.358448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.358448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.358448 (E_RNA) where: Base-Base interactions energy: -595.230 where: short stacking energy: -265.127 Base-Backbone interact. energy: -0.052 local terms energy: -327.076035 where: bonds (distance) C4'-P energy: -76.437 bonds (distance) P-C4' energy: -79.919 flat angles C4'-P-C4' energy: -74.433 flat angles P-C4'-P energy: -44.147 tors. eta vs tors. theta energy: -52.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -579.567408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.567408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.567408 (E_RNA) where: Base-Base interactions energy: -306.100 where: short stacking energy: -180.212 Base-Backbone interact. energy: -2.143 local terms energy: -271.324411 where: bonds (distance) C4'-P energy: -77.140 bonds (distance) P-C4' energy: -66.174 flat angles C4'-P-C4' energy: -63.569 flat angles P-C4'-P energy: -35.309 tors. eta vs tors. theta energy: -29.132 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: 6 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1895.856533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.856533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.856533 (E_RNA) where: Base-Base interactions energy: -1343.851 where: short stacking energy: -559.135 Base-Backbone interact. energy: -0.418 local terms energy: -551.587335 where: bonds (distance) C4'-P energy: -89.637 bonds (distance) P-C4' energy: -101.239 flat angles C4'-P-C4' energy: -123.589 flat angles P-C4'-P energy: -78.797 tors. eta vs tors. theta energy: -158.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1772.156427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.156427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.156427 (E_RNA) where: Base-Base interactions energy: -1246.229 where: short stacking energy: -527.868 Base-Backbone interact. energy: -1.616 local terms energy: -524.311458 where: bonds (distance) C4'-P energy: -99.787 bonds (distance) P-C4' energy: -98.745 flat angles C4'-P-C4' energy: -110.179 flat angles P-C4'-P energy: -66.117 tors. eta vs tors. theta energy: -149.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1668.458622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.458622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.458622 (E_RNA) where: Base-Base interactions energy: -1155.922 where: short stacking energy: -510.681 Base-Backbone interact. energy: -3.563 local terms energy: -508.973617 where: bonds (distance) C4'-P energy: -86.271 bonds (distance) P-C4' energy: -97.025 flat angles C4'-P-C4' energy: -110.813 flat angles P-C4'-P energy: -66.995 tors. eta vs tors. theta energy: -147.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1568.816208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.816208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.816208 (E_RNA) where: Base-Base interactions energy: -1113.405 where: short stacking energy: -437.069 Base-Backbone interact. energy: -2.055 local terms energy: -453.356501 where: bonds (distance) C4'-P energy: -87.687 bonds (distance) P-C4' energy: -85.794 flat angles C4'-P-C4' energy: -100.245 flat angles P-C4'-P energy: -54.428 tors. eta vs tors. theta energy: -125.201 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: 234 Temperature: 1.100000 Total energy: -1542.168342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.168342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.168342 (E_RNA) where: Base-Base interactions energy: -1078.700 where: short stacking energy: -430.295 Base-Backbone interact. energy: -2.549 local terms energy: -460.918972 where: bonds (distance) C4'-P energy: -90.646 bonds (distance) P-C4' energy: -73.799 flat angles C4'-P-C4' energy: -103.117 flat angles P-C4'-P energy: -69.971 tors. eta vs tors. theta energy: -123.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -1369.816396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.816396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.816396 (E_RNA) where: Base-Base interactions energy: -938.407 where: short stacking energy: -397.550 Base-Backbone interact. energy: -2.317 local terms energy: -429.092184 where: bonds (distance) C4'-P energy: -84.778 bonds (distance) P-C4' energy: -80.268 flat angles C4'-P-C4' energy: -97.937 flat angles P-C4'-P energy: -66.069 tors. eta vs tors. theta energy: -100.039 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: 234 Temperature: 1.200000 Total energy: -1325.472018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.472018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.472018 (E_RNA) where: Base-Base interactions energy: -906.105 where: short stacking energy: -395.701 Base-Backbone interact. energy: 0.126 local terms energy: -419.492334 where: bonds (distance) C4'-P energy: -86.276 bonds (distance) P-C4' energy: -73.576 flat angles C4'-P-C4' energy: -102.696 flat angles P-C4'-P energy: -54.495 tors. eta vs tors. theta energy: -102.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -1077.463092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.463092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.463092 (E_RNA) where: Base-Base interactions energy: -699.384 where: short stacking energy: -329.300 Base-Backbone interact. energy: -2.040 local terms energy: -376.039232 where: bonds (distance) C4'-P energy: -90.266 bonds (distance) P-C4' energy: -76.319 flat angles C4'-P-C4' energy: -77.815 flat angles P-C4'-P energy: -57.339 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: 9, replica: 10 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -984.907278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.907278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.907278 (E_RNA) where: Base-Base interactions energy: -629.488 where: short stacking energy: -282.631 Base-Backbone interact. energy: 0.066 local terms energy: -355.485739 where: bonds (distance) C4'-P energy: -82.604 bonds (distance) P-C4' energy: -80.769 flat angles C4'-P-C4' energy: -84.307 flat angles P-C4'-P energy: -52.127 tors. eta vs tors. theta energy: -55.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -566.978022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.978022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.978022 (E_RNA) where: Base-Base interactions energy: -290.016 where: short stacking energy: -166.647 Base-Backbone interact. energy: 1.852 local terms energy: -278.813708 where: bonds (distance) C4'-P energy: -66.858 bonds (distance) P-C4' energy: -86.579 flat angles C4'-P-C4' energy: -83.378 flat angles P-C4'-P energy: -30.221 tors. eta vs tors. theta energy: -11.777 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: 6 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1847.172608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.172608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.172608 (E_RNA) where: Base-Base interactions energy: -1328.885 where: short stacking energy: -539.864 Base-Backbone interact. energy: -2.354 local terms energy: -515.933907 where: bonds (distance) C4'-P energy: -97.022 bonds (distance) P-C4' energy: -86.112 flat angles C4'-P-C4' energy: -118.279 flat angles P-C4'-P energy: -72.853 tors. eta vs tors. theta energy: -141.667 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: 235 Temperature: 0.950000 Total energy: -1745.306855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.306855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.306855 (E_RNA) where: Base-Base interactions energy: -1233.513 where: short stacking energy: -505.698 Base-Backbone interact. energy: -0.843 local terms energy: -510.950496 where: bonds (distance) C4'-P energy: -88.536 bonds (distance) P-C4' energy: -108.204 flat angles C4'-P-C4' energy: -105.023 flat angles P-C4'-P energy: -66.464 tors. eta vs tors. theta energy: -142.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1660.925979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.925979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.925979 (E_RNA) where: Base-Base interactions energy: -1149.683 where: short stacking energy: -508.869 Base-Backbone interact. energy: -1.758 local terms energy: -509.484213 where: bonds (distance) C4'-P energy: -96.389 bonds (distance) P-C4' energy: -89.554 flat angles C4'-P-C4' energy: -111.012 flat angles P-C4'-P energy: -74.681 tors. eta vs tors. theta energy: -137.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -1552.699164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1552.699164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1552.699164 (E_RNA) where: Base-Base interactions energy: -1073.934 where: short stacking energy: -493.067 Base-Backbone interact. energy: -2.571 local terms energy: -476.194532 where: bonds (distance) C4'-P energy: -75.814 bonds (distance) P-C4' energy: -84.497 flat angles C4'-P-C4' energy: -103.921 flat angles P-C4'-P energy: -73.710 tors. eta vs tors. theta energy: -138.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -1514.546141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.546141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.546141 (E_RNA) where: Base-Base interactions energy: -1081.635 where: short stacking energy: -458.209 Base-Backbone interact. energy: -0.151 local terms energy: -432.760576 where: bonds (distance) C4'-P energy: -85.790 bonds (distance) P-C4' energy: -85.331 flat angles C4'-P-C4' energy: -89.476 flat angles P-C4'-P energy: -56.665 tors. eta vs tors. theta energy: -115.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -1395.823744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.823744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.823744 (E_RNA) where: Base-Base interactions energy: -961.561 where: short stacking energy: -393.534 Base-Backbone interact. energy: -0.788 local terms energy: -433.474193 where: bonds (distance) C4'-P energy: -85.809 bonds (distance) P-C4' energy: -85.443 flat angles C4'-P-C4' energy: -99.019 flat angles P-C4'-P energy: -63.896 tors. eta vs tors. theta energy: -99.307 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: 9 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -1342.858060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.858060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.858060 (E_RNA) where: Base-Base interactions energy: -914.568 where: short stacking energy: -413.701 Base-Backbone interact. energy: 1.192 local terms energy: -429.481974 where: bonds (distance) C4'-P energy: -85.838 bonds (distance) P-C4' energy: -90.756 flat angles C4'-P-C4' energy: -88.566 flat angles P-C4'-P energy: -56.622 tors. eta vs tors. theta energy: -107.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -1158.788845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.788845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.788845 (E_RNA) where: Base-Base interactions energy: -757.904 where: short stacking energy: -364.892 Base-Backbone interact. energy: -0.975 local terms energy: -399.909757 where: bonds (distance) C4'-P energy: -71.850 bonds (distance) P-C4' energy: -89.861 flat angles C4'-P-C4' energy: -92.628 flat angles P-C4'-P energy: -54.254 tors. eta vs tors. theta energy: -91.317 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: 10 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -966.952757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.952757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.952757 (E_RNA) where: Base-Base interactions energy: -609.191 where: short stacking energy: -272.350 Base-Backbone interact. energy: -1.562 local terms energy: -356.199196 where: bonds (distance) C4'-P energy: -74.676 bonds (distance) P-C4' energy: -91.364 flat angles C4'-P-C4' energy: -86.569 flat angles P-C4'-P energy: -52.091 tors. eta vs tors. theta energy: -51.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -572.098538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.098538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.098538 (E_RNA) where: Base-Base interactions energy: -299.617 where: short stacking energy: -151.465 Base-Backbone interact. energy: -1.915 local terms energy: -270.566332 where: bonds (distance) C4'-P energy: -72.819 bonds (distance) P-C4' energy: -66.913 flat angles C4'-P-C4' energy: -75.575 flat angles P-C4'-P energy: -47.028 tors. eta vs tors. theta energy: -8.231 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: 6 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1865.810312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.810312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.810312 (E_RNA) where: Base-Base interactions energy: -1319.367 where: short stacking energy: -546.266 Base-Backbone interact. energy: -1.773 local terms energy: -544.670679 where: bonds (distance) C4'-P energy: -99.220 bonds (distance) P-C4' energy: -95.299 flat angles C4'-P-C4' energy: -113.637 flat angles P-C4'-P energy: -90.296 tors. eta vs tors. theta energy: -146.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1750.351311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.351311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.351311 (E_RNA) where: Base-Base interactions energy: -1220.968 where: short stacking energy: -542.619 Base-Backbone interact. energy: 0.006 local terms energy: -529.389055 where: bonds (distance) C4'-P energy: -87.496 bonds (distance) P-C4' energy: -104.250 flat angles C4'-P-C4' energy: -117.595 flat angles P-C4'-P energy: -74.345 tors. eta vs tors. theta energy: -145.703 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: 3 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1655.876988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1655.876988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1655.876988 (E_RNA) where: Base-Base interactions energy: -1155.945 where: short stacking energy: -508.489 Base-Backbone interact. energy: -0.324 local terms energy: -499.607600 where: bonds (distance) C4'-P energy: -92.663 bonds (distance) P-C4' energy: -93.544 flat angles C4'-P-C4' energy: -102.030 flat angles P-C4'-P energy: -72.174 tors. eta vs tors. theta energy: -139.197 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: 4 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -1563.327624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.327624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.327624 (E_RNA) where: Base-Base interactions energy: -1080.010 where: short stacking energy: -459.360 Base-Backbone interact. energy: -0.330 local terms energy: -482.988285 where: bonds (distance) C4'-P energy: -99.729 bonds (distance) P-C4' energy: -86.436 flat angles C4'-P-C4' energy: -95.270 flat angles P-C4'-P energy: -66.024 tors. eta vs tors. theta energy: -135.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -1537.534427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.534427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.534427 (E_RNA) where: Base-Base interactions energy: -1060.664 where: short stacking energy: -434.982 Base-Backbone interact. energy: 1.427 local terms energy: -478.297216 where: bonds (distance) C4'-P energy: -87.776 bonds (distance) P-C4' energy: -108.272 flat angles C4'-P-C4' energy: -89.349 flat angles P-C4'-P energy: -64.886 tors. eta vs tors. theta energy: -128.014 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: 236 Temperature: 1.150000 Total energy: -1362.844381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.844381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.844381 (E_RNA) where: Base-Base interactions energy: -942.969 where: short stacking energy: -395.362 Base-Backbone interact. energy: -2.470 local terms energy: -417.405262 where: bonds (distance) C4'-P energy: -79.604 bonds (distance) P-C4' energy: -93.857 flat angles C4'-P-C4' energy: -85.634 flat angles P-C4'-P energy: -60.530 tors. eta vs tors. theta energy: -97.780 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: 9 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -1319.404236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.404236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.404236 (E_RNA) where: Base-Base interactions energy: -893.752 where: short stacking energy: -385.747 Base-Backbone interact. energy: -0.361 local terms energy: -425.290921 where: bonds (distance) C4'-P energy: -78.144 bonds (distance) P-C4' energy: -87.437 flat angles C4'-P-C4' energy: -99.288 flat angles P-C4'-P energy: -61.611 tors. eta vs tors. theta energy: -98.811 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: 1 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -1145.761225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.761225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.761225 (E_RNA) where: Base-Base interactions energy: -749.108 where: short stacking energy: -347.152 Base-Backbone interact. energy: 0.392 local terms energy: -397.045109 where: bonds (distance) C4'-P energy: -76.730 bonds (distance) P-C4' energy: -78.912 flat angles C4'-P-C4' energy: -90.883 flat angles P-C4'-P energy: -62.858 tors. eta vs tors. theta energy: -87.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -910.931283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.931283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.931283 (E_RNA) where: Base-Base interactions energy: -561.590 where: short stacking energy: -250.498 Base-Backbone interact. energy: 2.879 local terms energy: -352.220571 where: bonds (distance) C4'-P energy: -89.933 bonds (distance) P-C4' energy: -92.569 flat angles C4'-P-C4' energy: -76.023 flat angles P-C4'-P energy: -50.280 tors. eta vs tors. theta energy: -43.416 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: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -643.557953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.557953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.557953 (E_RNA) where: Base-Base interactions energy: -347.499 where: short stacking energy: -196.212 Base-Backbone interact. energy: -1.777 local terms energy: -294.281703 where: bonds (distance) C4'-P energy: -70.729 bonds (distance) P-C4' energy: -90.722 flat angles C4'-P-C4' energy: -68.921 flat angles P-C4'-P energy: -45.077 tors. eta vs tors. theta energy: -18.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1883.162388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.162388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.162388 (E_RNA) where: Base-Base interactions energy: -1329.554 where: short stacking energy: -561.319 Base-Backbone interact. energy: -2.496 local terms energy: -551.112212 where: bonds (distance) C4'-P energy: -92.343 bonds (distance) P-C4' energy: -102.357 flat angles C4'-P-C4' energy: -121.785 flat angles P-C4'-P energy: -77.503 tors. eta vs tors. theta energy: -157.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1744.014125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.014125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.014125 (E_RNA) where: Base-Base interactions energy: -1236.436 where: short stacking energy: -523.397 Base-Backbone interact. energy: -3.977 local terms energy: -503.600962 where: bonds (distance) C4'-P energy: -83.010 bonds (distance) P-C4' energy: -100.740 flat angles C4'-P-C4' energy: -113.493 flat angles P-C4'-P energy: -61.126 tors. eta vs tors. theta energy: -145.232 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1665.043467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.043467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.043467 (E_RNA) where: Base-Base interactions energy: -1168.743 where: short stacking energy: -507.922 Base-Backbone interact. energy: -3.872 local terms energy: -492.428552 where: bonds (distance) C4'-P energy: -89.551 bonds (distance) P-C4' energy: -89.003 flat angles C4'-P-C4' energy: -97.721 flat angles P-C4'-P energy: -68.835 tors. eta vs tors. theta energy: -147.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1566.185010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1566.185010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1566.185010 (E_RNA) where: Base-Base interactions energy: -1089.066 where: short stacking energy: -477.692 Base-Backbone interact. energy: -3.425 local terms energy: -473.693155 where: bonds (distance) C4'-P energy: -79.701 bonds (distance) P-C4' energy: -91.033 flat angles C4'-P-C4' energy: -95.915 flat angles P-C4'-P energy: -71.650 tors. eta vs tors. theta energy: -135.395 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: 4 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -1535.865119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.865119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.865119 (E_RNA) where: Base-Base interactions energy: -1055.871 where: short stacking energy: -445.120 Base-Backbone interact. energy: -1.503 local terms energy: -478.491015 where: bonds (distance) C4'-P energy: -85.492 bonds (distance) P-C4' energy: -92.196 flat angles C4'-P-C4' energy: -105.362 flat angles P-C4'-P energy: -65.181 tors. eta vs tors. theta energy: -130.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -1372.199495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.199495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.199495 (E_RNA) where: Base-Base interactions energy: -938.288 where: short stacking energy: -382.532 Base-Backbone interact. energy: -0.766 local terms energy: -433.145230 where: bonds (distance) C4'-P energy: -88.820 bonds (distance) P-C4' energy: -91.925 flat angles C4'-P-C4' energy: -95.125 flat angles P-C4'-P energy: -66.089 tors. eta vs tors. theta energy: -91.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -1324.487350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.487350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.487350 (E_RNA) where: Base-Base interactions energy: -952.352 where: short stacking energy: -382.324 Base-Backbone interact. energy: 3.267 local terms energy: -375.402471 where: bonds (distance) C4'-P energy: -74.933 bonds (distance) P-C4' energy: -70.329 flat angles C4'-P-C4' energy: -89.264 flat angles P-C4'-P energy: -44.109 tors. eta vs tors. theta energy: -96.768 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: 1 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -1128.955860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.955860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.955860 (E_RNA) where: Base-Base interactions energy: -765.513 where: short stacking energy: -329.643 Base-Backbone interact. energy: -0.820 local terms energy: -362.623377 where: bonds (distance) C4'-P energy: -70.699 bonds (distance) P-C4' energy: -84.406 flat angles C4'-P-C4' energy: -73.848 flat angles P-C4'-P energy: -53.096 tors. eta vs tors. theta energy: -80.575 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: 9, replica: 10 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -881.383356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.383356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.383356 (E_RNA) where: Base-Base interactions energy: -545.997 where: short stacking energy: -265.885 Base-Backbone interact. energy: 3.100 local terms energy: -338.485972 where: bonds (distance) C4'-P energy: -74.356 bonds (distance) P-C4' energy: -92.124 flat angles C4'-P-C4' energy: -80.160 flat angles P-C4'-P energy: -60.316 tors. eta vs tors. theta energy: -31.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -639.920924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.920924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.920924 (E_RNA) where: Base-Base interactions energy: -334.505 where: short stacking energy: -169.138 Base-Backbone interact. energy: -1.177 local terms energy: -304.238899 where: bonds (distance) C4'-P energy: -79.742 bonds (distance) P-C4' energy: -82.786 flat angles C4'-P-C4' energy: -79.596 flat angles P-C4'-P energy: -55.972 tors. eta vs tors. theta energy: -6.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1881.274360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.274360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.274360 (E_RNA) where: Base-Base interactions energy: -1331.830 where: short stacking energy: -566.985 Base-Backbone interact. energy: -4.467 local terms energy: -544.977341 where: bonds (distance) C4'-P energy: -89.222 bonds (distance) P-C4' energy: -101.106 flat angles C4'-P-C4' energy: -106.555 flat angles P-C4'-P energy: -86.874 tors. eta vs tors. theta energy: -161.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1744.992312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.992312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.992312 (E_RNA) where: Base-Base interactions energy: -1220.048 where: short stacking energy: -528.878 Base-Backbone interact. energy: 0.324 local terms energy: -525.268326 where: bonds (distance) C4'-P energy: -88.314 bonds (distance) P-C4' energy: -95.930 flat angles C4'-P-C4' energy: -116.415 flat angles P-C4'-P energy: -75.595 tors. eta vs tors. theta energy: -149.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1645.504069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.504069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.504069 (E_RNA) where: Base-Base interactions energy: -1132.420 where: short stacking energy: -488.523 Base-Backbone interact. energy: -2.524 local terms energy: -510.560236 where: bonds (distance) C4'-P energy: -90.996 bonds (distance) P-C4' energy: -89.026 flat angles C4'-P-C4' energy: -108.920 flat angles P-C4'-P energy: -82.338 tors. eta vs tors. theta energy: -139.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1599.134128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.134128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.134128 (E_RNA) where: Base-Base interactions energy: -1120.737 where: short stacking energy: -468.228 Base-Backbone interact. energy: -2.186 local terms energy: -476.210962 where: bonds (distance) C4'-P energy: -81.702 bonds (distance) P-C4' energy: -95.553 flat angles C4'-P-C4' energy: -108.215 flat angles P-C4'-P energy: -65.305 tors. eta vs tors. theta energy: -125.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -1523.051141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.051141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.051141 (E_RNA) where: Base-Base interactions energy: -1041.774 where: short stacking energy: -467.108 Base-Backbone interact. energy: -0.468 local terms energy: -480.808910 where: bonds (distance) C4'-P energy: -95.697 bonds (distance) P-C4' energy: -95.661 flat angles C4'-P-C4' energy: -92.314 flat angles P-C4'-P energy: -59.851 tors. eta vs tors. theta energy: -137.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -1377.151643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1377.151643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1377.151643 (E_RNA) where: Base-Base interactions energy: -976.063 where: short stacking energy: -411.338 Base-Backbone interact. energy: -1.305 local terms energy: -399.783035 where: bonds (distance) C4'-P energy: -77.273 bonds (distance) P-C4' energy: -83.739 flat angles C4'-P-C4' energy: -81.806 flat angles P-C4'-P energy: -50.236 tors. eta vs tors. theta energy: -106.730 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: 9 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -1325.689470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.689470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.689470 (E_RNA) where: Base-Base interactions energy: -910.541 where: short stacking energy: -385.175 Base-Backbone interact. energy: -2.115 local terms energy: -413.033895 where: bonds (distance) C4'-P energy: -82.537 bonds (distance) P-C4' energy: -74.507 flat angles C4'-P-C4' energy: -97.034 flat angles P-C4'-P energy: -58.417 tors. eta vs tors. theta energy: -100.539 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: 8, replica: 1 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -1139.382323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.382323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.382323 (E_RNA) where: Base-Base interactions energy: -796.388 where: short stacking energy: -367.271 Base-Backbone interact. energy: -1.419 local terms energy: -341.575062 where: bonds (distance) C4'-P energy: -62.661 bonds (distance) P-C4' energy: -65.317 flat angles C4'-P-C4' energy: -86.963 flat angles P-C4'-P energy: -52.344 tors. eta vs tors. theta energy: -74.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -817.528364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.528364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.528364 (E_RNA) where: Base-Base interactions energy: -517.321 where: short stacking energy: -254.780 Base-Backbone interact. energy: -0.176 local terms energy: -300.031607 where: bonds (distance) C4'-P energy: -69.799 bonds (distance) P-C4' energy: -81.977 flat angles C4'-P-C4' energy: -78.063 flat angles P-C4'-P energy: -30.606 tors. eta vs tors. theta energy: -39.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -669.061037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.061037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.061037 (E_RNA) where: Base-Base interactions energy: -390.329 where: short stacking energy: -207.545 Base-Backbone interact. energy: 0.468 local terms energy: -279.199427 where: bonds (distance) C4'-P energy: -83.769 bonds (distance) P-C4' energy: -85.207 flat angles C4'-P-C4' energy: -69.925 flat angles P-C4'-P energy: -25.830 tors. eta vs tors. theta energy: -14.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1853.662369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.662369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.662369 (E_RNA) where: Base-Base interactions energy: -1294.245 where: short stacking energy: -545.133 Base-Backbone interact. energy: -2.885 local terms energy: -556.532689 where: bonds (distance) C4'-P energy: -99.501 bonds (distance) P-C4' energy: -94.409 flat angles C4'-P-C4' energy: -121.460 flat angles P-C4'-P energy: -80.560 tors. eta vs tors. theta energy: -160.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1770.772633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.772633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.772633 (E_RNA) where: Base-Base interactions energy: -1252.346 where: short stacking energy: -526.244 Base-Backbone interact. energy: -2.378 local terms energy: -516.048782 where: bonds (distance) C4'-P energy: -87.727 bonds (distance) P-C4' energy: -99.337 flat angles C4'-P-C4' energy: -108.297 flat angles P-C4'-P energy: -77.890 tors. eta vs tors. theta energy: -142.798 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: 3, replica: 3 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1643.197036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.197036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.197036 (E_RNA) where: Base-Base interactions energy: -1158.236 where: short stacking energy: -501.026 Base-Backbone interact. energy: -0.118 local terms energy: -484.842805 where: bonds (distance) C4'-P energy: -87.958 bonds (distance) P-C4' energy: -79.889 flat angles C4'-P-C4' energy: -102.817 flat angles P-C4'-P energy: -76.087 tors. eta vs tors. theta energy: -138.092 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: 4 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1570.262418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.262418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.262418 (E_RNA) where: Base-Base interactions energy: -1069.915 where: short stacking energy: -488.188 Base-Backbone interact. energy: -3.381 local terms energy: -496.967217 where: bonds (distance) C4'-P energy: -90.006 bonds (distance) P-C4' energy: -83.649 flat angles C4'-P-C4' energy: -98.758 flat angles P-C4'-P energy: -75.704 tors. eta vs tors. theta energy: -148.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -1528.425951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.425951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.425951 (E_RNA) where: Base-Base interactions energy: -1070.387 where: short stacking energy: -449.618 Base-Backbone interact. energy: -3.287 local terms energy: -454.751850 where: bonds (distance) C4'-P energy: -85.778 bonds (distance) P-C4' energy: -85.504 flat angles C4'-P-C4' energy: -92.750 flat angles P-C4'-P energy: -74.168 tors. eta vs tors. theta energy: -116.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -1361.287811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.287811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.287811 (E_RNA) where: Base-Base interactions energy: -932.389 where: short stacking energy: -374.330 Base-Backbone interact. energy: -2.409 local terms energy: -426.489975 where: bonds (distance) C4'-P energy: -78.831 bonds (distance) P-C4' energy: -95.687 flat angles C4'-P-C4' energy: -92.530 flat angles P-C4'-P energy: -61.626 tors. eta vs tors. theta energy: -97.817 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: 9 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -1332.735994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.735994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.735994 (E_RNA) where: Base-Base interactions energy: -928.388 where: short stacking energy: -389.481 Base-Backbone interact. energy: -1.680 local terms energy: -402.668006 where: bonds (distance) C4'-P energy: -81.867 bonds (distance) P-C4' energy: -87.705 flat angles C4'-P-C4' energy: -79.443 flat angles P-C4'-P energy: -57.278 tors. eta vs tors. theta energy: -96.374 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: 8, replica: 1 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -1101.651174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.651174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.651174 (E_RNA) where: Base-Base interactions energy: -729.546 where: short stacking energy: -311.736 Base-Backbone interact. energy: 0.111 local terms energy: -372.216767 where: bonds (distance) C4'-P energy: -72.897 bonds (distance) P-C4' energy: -76.825 flat angles C4'-P-C4' energy: -93.690 flat angles P-C4'-P energy: -54.837 tors. eta vs tors. theta energy: -73.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -870.290896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.290896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.290896 (E_RNA) where: Base-Base interactions energy: -553.697 where: short stacking energy: -255.673 Base-Backbone interact. energy: -1.619 local terms energy: -314.974869 where: bonds (distance) C4'-P energy: -75.370 bonds (distance) P-C4' energy: -84.603 flat angles C4'-P-C4' energy: -89.871 flat angles P-C4'-P energy: -38.937 tors. eta vs tors. theta energy: -26.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -635.895561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.895561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.895561 (E_RNA) where: Base-Base interactions energy: -368.683 where: short stacking energy: -192.036 Base-Backbone interact. energy: 0.258 local terms energy: -267.470902 where: bonds (distance) C4'-P energy: -75.117 bonds (distance) P-C4' energy: -75.813 flat angles C4'-P-C4' energy: -69.875 flat angles P-C4'-P energy: -28.657 tors. eta vs tors. theta energy: -18.008 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: 6 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1876.491145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.491145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.491145 (E_RNA) where: Base-Base interactions energy: -1329.361 where: short stacking energy: -570.500 Base-Backbone interact. energy: 0.529 local terms energy: -547.658494 where: bonds (distance) C4'-P energy: -92.105 bonds (distance) P-C4' energy: -102.259 flat angles C4'-P-C4' energy: -104.636 flat angles P-C4'-P energy: -86.935 tors. eta vs tors. theta energy: -161.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1758.159009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.159009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.159009 (E_RNA) where: Base-Base interactions energy: -1225.852 where: short stacking energy: -527.463 Base-Backbone interact. energy: -1.613 local terms energy: -530.694407 where: bonds (distance) C4'-P energy: -108.682 bonds (distance) P-C4' energy: -90.221 flat angles C4'-P-C4' energy: -101.184 flat angles P-C4'-P energy: -81.126 tors. eta vs tors. theta energy: -149.481 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: 3, replica: 3 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1638.321393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.321393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.321393 (E_RNA) where: Base-Base interactions energy: -1134.613 where: short stacking energy: -475.589 Base-Backbone interact. energy: -3.301 local terms energy: -500.407211 where: bonds (distance) C4'-P energy: -90.884 bonds (distance) P-C4' energy: -98.226 flat angles C4'-P-C4' energy: -107.529 flat angles P-C4'-P energy: -71.722 tors. eta vs tors. theta energy: -132.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1528.401099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.401099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.401099 (E_RNA) where: Base-Base interactions energy: -1058.719 where: short stacking energy: -453.866 Base-Backbone interact. energy: -3.438 local terms energy: -466.244285 where: bonds (distance) C4'-P energy: -95.474 bonds (distance) P-C4' energy: -74.725 flat angles C4'-P-C4' energy: -103.274 flat angles P-C4'-P energy: -64.575 tors. eta vs tors. theta energy: -128.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -1509.194445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.194445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.194445 (E_RNA) where: Base-Base interactions energy: -1039.131 where: short stacking energy: -434.933 Base-Backbone interact. energy: -2.608 local terms energy: -467.455052 where: bonds (distance) C4'-P energy: -81.109 bonds (distance) P-C4' energy: -92.951 flat angles C4'-P-C4' energy: -106.625 flat angles P-C4'-P energy: -60.348 tors. eta vs tors. theta energy: -126.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -1382.830765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.830765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.830765 (E_RNA) where: Base-Base interactions energy: -949.617 where: short stacking energy: -417.717 Base-Backbone interact. energy: 0.402 local terms energy: -433.615557 where: bonds (distance) C4'-P energy: -88.325 bonds (distance) P-C4' energy: -75.099 flat angles C4'-P-C4' energy: -100.389 flat angles P-C4'-P energy: -65.451 tors. eta vs tors. theta energy: -104.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -1351.759410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.759410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.759410 (E_RNA) where: Base-Base interactions energy: -942.760 where: short stacking energy: -422.787 Base-Backbone interact. energy: -3.366 local terms energy: -405.633555 where: bonds (distance) C4'-P energy: -92.956 bonds (distance) P-C4' energy: -76.572 flat angles C4'-P-C4' energy: -83.711 flat angles P-C4'-P energy: -57.721 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: 8, replica: 1 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -1090.358290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.358290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.358290 (E_RNA) where: Base-Base interactions energy: -729.614 where: short stacking energy: -342.742 Base-Backbone interact. energy: 1.518 local terms energy: -362.262011 where: bonds (distance) C4'-P energy: -74.095 bonds (distance) P-C4' energy: -81.287 flat angles C4'-P-C4' energy: -80.227 flat angles P-C4'-P energy: -47.918 tors. eta vs tors. theta energy: -78.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -860.724295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.724295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.724295 (E_RNA) where: Base-Base interactions energy: -539.412 where: short stacking energy: -253.395 Base-Backbone interact. energy: -1.401 local terms energy: -319.911480 where: bonds (distance) C4'-P energy: -77.236 bonds (distance) P-C4' energy: -73.190 flat angles C4'-P-C4' energy: -90.885 flat angles P-C4'-P energy: -55.749 tors. eta vs tors. theta energy: -22.851 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: 10, replica: 2 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -646.155912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.155912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.155912 (E_RNA) where: Base-Base interactions energy: -367.199 where: short stacking energy: -189.321 Base-Backbone interact. energy: -3.004 local terms energy: -275.952654 where: bonds (distance) C4'-P energy: -68.209 bonds (distance) P-C4' energy: -81.875 flat angles C4'-P-C4' energy: -85.967 flat angles P-C4'-P energy: -34.497 tors. eta vs tors. theta energy: -5.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1844.441000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.441000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.441000 (E_RNA) where: Base-Base interactions energy: -1319.818 where: short stacking energy: -547.727 Base-Backbone interact. energy: -1.511 local terms energy: -523.111636 where: bonds (distance) C4'-P energy: -80.896 bonds (distance) P-C4' energy: -97.013 flat angles C4'-P-C4' energy: -106.804 flat angles P-C4'-P energy: -85.108 tors. eta vs tors. theta energy: -153.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1738.170867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.170867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.170867 (E_RNA) where: Base-Base interactions energy: -1221.746 where: short stacking energy: -510.132 Base-Backbone interact. energy: -3.193 local terms energy: -513.232488 where: bonds (distance) C4'-P energy: -82.556 bonds (distance) P-C4' energy: -95.121 flat angles C4'-P-C4' energy: -109.766 flat angles P-C4'-P energy: -75.118 tors. eta vs tors. theta energy: -150.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1642.600999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.600999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.600999 (E_RNA) where: Base-Base interactions energy: -1142.344 where: short stacking energy: -477.673 Base-Backbone interact. energy: -2.971 local terms energy: -497.285458 where: bonds (distance) C4'-P energy: -87.732 bonds (distance) P-C4' energy: -97.607 flat angles C4'-P-C4' energy: -100.904 flat angles P-C4'-P energy: -72.636 tors. eta vs tors. theta energy: -138.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -1575.584210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.584210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.584210 (E_RNA) where: Base-Base interactions energy: -1079.717 where: short stacking energy: -434.389 Base-Backbone interact. energy: 0.897 local terms energy: -496.764480 where: bonds (distance) C4'-P energy: -95.873 bonds (distance) P-C4' energy: -91.794 flat angles C4'-P-C4' energy: -109.120 flat angles P-C4'-P energy: -79.165 tors. eta vs tors. theta energy: -120.813 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: 4 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -1496.404622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.404622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.404622 (E_RNA) where: Base-Base interactions energy: -1009.796 where: short stacking energy: -453.947 Base-Backbone interact. energy: -1.168 local terms energy: -485.440604 where: bonds (distance) C4'-P energy: -91.822 bonds (distance) P-C4' energy: -94.664 flat angles C4'-P-C4' energy: -108.331 flat angles P-C4'-P energy: -64.640 tors. eta vs tors. theta energy: -125.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -1379.122623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.122623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.122623 (E_RNA) where: Base-Base interactions energy: -951.625 where: short stacking energy: -434.111 Base-Backbone interact. energy: -0.596 local terms energy: -426.901217 where: bonds (distance) C4'-P energy: -75.469 bonds (distance) P-C4' energy: -92.999 flat angles C4'-P-C4' energy: -91.378 flat angles P-C4'-P energy: -56.992 tors. eta vs tors. theta energy: -110.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -1337.853244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.853244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.853244 (E_RNA) where: Base-Base interactions energy: -934.142 where: short stacking energy: -396.559 Base-Backbone interact. energy: -0.015 local terms energy: -403.696415 where: bonds (distance) C4'-P energy: -87.276 bonds (distance) P-C4' energy: -88.610 flat angles C4'-P-C4' energy: -90.781 flat angles P-C4'-P energy: -37.341 tors. eta vs tors. theta energy: -99.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -1086.627424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.627424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.627424 (E_RNA) where: Base-Base interactions energy: -712.835 where: short stacking energy: -311.538 Base-Backbone interact. energy: 2.034 local terms energy: -375.826779 where: bonds (distance) C4'-P energy: -77.745 bonds (distance) P-C4' energy: -87.389 flat angles C4'-P-C4' energy: -93.127 flat angles P-C4'-P energy: -47.244 tors. eta vs tors. theta energy: -70.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -880.978915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.978915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.978915 (E_RNA) where: Base-Base interactions energy: -550.389 where: short stacking energy: -269.160 Base-Backbone interact. energy: 2.734 local terms energy: -333.324011 where: bonds (distance) C4'-P energy: -95.300 bonds (distance) P-C4' energy: -91.113 flat angles C4'-P-C4' energy: -63.552 flat angles P-C4'-P energy: -44.476 tors. eta vs tors. theta energy: -38.882 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: 2 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -614.566465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.566465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.566465 (E_RNA) where: Base-Base interactions energy: -352.523 where: short stacking energy: -183.101 Base-Backbone interact. energy: 2.370 local terms energy: -264.413467 where: bonds (distance) C4'-P energy: -60.681 bonds (distance) P-C4' energy: -79.984 flat angles C4'-P-C4' energy: -70.920 flat angles P-C4'-P energy: -32.222 tors. eta vs tors. theta energy: -20.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1856.155049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.155049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.155049 (E_RNA) where: Base-Base interactions energy: -1328.440 where: short stacking energy: -536.013 Base-Backbone interact. energy: -0.759 local terms energy: -526.955964 where: bonds (distance) C4'-P energy: -89.976 bonds (distance) P-C4' energy: -93.984 flat angles C4'-P-C4' energy: -110.329 flat angles P-C4'-P energy: -81.338 tors. eta vs tors. theta energy: -151.330 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: 5 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1751.781811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.781811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.781811 (E_RNA) where: Base-Base interactions energy: -1226.899 where: short stacking energy: -529.226 Base-Backbone interact. energy: -2.513 local terms energy: -522.370062 where: bonds (distance) C4'-P energy: -105.705 bonds (distance) P-C4' energy: -96.188 flat angles C4'-P-C4' energy: -107.223 flat angles P-C4'-P energy: -66.836 tors. eta vs tors. theta energy: -146.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1642.837188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1642.837188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1642.837188 (E_RNA) where: Base-Base interactions energy: -1159.487 where: short stacking energy: -494.432 Base-Backbone interact. energy: -1.615 local terms energy: -481.735175 where: bonds (distance) C4'-P energy: -90.981 bonds (distance) P-C4' energy: -101.486 flat angles C4'-P-C4' energy: -94.053 flat angles P-C4'-P energy: -56.664 tors. eta vs tors. theta energy: -138.550 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: 7 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1589.382196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.382196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.382196 (E_RNA) where: Base-Base interactions energy: -1103.314 where: short stacking energy: -484.782 Base-Backbone interact. energy: -1.343 local terms energy: -484.724503 where: bonds (distance) C4'-P energy: -83.296 bonds (distance) P-C4' energy: -100.868 flat angles C4'-P-C4' energy: -98.314 flat angles P-C4'-P energy: -61.636 tors. eta vs tors. theta energy: -140.611 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: 5, replica: 4 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -1472.274090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.274090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.274090 (E_RNA) where: Base-Base interactions energy: -994.213 where: short stacking energy: -463.353 Base-Backbone interact. energy: -0.613 local terms energy: -477.447733 where: bonds (distance) C4'-P energy: -87.325 bonds (distance) P-C4' energy: -88.715 flat angles C4'-P-C4' energy: -99.298 flat angles P-C4'-P energy: -68.545 tors. eta vs tors. theta energy: -133.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -1391.863457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.863457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.863457 (E_RNA) where: Base-Base interactions energy: -965.003 where: short stacking energy: -414.061 Base-Backbone interact. energy: -0.343 local terms energy: -426.517479 where: bonds (distance) C4'-P energy: -80.244 bonds (distance) P-C4' energy: -86.106 flat angles C4'-P-C4' energy: -98.545 flat angles P-C4'-P energy: -61.314 tors. eta vs tors. theta energy: -100.309 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: 7, replica: 8 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -1342.130475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.130475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.130475 (E_RNA) where: Base-Base interactions energy: -938.420 where: short stacking energy: -379.886 Base-Backbone interact. energy: -0.954 local terms energy: -402.756731 where: bonds (distance) C4'-P energy: -64.299 bonds (distance) P-C4' energy: -81.654 flat angles C4'-P-C4' energy: -92.206 flat angles P-C4'-P energy: -62.394 tors. eta vs tors. theta energy: -102.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -1115.175694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.175694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.175694 (E_RNA) where: Base-Base interactions energy: -728.134 where: short stacking energy: -311.239 Base-Backbone interact. energy: -0.326 local terms energy: -386.716022 where: bonds (distance) C4'-P energy: -70.282 bonds (distance) P-C4' energy: -99.344 flat angles C4'-P-C4' energy: -95.909 flat angles P-C4'-P energy: -55.961 tors. eta vs tors. theta energy: -65.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -918.877836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.877836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.877836 (E_RNA) where: Base-Base interactions energy: -582.077 where: short stacking energy: -271.141 Base-Backbone interact. energy: 2.329 local terms energy: -339.129499 where: bonds (distance) C4'-P energy: -78.264 bonds (distance) P-C4' energy: -88.629 flat angles C4'-P-C4' energy: -73.496 flat angles P-C4'-P energy: -50.761 tors. eta vs tors. theta energy: -47.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -644.989241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.989241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.989241 (E_RNA) where: Base-Base interactions energy: -352.422 where: short stacking energy: -175.287 Base-Backbone interact. energy: 0.441 local terms energy: -293.008452 where: bonds (distance) C4'-P energy: -83.901 bonds (distance) P-C4' energy: -80.844 flat angles C4'-P-C4' energy: -76.128 flat angles P-C4'-P energy: -34.841 tors. eta vs tors. theta energy: -17.294 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: 1, replica: 6 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1867.947516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.947516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.947516 (E_RNA) where: Base-Base interactions energy: -1333.794 where: short stacking energy: -542.437 Base-Backbone interact. energy: -3.574 local terms energy: -530.579333 where: bonds (distance) C4'-P energy: -99.603 bonds (distance) P-C4' energy: -105.268 flat angles C4'-P-C4' energy: -108.539 flat angles P-C4'-P energy: -69.585 tors. eta vs tors. theta energy: -147.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1742.618278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.618278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.618278 (E_RNA) where: Base-Base interactions energy: -1195.278 where: short stacking energy: -516.238 Base-Backbone interact. energy: -4.334 local terms energy: -543.006400 where: bonds (distance) C4'-P energy: -99.997 bonds (distance) P-C4' energy: -99.242 flat angles C4'-P-C4' energy: -115.677 flat angles P-C4'-P energy: -83.702 tors. eta vs tors. theta energy: -144.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1677.030523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.030523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.030523 (E_RNA) where: Base-Base interactions energy: -1167.697 where: short stacking energy: -511.911 Base-Backbone interact. energy: -2.206 local terms energy: -507.127577 where: bonds (distance) C4'-P energy: -91.043 bonds (distance) P-C4' energy: -93.016 flat angles C4'-P-C4' energy: -109.730 flat angles P-C4'-P energy: -79.087 tors. eta vs tors. theta energy: -134.251 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: 7 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -1607.293558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.293558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.293558 (E_RNA) where: Base-Base interactions energy: -1126.463 where: short stacking energy: -457.906 Base-Backbone interact. energy: -2.711 local terms energy: -478.119850 where: bonds (distance) C4'-P energy: -90.920 bonds (distance) P-C4' energy: -87.270 flat angles C4'-P-C4' energy: -110.615 flat angles P-C4'-P energy: -66.004 tors. eta vs tors. theta energy: -123.311 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: 4 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -1498.524691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.524691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.524691 (E_RNA) where: Base-Base interactions energy: -1023.113 where: short stacking energy: -444.290 Base-Backbone interact. energy: -0.982 local terms energy: -474.430149 where: bonds (distance) C4'-P energy: -94.632 bonds (distance) P-C4' energy: -88.129 flat angles C4'-P-C4' energy: -109.432 flat angles P-C4'-P energy: -60.833 tors. eta vs tors. theta energy: -121.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -1437.651610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.651610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.651610 (E_RNA) where: Base-Base interactions energy: -979.138 where: short stacking energy: -414.521 Base-Backbone interact. energy: -1.556 local terms energy: -456.958094 where: bonds (distance) C4'-P energy: -89.335 bonds (distance) P-C4' energy: -91.120 flat angles C4'-P-C4' energy: -98.162 flat angles P-C4'-P energy: -65.484 tors. eta vs tors. theta energy: -112.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -1303.430511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.430511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.430511 (E_RNA) where: Base-Base interactions energy: -929.238 where: short stacking energy: -418.566 Base-Backbone interact. energy: -0.980 local terms energy: -373.212116 where: bonds (distance) C4'-P energy: -69.483 bonds (distance) P-C4' energy: -62.514 flat angles C4'-P-C4' energy: -89.460 flat angles P-C4'-P energy: -46.337 tors. eta vs tors. theta energy: -105.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -1109.422710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.422710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.422710 (E_RNA) where: Base-Base interactions energy: -725.333 where: short stacking energy: -306.664 Base-Backbone interact. energy: -0.687 local terms energy: -383.402544 where: bonds (distance) C4'-P energy: -89.096 bonds (distance) P-C4' energy: -96.628 flat angles C4'-P-C4' energy: -79.219 flat angles P-C4'-P energy: -48.382 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: 9, replica: 10 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -947.599594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.599594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.599594 (E_RNA) where: Base-Base interactions energy: -616.878 where: short stacking energy: -275.274 Base-Backbone interact. energy: -0.832 local terms energy: -329.890059 where: bonds (distance) C4'-P energy: -78.957 bonds (distance) P-C4' energy: -74.417 flat angles C4'-P-C4' energy: -93.030 flat angles P-C4'-P energy: -43.241 tors. eta vs tors. theta energy: -40.245 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: 2 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -653.460609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.460609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.460609 (E_RNA) where: Base-Base interactions energy: -366.121 where: short stacking energy: -194.485 Base-Backbone interact. energy: -2.262 local terms energy: -285.078459 where: bonds (distance) C4'-P energy: -71.787 bonds (distance) P-C4' energy: -85.282 flat angles C4'-P-C4' energy: -67.916 flat angles P-C4'-P energy: -36.941 tors. eta vs tors. theta energy: -23.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1897.527570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1897.527570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1897.527570 (E_RNA) where: Base-Base interactions energy: -1331.010 where: short stacking energy: -560.562 Base-Backbone interact. energy: -0.972 local terms energy: -565.545220 where: bonds (distance) C4'-P energy: -101.837 bonds (distance) P-C4' energy: -108.334 flat angles C4'-P-C4' energy: -114.529 flat angles P-C4'-P energy: -82.602 tors. eta vs tors. theta energy: -158.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1740.215874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.215874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.215874 (E_RNA) where: Base-Base interactions energy: -1215.589 where: short stacking energy: -518.415 Base-Backbone interact. energy: 0.250 local terms energy: -524.877281 where: bonds (distance) C4'-P energy: -100.602 bonds (distance) P-C4' energy: -96.882 flat angles C4'-P-C4' energy: -103.955 flat angles P-C4'-P energy: -85.073 tors. eta vs tors. theta energy: -138.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1623.878651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.878651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.878651 (E_RNA) where: Base-Base interactions energy: -1114.267 where: short stacking energy: -488.332 Base-Backbone interact. energy: -1.026 local terms energy: -508.585140 where: bonds (distance) C4'-P energy: -95.041 bonds (distance) P-C4' energy: -98.642 flat angles C4'-P-C4' energy: -111.551 flat angles P-C4'-P energy: -67.860 tors. eta vs tors. theta energy: -135.490 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: 7 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1602.282713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.282713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.282713 (E_RNA) where: Base-Base interactions energy: -1111.187 where: short stacking energy: -469.935 Base-Backbone interact. energy: -3.658 local terms energy: -487.437820 where: bonds (distance) C4'-P energy: -88.451 bonds (distance) P-C4' energy: -104.342 flat angles C4'-P-C4' energy: -93.196 flat angles P-C4'-P energy: -70.316 tors. eta vs tors. theta energy: -131.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -1522.130687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.130687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.130687 (E_RNA) where: Base-Base interactions energy: -1055.387 where: short stacking energy: -466.918 Base-Backbone interact. energy: -1.977 local terms energy: -464.766510 where: bonds (distance) C4'-P energy: -84.984 bonds (distance) P-C4' energy: -70.916 flat angles C4'-P-C4' energy: -107.039 flat angles P-C4'-P energy: -69.712 tors. eta vs tors. theta energy: -132.115 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: 9 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -1459.407489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.407489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.407489 (E_RNA) where: Base-Base interactions energy: -1030.825 where: short stacking energy: -431.200 Base-Backbone interact. energy: -0.590 local terms energy: -427.992365 where: bonds (distance) C4'-P energy: -75.328 bonds (distance) P-C4' energy: -83.858 flat angles C4'-P-C4' energy: -99.037 flat angles P-C4'-P energy: -53.709 tors. eta vs tors. theta energy: -116.061 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: 244 Temperature: 1.200000 Total energy: -1302.439360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.439360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.439360 (E_RNA) where: Base-Base interactions energy: -904.537 where: short stacking energy: -374.903 Base-Backbone interact. energy: -1.569 local terms energy: -396.333398 where: bonds (distance) C4'-P energy: -68.841 bonds (distance) P-C4' energy: -75.456 flat angles C4'-P-C4' energy: -85.268 flat angles P-C4'-P energy: -74.138 tors. eta vs tors. theta energy: -92.631 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: 1 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -1126.773251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.773251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.773251 (E_RNA) where: Base-Base interactions energy: -756.104 where: short stacking energy: -333.123 Base-Backbone interact. energy: 1.256 local terms energy: -371.924763 where: bonds (distance) C4'-P energy: -77.337 bonds (distance) P-C4' energy: -86.277 flat angles C4'-P-C4' energy: -80.345 flat angles P-C4'-P energy: -53.145 tors. eta vs tors. theta energy: -74.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -884.190880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.190880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.190880 (E_RNA) where: Base-Base interactions energy: -557.954 where: short stacking energy: -255.982 Base-Backbone interact. energy: 1.632 local terms energy: -327.869354 where: bonds (distance) C4'-P energy: -71.473 bonds (distance) P-C4' energy: -90.823 flat angles C4'-P-C4' energy: -68.803 flat angles P-C4'-P energy: -47.887 tors. eta vs tors. theta energy: -48.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -669.768143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.768143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.768143 (E_RNA) where: Base-Base interactions energy: -398.640 where: short stacking energy: -197.285 Base-Backbone interact. energy: -2.850 local terms energy: -268.278151 where: bonds (distance) C4'-P energy: -71.126 bonds (distance) P-C4' energy: -71.153 flat angles C4'-P-C4' energy: -63.411 flat angles P-C4'-P energy: -49.820 tors. eta vs tors. theta energy: -12.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1878.991501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.991501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.991501 (E_RNA) where: Base-Base interactions energy: -1326.528 where: short stacking energy: -560.711 Base-Backbone interact. energy: -1.864 local terms energy: -550.600372 where: bonds (distance) C4'-P energy: -96.441 bonds (distance) P-C4' energy: -103.525 flat angles C4'-P-C4' energy: -116.117 flat angles P-C4'-P energy: -77.288 tors. eta vs tors. theta energy: -157.229 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: 2, replica: 5 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1762.904034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.904034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.904034 (E_RNA) where: Base-Base interactions energy: -1225.602 where: short stacking energy: -529.208 Base-Backbone interact. energy: -0.835 local terms energy: -536.466809 where: bonds (distance) C4'-P energy: -101.852 bonds (distance) P-C4' energy: -102.060 flat angles C4'-P-C4' energy: -113.857 flat angles P-C4'-P energy: -70.793 tors. eta vs tors. theta energy: -147.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1635.507680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.507680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.507680 (E_RNA) where: Base-Base interactions energy: -1099.222 where: short stacking energy: -469.729 Base-Backbone interact. energy: -2.768 local terms energy: -533.517344 where: bonds (distance) C4'-P energy: -110.182 bonds (distance) P-C4' energy: -98.588 flat angles C4'-P-C4' energy: -108.841 flat angles P-C4'-P energy: -79.057 tors. eta vs tors. theta energy: -136.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1596.209021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.209021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.209021 (E_RNA) where: Base-Base interactions energy: -1130.453 where: short stacking energy: -481.260 Base-Backbone interact. energy: -0.206 local terms energy: -465.550104 where: bonds (distance) C4'-P energy: -67.397 bonds (distance) P-C4' energy: -99.493 flat angles C4'-P-C4' energy: -105.042 flat angles P-C4'-P energy: -65.949 tors. eta vs tors. theta energy: -127.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -1519.022328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.022328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.022328 (E_RNA) where: Base-Base interactions energy: -1026.521 where: short stacking energy: -440.604 Base-Backbone interact. energy: -0.942 local terms energy: -491.559249 where: bonds (distance) C4'-P energy: -93.859 bonds (distance) P-C4' energy: -86.589 flat angles C4'-P-C4' energy: -102.117 flat angles P-C4'-P energy: -72.683 tors. eta vs tors. theta energy: -136.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -1402.013789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.013789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.013789 (E_RNA) where: Base-Base interactions energy: -977.524 where: short stacking energy: -421.913 Base-Backbone interact. energy: -0.915 local terms energy: -423.575411 where: bonds (distance) C4'-P energy: -68.311 bonds (distance) P-C4' energy: -95.633 flat angles C4'-P-C4' energy: -91.284 flat angles P-C4'-P energy: -64.222 tors. eta vs tors. theta energy: -104.126 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: 8 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -1322.514170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1322.514170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1322.514170 (E_RNA) where: Base-Base interactions energy: -905.399 where: short stacking energy: -378.900 Base-Backbone interact. energy: 0.115 local terms energy: -417.229576 where: bonds (distance) C4'-P energy: -93.233 bonds (distance) P-C4' energy: -70.226 flat angles C4'-P-C4' energy: -99.669 flat angles P-C4'-P energy: -58.029 tors. eta vs tors. theta energy: -96.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -1121.003769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.003769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.003769 (E_RNA) where: Base-Base interactions energy: -725.647 where: short stacking energy: -336.845 Base-Backbone interact. energy: -1.486 local terms energy: -393.870382 where: bonds (distance) C4'-P energy: -93.878 bonds (distance) P-C4' energy: -83.792 flat angles C4'-P-C4' energy: -96.731 flat angles P-C4'-P energy: -49.036 tors. eta vs tors. theta energy: -70.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -914.079661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.079661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.079661 (E_RNA) where: Base-Base interactions energy: -575.907 where: short stacking energy: -275.926 Base-Backbone interact. energy: -2.332 local terms energy: -335.840649 where: bonds (distance) C4'-P energy: -75.447 bonds (distance) P-C4' energy: -77.926 flat angles C4'-P-C4' energy: -80.867 flat angles P-C4'-P energy: -52.602 tors. eta vs tors. theta energy: -48.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -632.681701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.681701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.681701 (E_RNA) where: Base-Base interactions energy: -359.290 where: short stacking energy: -205.266 Base-Backbone interact. energy: 0.611 local terms energy: -274.002967 where: bonds (distance) C4'-P energy: -64.474 bonds (distance) P-C4' energy: -72.926 flat angles C4'-P-C4' energy: -85.346 flat angles P-C4'-P energy: -47.946 tors. eta vs tors. theta energy: -3.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1846.664680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1846.664680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1846.664680 (E_RNA) where: Base-Base interactions energy: -1301.306 where: short stacking energy: -543.695 Base-Backbone interact. energy: -3.947 local terms energy: -541.412093 where: bonds (distance) C4'-P energy: -102.585 bonds (distance) P-C4' energy: -98.121 flat angles C4'-P-C4' energy: -110.608 flat angles P-C4'-P energy: -74.958 tors. eta vs tors. theta energy: -155.139 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: 5 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1784.831614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.831614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.831614 (E_RNA) where: Base-Base interactions energy: -1242.862 where: short stacking energy: -531.105 Base-Backbone interact. energy: 2.414 local terms energy: -544.383210 where: bonds (distance) C4'-P energy: -104.482 bonds (distance) P-C4' energy: -101.584 flat angles C4'-P-C4' energy: -113.544 flat angles P-C4'-P energy: -74.095 tors. eta vs tors. theta energy: -150.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1663.705889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.705889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.705889 (E_RNA) where: Base-Base interactions energy: -1143.002 where: short stacking energy: -499.115 Base-Backbone interact. energy: -0.852 local terms energy: -519.852213 where: bonds (distance) C4'-P energy: -94.593 bonds (distance) P-C4' energy: -106.554 flat angles C4'-P-C4' energy: -109.444 flat angles P-C4'-P energy: -64.736 tors. eta vs tors. theta energy: -144.526 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: 7 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1572.016110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.016110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.016110 (E_RNA) where: Base-Base interactions energy: -1097.289 where: short stacking energy: -477.990 Base-Backbone interact. energy: -2.402 local terms energy: -472.325168 where: bonds (distance) C4'-P energy: -83.218 bonds (distance) P-C4' energy: -96.551 flat angles C4'-P-C4' energy: -94.223 flat angles P-C4'-P energy: -71.002 tors. eta vs tors. theta energy: -127.331 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: 4 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -1485.569724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.569724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.569724 (E_RNA) where: Base-Base interactions energy: -1006.038 where: short stacking energy: -475.714 Base-Backbone interact. energy: -3.382 local terms energy: -476.150283 where: bonds (distance) C4'-P energy: -94.585 bonds (distance) P-C4' energy: -85.181 flat angles C4'-P-C4' energy: -102.910 flat angles P-C4'-P energy: -59.309 tors. eta vs tors. theta energy: -134.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -1405.653337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.653337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.653337 (E_RNA) where: Base-Base interactions energy: -971.026 where: short stacking energy: -428.867 Base-Backbone interact. energy: -2.020 local terms energy: -432.607878 where: bonds (distance) C4'-P energy: -78.676 bonds (distance) P-C4' energy: -83.075 flat angles C4'-P-C4' energy: -101.967 flat angles P-C4'-P energy: -51.796 tors. eta vs tors. theta energy: -117.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -1345.840245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.840245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.840245 (E_RNA) where: Base-Base interactions energy: -933.729 where: short stacking energy: -398.220 Base-Backbone interact. energy: -2.006 local terms energy: -410.105242 where: bonds (distance) C4'-P energy: -89.766 bonds (distance) P-C4' energy: -79.541 flat angles C4'-P-C4' energy: -90.657 flat angles P-C4'-P energy: -52.827 tors. eta vs tors. theta energy: -97.314 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: 1 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -1112.633217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.633217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.633217 (E_RNA) where: Base-Base interactions energy: -721.388 where: short stacking energy: -330.370 Base-Backbone interact. energy: -0.776 local terms energy: -390.469620 where: bonds (distance) C4'-P energy: -80.914 bonds (distance) P-C4' energy: -79.719 flat angles C4'-P-C4' energy: -78.363 flat angles P-C4'-P energy: -68.488 tors. eta vs tors. theta energy: -82.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -845.891599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.891599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.891599 (E_RNA) where: Base-Base interactions energy: -521.458 where: short stacking energy: -232.222 Base-Backbone interact. energy: 0.526 local terms energy: -324.959215 where: bonds (distance) C4'-P energy: -81.402 bonds (distance) P-C4' energy: -84.950 flat angles C4'-P-C4' energy: -80.946 flat angles P-C4'-P energy: -46.934 tors. eta vs tors. theta energy: -30.727 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: 2 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -610.277103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.277103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.277103 (E_RNA) where: Base-Base interactions energy: -343.682 where: short stacking energy: -186.677 Base-Backbone interact. energy: -1.551 local terms energy: -265.043448 where: bonds (distance) C4'-P energy: -70.161 bonds (distance) P-C4' energy: -79.509 flat angles C4'-P-C4' energy: -75.972 flat angles P-C4'-P energy: -40.069 tors. eta vs tors. theta energy: 0.668 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: 1, replica: 6 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1855.798114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.798114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.798114 (E_RNA) where: Base-Base interactions energy: -1306.425 where: short stacking energy: -549.800 Base-Backbone interact. energy: -1.281 local terms energy: -548.091723 where: bonds (distance) C4'-P energy: -102.469 bonds (distance) P-C4' energy: -96.412 flat angles C4'-P-C4' energy: -113.026 flat angles P-C4'-P energy: -80.093 tors. eta vs tors. theta energy: -156.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1749.844343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.844343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.844343 (E_RNA) where: Base-Base interactions energy: -1216.831 where: short stacking energy: -524.629 Base-Backbone interact. energy: 0.964 local terms energy: -533.977734 where: bonds (distance) C4'-P energy: -109.153 bonds (distance) P-C4' energy: -93.645 flat angles C4'-P-C4' energy: -108.925 flat angles P-C4'-P energy: -73.878 tors. eta vs tors. theta energy: -148.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1640.493569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.493569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.493569 (E_RNA) where: Base-Base interactions energy: -1131.227 where: short stacking energy: -497.076 Base-Backbone interact. energy: -2.931 local terms energy: -506.335589 where: bonds (distance) C4'-P energy: -90.579 bonds (distance) P-C4' energy: -92.547 flat angles C4'-P-C4' energy: -111.440 flat angles P-C4'-P energy: -71.589 tors. eta vs tors. theta energy: -140.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1593.747008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.747008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.747008 (E_RNA) where: Base-Base interactions energy: -1114.909 where: short stacking energy: -444.816 Base-Backbone interact. energy: -1.875 local terms energy: -476.963016 where: bonds (distance) C4'-P energy: -85.275 bonds (distance) P-C4' energy: -91.624 flat angles C4'-P-C4' energy: -95.704 flat angles P-C4'-P energy: -72.109 tors. eta vs tors. theta energy: -132.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -1509.199958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.199958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.199958 (E_RNA) where: Base-Base interactions energy: -1028.967 where: short stacking energy: -440.954 Base-Backbone interact. energy: -1.708 local terms energy: -478.524491 where: bonds (distance) C4'-P energy: -93.107 bonds (distance) P-C4' energy: -99.535 flat angles C4'-P-C4' energy: -94.438 flat angles P-C4'-P energy: -64.355 tors. eta vs tors. theta energy: -127.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -1405.849816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.849816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.849816 (E_RNA) where: Base-Base interactions energy: -972.178 where: short stacking energy: -422.833 Base-Backbone interact. energy: -1.008 local terms energy: -432.663967 where: bonds (distance) C4'-P energy: -74.044 bonds (distance) P-C4' energy: -77.255 flat angles C4'-P-C4' energy: -102.487 flat angles P-C4'-P energy: -59.802 tors. eta vs tors. theta energy: -119.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -1328.740058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.740058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.740058 (E_RNA) where: Base-Base interactions energy: -908.764 where: short stacking energy: -368.265 Base-Backbone interact. energy: 1.303 local terms energy: -421.278355 where: bonds (distance) C4'-P energy: -83.809 bonds (distance) P-C4' energy: -86.187 flat angles C4'-P-C4' energy: -95.385 flat angles P-C4'-P energy: -68.007 tors. eta vs tors. theta energy: -87.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -1115.961994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.961994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.961994 (E_RNA) where: Base-Base interactions energy: -737.632 where: short stacking energy: -323.103 Base-Backbone interact. energy: -2.111 local terms energy: -376.219630 where: bonds (distance) C4'-P energy: -80.021 bonds (distance) P-C4' energy: -69.096 flat angles C4'-P-C4' energy: -85.601 flat angles P-C4'-P energy: -59.850 tors. eta vs tors. theta energy: -81.652 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: 10 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -828.373850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.373850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.373850 (E_RNA) where: Base-Base interactions energy: -505.638 where: short stacking energy: -246.641 Base-Backbone interact. energy: 0.185 local terms energy: -322.921317 where: bonds (distance) C4'-P energy: -78.841 bonds (distance) P-C4' energy: -82.546 flat angles C4'-P-C4' energy: -68.235 flat angles P-C4'-P energy: -47.057 tors. eta vs tors. theta energy: -46.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -651.784870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.784870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.784870 (E_RNA) where: Base-Base interactions energy: -329.880 where: short stacking energy: -205.901 Base-Backbone interact. energy: -2.759 local terms energy: -319.146059 where: bonds (distance) C4'-P energy: -90.758 bonds (distance) P-C4' energy: -89.362 flat angles C4'-P-C4' energy: -63.604 flat angles P-C4'-P energy: -45.924 tors. eta vs tors. theta energy: -29.498 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: 6 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1848.496362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.496362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.496362 (E_RNA) where: Base-Base interactions energy: -1330.911 where: short stacking energy: -555.287 Base-Backbone interact. energy: -3.717 local terms energy: -513.867824 where: bonds (distance) C4'-P energy: -84.597 bonds (distance) P-C4' energy: -95.838 flat angles C4'-P-C4' energy: -109.866 flat angles P-C4'-P energy: -78.174 tors. eta vs tors. theta energy: -145.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1767.994507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.994507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.994507 (E_RNA) where: Base-Base interactions energy: -1227.829 where: short stacking energy: -527.534 Base-Backbone interact. energy: 1.498 local terms energy: -541.664134 where: bonds (distance) C4'-P energy: -96.329 bonds (distance) P-C4' energy: -103.724 flat angles C4'-P-C4' energy: -112.560 flat angles P-C4'-P energy: -78.602 tors. eta vs tors. theta energy: -150.449 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: 248 Temperature: 1.000000 Total energy: -1654.417033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.417033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.417033 (E_RNA) where: Base-Base interactions energy: -1163.427 where: short stacking energy: -503.761 Base-Backbone interact. energy: -1.969 local terms energy: -489.021418 where: bonds (distance) C4'-P energy: -86.870 bonds (distance) P-C4' energy: -95.084 flat angles C4'-P-C4' energy: -105.880 flat angles P-C4'-P energy: -64.517 tors. eta vs tors. theta energy: -136.670 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: 4, replica: 7 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -1625.276898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.276898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.276898 (E_RNA) where: Base-Base interactions energy: -1126.747 where: short stacking energy: -458.604 Base-Backbone interact. energy: -2.412 local terms energy: -496.117974 where: bonds (distance) C4'-P energy: -98.175 bonds (distance) P-C4' energy: -85.804 flat angles C4'-P-C4' energy: -109.597 flat angles P-C4'-P energy: -70.721 tors. eta vs tors. theta energy: -131.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -1486.551333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1486.551333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1486.551333 (E_RNA) where: Base-Base interactions energy: -1025.073 where: short stacking energy: -441.242 Base-Backbone interact. energy: -2.379 local terms energy: -459.099281 where: bonds (distance) C4'-P energy: -70.812 bonds (distance) P-C4' energy: -91.340 flat angles C4'-P-C4' energy: -104.408 flat angles P-C4'-P energy: -72.262 tors. eta vs tors. theta energy: -120.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -1413.216709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1413.216709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1413.216709 (E_RNA) where: Base-Base interactions energy: -1014.701 where: short stacking energy: -446.146 Base-Backbone interact. energy: 0.834 local terms energy: -399.349405 where: bonds (distance) C4'-P energy: -62.097 bonds (distance) P-C4' energy: -75.344 flat angles C4'-P-C4' energy: -94.459 flat angles P-C4'-P energy: -55.514 tors. eta vs tors. theta energy: -111.934 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: 1 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -1164.897352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.897352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.897352 (E_RNA) where: Base-Base interactions energy: -778.507 where: short stacking energy: -351.303 Base-Backbone interact. energy: -1.204 local terms energy: -385.186841 where: bonds (distance) C4'-P energy: -80.937 bonds (distance) P-C4' energy: -76.176 flat angles C4'-P-C4' energy: -97.290 flat angles P-C4'-P energy: -49.044 tors. eta vs tors. theta energy: -81.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -1248.302265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.302265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.302265 (E_RNA) where: Base-Base interactions energy: -840.820 where: short stacking energy: -371.436 Base-Backbone interact. energy: 2.316 local terms energy: -409.798723 where: bonds (distance) C4'-P energy: -86.451 bonds (distance) P-C4' energy: -90.504 flat angles C4'-P-C4' energy: -81.756 flat angles P-C4'-P energy: -62.495 tors. eta vs tors. theta energy: -88.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -845.005397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.005397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.005397 (E_RNA) where: Base-Base interactions energy: -519.295 where: short stacking energy: -256.049 Base-Backbone interact. energy: 2.172 local terms energy: -327.882548 where: bonds (distance) C4'-P energy: -71.523 bonds (distance) P-C4' energy: -87.688 flat angles C4'-P-C4' energy: -87.881 flat angles P-C4'-P energy: -45.813 tors. eta vs tors. theta energy: -34.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -628.563152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.563152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.563152 (E_RNA) where: Base-Base interactions energy: -341.521 where: short stacking energy: -168.068 Base-Backbone interact. energy: 2.672 local terms energy: -289.714616 where: bonds (distance) C4'-P energy: -93.380 bonds (distance) P-C4' energy: -79.150 flat angles C4'-P-C4' energy: -73.990 flat angles P-C4'-P energy: -39.587 tors. eta vs tors. theta energy: -3.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1854.924273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.924273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.924273 (E_RNA) where: Base-Base interactions energy: -1306.210 where: short stacking energy: -556.439 Base-Backbone interact. energy: -2.731 local terms energy: -545.982932 where: bonds (distance) C4'-P energy: -99.593 bonds (distance) P-C4' energy: -105.984 flat angles C4'-P-C4' energy: -115.112 flat angles P-C4'-P energy: -74.016 tors. eta vs tors. theta energy: -151.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1785.309235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1785.309235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1785.309235 (E_RNA) where: Base-Base interactions energy: -1253.331 where: short stacking energy: -552.047 Base-Backbone interact. energy: -4.810 local terms energy: -527.168532 where: bonds (distance) C4'-P energy: -87.885 bonds (distance) P-C4' energy: -96.050 flat angles C4'-P-C4' energy: -121.597 flat angles P-C4'-P energy: -73.670 tors. eta vs tors. theta energy: -147.967 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: 3 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1641.095449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.095449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.095449 (E_RNA) where: Base-Base interactions energy: -1141.992 where: short stacking energy: -507.247 Base-Backbone interact. energy: 1.572 local terms energy: -500.676049 where: bonds (distance) C4'-P energy: -97.741 bonds (distance) P-C4' energy: -86.436 flat angles C4'-P-C4' energy: -102.075 flat angles P-C4'-P energy: -75.244 tors. eta vs tors. theta energy: -139.180 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: 249 Temperature: 1.050000 Total energy: -1650.018527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.018527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.018527 (E_RNA) where: Base-Base interactions energy: -1152.731 where: short stacking energy: -485.551 Base-Backbone interact. energy: -3.267 local terms energy: -494.020531 where: bonds (distance) C4'-P energy: -93.670 bonds (distance) P-C4' energy: -92.123 flat angles C4'-P-C4' energy: -101.510 flat angles P-C4'-P energy: -73.397 tors. eta vs tors. theta energy: -133.321 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: 4 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -1488.635636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.635636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.635636 (E_RNA) where: Base-Base interactions energy: -1019.266 where: short stacking energy: -462.813 Base-Backbone interact. energy: 1.054 local terms energy: -470.424281 where: bonds (distance) C4'-P energy: -87.185 bonds (distance) P-C4' energy: -88.871 flat angles C4'-P-C4' energy: -98.173 flat angles P-C4'-P energy: -65.648 tors. eta vs tors. theta energy: -130.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -1417.430344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.430344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.430344 (E_RNA) where: Base-Base interactions energy: -980.190 where: short stacking energy: -425.938 Base-Backbone interact. energy: -1.081 local terms energy: -436.158832 where: bonds (distance) C4'-P energy: -93.433 bonds (distance) P-C4' energy: -72.332 flat angles C4'-P-C4' energy: -97.506 flat angles P-C4'-P energy: -55.951 tors. eta vs tors. theta energy: -116.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -1161.247890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.247890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.247890 (E_RNA) where: Base-Base interactions energy: -767.481 where: short stacking energy: -340.508 Base-Backbone interact. energy: -1.706 local terms energy: -392.060512 where: bonds (distance) C4'-P energy: -72.484 bonds (distance) P-C4' energy: -79.720 flat angles C4'-P-C4' energy: -92.422 flat angles P-C4'-P energy: -68.384 tors. eta vs tors. theta energy: -79.049 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: 8 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -1294.293370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.293370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.293370 (E_RNA) where: Base-Base interactions energy: -861.044 where: short stacking energy: -381.948 Base-Backbone interact. energy: -1.978 local terms energy: -431.271653 where: bonds (distance) C4'-P energy: -107.128 bonds (distance) P-C4' energy: -80.880 flat angles C4'-P-C4' energy: -85.957 flat angles P-C4'-P energy: -59.155 tors. eta vs tors. theta energy: -98.152 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: 249 Temperature: 1.300000 Total energy: -818.123095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.123095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.123095 (E_RNA) where: Base-Base interactions energy: -522.714 where: short stacking energy: -234.957 Base-Backbone interact. energy: 0.903 local terms energy: -296.312589 where: bonds (distance) C4'-P energy: -59.921 bonds (distance) P-C4' energy: -101.074 flat angles C4'-P-C4' energy: -69.739 flat angles P-C4'-P energy: -40.227 tors. eta vs tors. theta energy: -25.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -656.051697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.051697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.051697 (E_RNA) where: Base-Base interactions energy: -367.174 where: short stacking energy: -179.194 Base-Backbone interact. energy: -1.531 local terms energy: -287.346010 where: bonds (distance) C4'-P energy: -76.727 bonds (distance) P-C4' energy: -84.158 flat angles C4'-P-C4' energy: -79.696 flat angles P-C4'-P energy: -37.285 tors. eta vs tors. theta energy: -9.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1860.513735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.513735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.513735 (E_RNA) where: Base-Base interactions energy: -1309.959 where: short stacking energy: -549.104 Base-Backbone interact. energy: -2.655 local terms energy: -547.899684 where: bonds (distance) C4'-P energy: -102.243 bonds (distance) P-C4' energy: -108.313 flat angles C4'-P-C4' energy: -111.704 flat angles P-C4'-P energy: -69.891 tors. eta vs tors. theta energy: -155.749 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: 250 Temperature: 0.950000 Total energy: -1738.161378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.161378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.161378 (E_RNA) where: Base-Base interactions energy: -1213.205 where: short stacking energy: -509.220 Base-Backbone interact. energy: -4.496 local terms energy: -520.460740 where: bonds (distance) C4'-P energy: -89.230 bonds (distance) P-C4' energy: -96.988 flat angles C4'-P-C4' energy: -112.595 flat angles P-C4'-P energy: -73.739 tors. eta vs tors. theta energy: -147.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1644.060246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.060246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.060246 (E_RNA) where: Base-Base interactions energy: -1136.101 where: short stacking energy: -471.767 Base-Backbone interact. energy: -1.162 local terms energy: -506.796961 where: bonds (distance) C4'-P energy: -88.822 bonds (distance) P-C4' energy: -95.287 flat angles C4'-P-C4' energy: -113.718 flat angles P-C4'-P energy: -78.927 tors. eta vs tors. theta energy: -130.042 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: 7 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1611.834900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.834900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.834900 (E_RNA) where: Base-Base interactions energy: -1113.330 where: short stacking energy: -477.483 Base-Backbone interact. energy: -1.622 local terms energy: -496.883484 where: bonds (distance) C4'-P energy: -81.086 bonds (distance) P-C4' energy: -91.812 flat angles C4'-P-C4' energy: -111.872 flat angles P-C4'-P energy: -77.005 tors. eta vs tors. theta energy: -135.109 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: 4 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -1489.758269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.758269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.758269 (E_RNA) where: Base-Base interactions energy: -1025.365 where: short stacking energy: -443.536 Base-Backbone interact. energy: -2.649 local terms energy: -461.744359 where: bonds (distance) C4'-P energy: -76.697 bonds (distance) P-C4' energy: -92.919 flat angles C4'-P-C4' energy: -97.424 flat angles P-C4'-P energy: -63.310 tors. eta vs tors. theta energy: -131.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -1451.066024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.066024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.066024 (E_RNA) where: Base-Base interactions energy: -993.584 where: short stacking energy: -422.338 Base-Backbone interact. energy: 0.560 local terms energy: -458.042017 where: bonds (distance) C4'-P energy: -70.156 bonds (distance) P-C4' energy: -82.960 flat angles C4'-P-C4' energy: -109.381 flat angles P-C4'-P energy: -74.763 tors. eta vs tors. theta energy: -120.783 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: 7, replica: 8 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -1345.424028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.424028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.424028 (E_RNA) where: Base-Base interactions energy: -917.535 where: short stacking energy: -381.909 Base-Backbone interact. energy: -1.748 local terms energy: -426.140830 where: bonds (distance) C4'-P energy: -82.993 bonds (distance) P-C4' energy: -85.092 flat angles C4'-P-C4' energy: -91.184 flat angles P-C4'-P energy: -57.825 tors. eta vs tors. theta energy: -109.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -1124.568180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.568180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.568180 (E_RNA) where: Base-Base interactions energy: -742.159 where: short stacking energy: -319.391 Base-Backbone interact. energy: -0.434 local terms energy: -381.975102 where: bonds (distance) C4'-P energy: -83.044 bonds (distance) P-C4' energy: -71.111 flat angles C4'-P-C4' energy: -95.548 flat angles P-C4'-P energy: -55.649 tors. eta vs tors. theta energy: -76.623 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: 250 Temperature: 1.300000 Total energy: -831.015260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.015260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.015260 (E_RNA) where: Base-Base interactions energy: -510.336 where: short stacking energy: -248.625 Base-Backbone interact. energy: -0.919 local terms energy: -319.759994 where: bonds (distance) C4'-P energy: -65.054 bonds (distance) P-C4' energy: -91.032 flat angles C4'-P-C4' energy: -77.845 flat angles P-C4'-P energy: -41.810 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: 2 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -635.200782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.200782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.200782 (E_RNA) where: Base-Base interactions energy: -377.823 where: short stacking energy: -194.688 Base-Backbone interact. energy: -0.143 local terms energy: -257.234986 where: bonds (distance) C4'-P energy: -65.828 bonds (distance) P-C4' energy: -76.631 flat angles C4'-P-C4' energy: -64.409 flat angles P-C4'-P energy: -44.113 tors. eta vs tors. theta energy: -6.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1860.503976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.503976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.503976 (E_RNA) where: Base-Base interactions energy: -1325.528 where: short stacking energy: -560.971 Base-Backbone interact. energy: -2.731 local terms energy: -532.245152 where: bonds (distance) C4'-P energy: -94.758 bonds (distance) P-C4' energy: -101.355 flat angles C4'-P-C4' energy: -106.806 flat angles P-C4'-P energy: -77.138 tors. eta vs tors. theta energy: -152.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1762.982463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.982463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.982463 (E_RNA) where: Base-Base interactions energy: -1237.906 where: short stacking energy: -526.347 Base-Backbone interact. energy: -2.346 local terms energy: -522.730477 where: bonds (distance) C4'-P energy: -95.144 bonds (distance) P-C4' energy: -91.090 flat angles C4'-P-C4' energy: -118.892 flat angles P-C4'-P energy: -67.855 tors. eta vs tors. theta energy: -149.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1633.907624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.907624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.907624 (E_RNA) where: Base-Base interactions energy: -1142.040 where: short stacking energy: -493.217 Base-Backbone interact. energy: -0.733 local terms energy: -491.134360 where: bonds (distance) C4'-P energy: -99.132 bonds (distance) P-C4' energy: -80.467 flat angles C4'-P-C4' energy: -105.299 flat angles P-C4'-P energy: -73.026 tors. eta vs tors. theta energy: -133.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1610.623280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.623280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.623280 (E_RNA) where: Base-Base interactions energy: -1144.179 where: short stacking energy: -476.794 Base-Backbone interact. energy: -2.943 local terms energy: -463.501675 where: bonds (distance) C4'-P energy: -72.420 bonds (distance) P-C4' energy: -86.467 flat angles C4'-P-C4' energy: -110.468 flat angles P-C4'-P energy: -65.980 tors. eta vs tors. theta energy: -128.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -1493.471764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.471764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.471764 (E_RNA) where: Base-Base interactions energy: -1026.957 where: short stacking energy: -469.500 Base-Backbone interact. energy: -1.521 local terms energy: -464.993674 where: bonds (distance) C4'-P energy: -84.017 bonds (distance) P-C4' energy: -82.771 flat angles C4'-P-C4' energy: -105.376 flat angles P-C4'-P energy: -67.037 tors. eta vs tors. theta energy: -125.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -1472.861720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.861720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.861720 (E_RNA) where: Base-Base interactions energy: -993.745 where: short stacking energy: -410.096 Base-Backbone interact. energy: -2.387 local terms energy: -476.729653 where: bonds (distance) C4'-P energy: -85.480 bonds (distance) P-C4' energy: -101.729 flat angles C4'-P-C4' energy: -98.754 flat angles P-C4'-P energy: -66.597 tors. eta vs tors. theta energy: -124.169 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: 7, replica: 8 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -1402.786712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.786712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.786712 (E_RNA) where: Base-Base interactions energy: -945.141 where: short stacking energy: -413.839 Base-Backbone interact. energy: -2.110 local terms energy: -455.535861 where: bonds (distance) C4'-P energy: -80.366 bonds (distance) P-C4' energy: -88.228 flat angles C4'-P-C4' energy: -100.123 flat angles P-C4'-P energy: -69.708 tors. eta vs tors. theta energy: -117.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -1159.359494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.359494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.359494 (E_RNA) where: Base-Base interactions energy: -766.144 where: short stacking energy: -364.114 Base-Backbone interact. energy: -1.529 local terms energy: -391.686018 where: bonds (distance) C4'-P energy: -74.708 bonds (distance) P-C4' energy: -82.656 flat angles C4'-P-C4' energy: -103.793 flat angles P-C4'-P energy: -49.757 tors. eta vs tors. theta energy: -80.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -886.542997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.542997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.542997 (E_RNA) where: Base-Base interactions energy: -556.103 where: short stacking energy: -244.734 Base-Backbone interact. energy: -3.587 local terms energy: -326.852782 where: bonds (distance) C4'-P energy: -80.577 bonds (distance) P-C4' energy: -82.417 flat angles C4'-P-C4' energy: -74.466 flat angles P-C4'-P energy: -52.922 tors. eta vs tors. theta energy: -36.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -661.882732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.882732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.882732 (E_RNA) where: Base-Base interactions energy: -374.186 where: short stacking energy: -215.389 Base-Backbone interact. energy: 3.974 local terms energy: -291.670443 where: bonds (distance) C4'-P energy: -69.777 bonds (distance) P-C4' energy: -87.421 flat angles C4'-P-C4' energy: -74.470 flat angles P-C4'-P energy: -30.899 tors. eta vs tors. theta energy: -29.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1872.580229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.580229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.580229 (E_RNA) where: Base-Base interactions energy: -1304.562 where: short stacking energy: -545.668 Base-Backbone interact. energy: -3.067 local terms energy: -564.951808 where: bonds (distance) C4'-P energy: -104.963 bonds (distance) P-C4' energy: -95.445 flat angles C4'-P-C4' energy: -121.368 flat angles P-C4'-P energy: -87.152 tors. eta vs tors. theta energy: -156.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1773.409051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.409051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.409051 (E_RNA) where: Base-Base interactions energy: -1230.488 where: short stacking energy: -540.245 Base-Backbone interact. energy: -4.322 local terms energy: -538.599183 where: bonds (distance) C4'-P energy: -103.395 bonds (distance) P-C4' energy: -102.635 flat angles C4'-P-C4' energy: -106.044 flat angles P-C4'-P energy: -74.319 tors. eta vs tors. theta energy: -152.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1649.013491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.013491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.013491 (E_RNA) where: Base-Base interactions energy: -1132.213 where: short stacking energy: -497.245 Base-Backbone interact. energy: 1.261 local terms energy: -518.061968 where: bonds (distance) C4'-P energy: -92.517 bonds (distance) P-C4' energy: -99.452 flat angles C4'-P-C4' energy: -98.060 flat angles P-C4'-P energy: -86.108 tors. eta vs tors. theta energy: -141.925 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: 4, replica: 7 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1570.802765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1570.802765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1570.802765 (E_RNA) where: Base-Base interactions energy: -1116.724 where: short stacking energy: -461.191 Base-Backbone interact. energy: -0.219 local terms energy: -453.859632 where: bonds (distance) C4'-P energy: -83.987 bonds (distance) P-C4' energy: -77.333 flat angles C4'-P-C4' energy: -103.170 flat angles P-C4'-P energy: -68.284 tors. eta vs tors. theta energy: -121.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -1505.756686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1505.756686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1505.756686 (E_RNA) where: Base-Base interactions energy: -1031.439 where: short stacking energy: -471.679 Base-Backbone interact. energy: -1.498 local terms energy: -472.819631 where: bonds (distance) C4'-P energy: -63.793 bonds (distance) P-C4' energy: -92.943 flat angles C4'-P-C4' energy: -109.393 flat angles P-C4'-P energy: -70.407 tors. eta vs tors. theta energy: -136.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -1480.954312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.954312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.954312 (E_RNA) where: Base-Base interactions energy: -1023.705 where: short stacking energy: -442.455 Base-Backbone interact. energy: 0.776 local terms energy: -458.025522 where: bonds (distance) C4'-P energy: -89.173 bonds (distance) P-C4' energy: -89.387 flat angles C4'-P-C4' energy: -98.863 flat angles P-C4'-P energy: -62.115 tors. eta vs tors. theta energy: -118.488 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: 8 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -1359.148551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.148551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.148551 (E_RNA) where: Base-Base interactions energy: -944.183 where: short stacking energy: -385.536 Base-Backbone interact. energy: -0.460 local terms energy: -414.505093 where: bonds (distance) C4'-P energy: -79.257 bonds (distance) P-C4' energy: -80.186 flat angles C4'-P-C4' energy: -93.531 flat angles P-C4'-P energy: -55.468 tors. eta vs tors. theta energy: -106.064 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: 8, replica: 1 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -1151.896663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.896663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.896663 (E_RNA) where: Base-Base interactions energy: -786.494 where: short stacking energy: -338.155 Base-Backbone interact. energy: -1.599 local terms energy: -363.802974 where: bonds (distance) C4'-P energy: -69.792 bonds (distance) P-C4' energy: -81.705 flat angles C4'-P-C4' energy: -91.214 flat angles P-C4'-P energy: -46.003 tors. eta vs tors. theta energy: -75.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -877.779697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.779697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.779697 (E_RNA) where: Base-Base interactions energy: -539.479 where: short stacking energy: -244.653 Base-Backbone interact. energy: 2.292 local terms energy: -340.592218 where: bonds (distance) C4'-P energy: -75.058 bonds (distance) P-C4' energy: -87.648 flat angles C4'-P-C4' energy: -93.349 flat angles P-C4'-P energy: -48.135 tors. eta vs tors. theta energy: -36.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -633.141760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.141760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.141760 (E_RNA) where: Base-Base interactions energy: -354.088 where: short stacking energy: -188.215 Base-Backbone interact. energy: 2.483 local terms energy: -281.536829 where: bonds (distance) C4'-P energy: -56.135 bonds (distance) P-C4' energy: -78.560 flat angles C4'-P-C4' energy: -83.841 flat angles P-C4'-P energy: -40.040 tors. eta vs tors. theta energy: -22.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1899.762881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.762881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.762881 (E_RNA) where: Base-Base interactions energy: -1358.403 where: short stacking energy: -562.006 Base-Backbone interact. energy: -1.621 local terms energy: -539.739131 where: bonds (distance) C4'-P energy: -100.314 bonds (distance) P-C4' energy: -104.881 flat angles C4'-P-C4' energy: -111.189 flat angles P-C4'-P energy: -69.697 tors. eta vs tors. theta energy: -153.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1731.036625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.036625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.036625 (E_RNA) where: Base-Base interactions energy: -1230.245 where: short stacking energy: -529.031 Base-Backbone interact. energy: -1.523 local terms energy: -499.269269 where: bonds (distance) C4'-P energy: -90.883 bonds (distance) P-C4' energy: -84.356 flat angles C4'-P-C4' energy: -99.488 flat angles P-C4'-P energy: -83.038 tors. eta vs tors. theta energy: -141.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1650.995433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1650.995433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1650.995433 (E_RNA) where: Base-Base interactions energy: -1139.525 where: short stacking energy: -499.179 Base-Backbone interact. energy: -4.736 local terms energy: -506.733953 where: bonds (distance) C4'-P energy: -89.707 bonds (distance) P-C4' energy: -99.817 flat angles C4'-P-C4' energy: -101.686 flat angles P-C4'-P energy: -75.987 tors. eta vs tors. theta energy: -139.537 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: 4, replica: 4 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1572.724477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.724477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.724477 (E_RNA) where: Base-Base interactions energy: -1052.560 where: short stacking energy: -473.598 Base-Backbone interact. energy: -3.187 local terms energy: -516.977102 where: bonds (distance) C4'-P energy: -93.880 bonds (distance) P-C4' energy: -107.062 flat angles C4'-P-C4' energy: -105.807 flat angles P-C4'-P energy: -72.008 tors. eta vs tors. theta energy: -138.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -1564.920932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1564.920932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1564.920932 (E_RNA) where: Base-Base interactions energy: -1088.397 where: short stacking energy: -434.705 Base-Backbone interact. energy: -1.860 local terms energy: -474.663932 where: bonds (distance) C4'-P energy: -81.994 bonds (distance) P-C4' energy: -87.326 flat angles C4'-P-C4' energy: -112.525 flat angles P-C4'-P energy: -63.236 tors. eta vs tors. theta energy: -129.583 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: 8 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -1462.946384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.946384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.946384 (E_RNA) where: Base-Base interactions energy: -995.661 where: short stacking energy: -428.019 Base-Backbone interact. energy: 0.622 local terms energy: -467.907680 where: bonds (distance) C4'-P energy: -89.851 bonds (distance) P-C4' energy: -97.068 flat angles C4'-P-C4' energy: -84.220 flat angles P-C4'-P energy: -69.845 tors. eta vs tors. theta energy: -126.924 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: 9 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -1405.206474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.206474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.206474 (E_RNA) where: Base-Base interactions energy: -980.270 where: short stacking energy: -431.079 Base-Backbone interact. energy: 0.602 local terms energy: -425.538034 where: bonds (distance) C4'-P energy: -78.110 bonds (distance) P-C4' energy: -78.568 flat angles C4'-P-C4' energy: -99.436 flat angles P-C4'-P energy: -55.572 tors. eta vs tors. theta energy: -113.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -1126.467280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.467280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.467280 (E_RNA) where: Base-Base interactions energy: -740.289 where: short stacking energy: -334.568 Base-Backbone interact. energy: -0.006 local terms energy: -386.171916 where: bonds (distance) C4'-P energy: -82.268 bonds (distance) P-C4' energy: -91.548 flat angles C4'-P-C4' energy: -87.907 flat angles P-C4'-P energy: -47.586 tors. eta vs tors. theta energy: -76.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -926.439646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.439646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.439646 (E_RNA) where: Base-Base interactions energy: -578.268 where: short stacking energy: -272.468 Base-Backbone interact. energy: -2.685 local terms energy: -345.485924 where: bonds (distance) C4'-P energy: -71.987 bonds (distance) P-C4' energy: -85.755 flat angles C4'-P-C4' energy: -92.321 flat angles P-C4'-P energy: -48.227 tors. eta vs tors. theta energy: -47.197 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: 2 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -643.156729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.156729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.156729 (E_RNA) where: Base-Base interactions energy: -370.410 where: short stacking energy: -172.735 Base-Backbone interact. energy: -2.559 local terms energy: -270.187589 where: bonds (distance) C4'-P energy: -62.560 bonds (distance) P-C4' energy: -74.246 flat angles C4'-P-C4' energy: -86.538 flat angles P-C4'-P energy: -35.895 tors. eta vs tors. theta energy: -10.949 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: 1, replica: 6 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1869.996158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.996158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.996158 (E_RNA) where: Base-Base interactions energy: -1316.553 where: short stacking energy: -551.958 Base-Backbone interact. energy: -0.262 local terms energy: -553.180233 where: bonds (distance) C4'-P energy: -103.220 bonds (distance) P-C4' energy: -103.387 flat angles C4'-P-C4' energy: -112.641 flat angles P-C4'-P energy: -78.219 tors. eta vs tors. theta energy: -155.714 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: 5 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1759.727501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.727501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.727501 (E_RNA) where: Base-Base interactions energy: -1244.265 where: short stacking energy: -540.879 Base-Backbone interact. energy: -2.999 local terms energy: -512.463428 where: bonds (distance) C4'-P energy: -103.480 bonds (distance) P-C4' energy: -89.106 flat angles C4'-P-C4' energy: -106.326 flat angles P-C4'-P energy: -62.548 tors. eta vs tors. theta energy: -151.003 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: 3, replica: 3 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1661.554764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.554764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.554764 (E_RNA) where: Base-Base interactions energy: -1148.569 where: short stacking energy: -512.617 Base-Backbone interact. energy: -0.493 local terms energy: -512.492943 where: bonds (distance) C4'-P energy: -92.554 bonds (distance) P-C4' energy: -93.816 flat angles C4'-P-C4' energy: -111.680 flat angles P-C4'-P energy: -70.915 tors. eta vs tors. theta energy: -143.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1553.038099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.038099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.038099 (E_RNA) where: Base-Base interactions energy: -1064.828 where: short stacking energy: -494.693 Base-Backbone interact. energy: -2.090 local terms energy: -486.119883 where: bonds (distance) C4'-P energy: -90.642 bonds (distance) P-C4' energy: -90.264 flat angles C4'-P-C4' energy: -103.047 flat angles P-C4'-P energy: -63.295 tors. eta vs tors. theta energy: -138.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -1533.240786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.240786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.240786 (E_RNA) where: Base-Base interactions energy: -1077.080 where: short stacking energy: -436.671 Base-Backbone interact. energy: 0.068 local terms energy: -456.228698 where: bonds (distance) C4'-P energy: -87.490 bonds (distance) P-C4' energy: -94.362 flat angles C4'-P-C4' energy: -93.791 flat angles P-C4'-P energy: -66.592 tors. eta vs tors. theta energy: -113.994 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -1441.721137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1441.721137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1441.721137 (E_RNA) where: Base-Base interactions energy: -978.054 where: short stacking energy: -421.158 Base-Backbone interact. energy: -0.798 local terms energy: -462.868878 where: bonds (distance) C4'-P energy: -90.622 bonds (distance) P-C4' energy: -89.041 flat angles C4'-P-C4' energy: -100.053 flat angles P-C4'-P energy: -60.541 tors. eta vs tors. theta energy: -122.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -1414.687412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.687412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.687412 (E_RNA) where: Base-Base interactions energy: -997.466 where: short stacking energy: -421.040 Base-Backbone interact. energy: -0.567 local terms energy: -416.654905 where: bonds (distance) C4'-P energy: -80.275 bonds (distance) P-C4' energy: -63.694 flat angles C4'-P-C4' energy: -97.140 flat angles P-C4'-P energy: -61.376 tors. eta vs tors. theta energy: -114.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -1124.164627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.164627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.164627 (E_RNA) where: Base-Base interactions energy: -739.192 where: short stacking energy: -327.700 Base-Backbone interact. energy: -0.431 local terms energy: -384.541494 where: bonds (distance) C4'-P energy: -76.511 bonds (distance) P-C4' energy: -88.417 flat angles C4'-P-C4' energy: -84.572 flat angles P-C4'-P energy: -65.267 tors. eta vs tors. theta energy: -69.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -909.620221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.620221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.620221 (E_RNA) where: Base-Base interactions energy: -580.579 where: short stacking energy: -274.345 Base-Backbone interact. energy: -0.898 local terms energy: -328.142665 where: bonds (distance) C4'-P energy: -87.634 bonds (distance) P-C4' energy: -79.054 flat angles C4'-P-C4' energy: -87.731 flat angles P-C4'-P energy: -26.537 tors. eta vs tors. theta energy: -47.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -649.356556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.356556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.356556 (E_RNA) where: Base-Base interactions energy: -386.860 where: short stacking energy: -221.701 Base-Backbone interact. energy: 3.361 local terms energy: -265.857265 where: bonds (distance) C4'-P energy: -66.989 bonds (distance) P-C4' energy: -74.784 flat angles C4'-P-C4' energy: -76.393 flat angles P-C4'-P energy: -33.087 tors. eta vs tors. theta energy: -14.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1885.216934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.216934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.216934 (E_RNA) where: Base-Base interactions energy: -1325.107 where: short stacking energy: -556.726 Base-Backbone interact. energy: -1.875 local terms energy: -558.235460 where: bonds (distance) C4'-P energy: -98.458 bonds (distance) P-C4' energy: -96.394 flat angles C4'-P-C4' energy: -120.546 flat angles P-C4'-P energy: -85.382 tors. eta vs tors. theta energy: -157.455 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: 255 Temperature: 0.950000 Total energy: -1743.164128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.164128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.164128 (E_RNA) where: Base-Base interactions energy: -1243.855 where: short stacking energy: -511.808 Base-Backbone interact. energy: -0.472 local terms energy: -498.837355 where: bonds (distance) C4'-P energy: -94.330 bonds (distance) P-C4' energy: -91.562 flat angles C4'-P-C4' energy: -102.695 flat angles P-C4'-P energy: -74.151 tors. eta vs tors. theta energy: -136.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1660.212304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1660.212304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1660.212304 (E_RNA) where: Base-Base interactions energy: -1145.516 where: short stacking energy: -509.567 Base-Backbone interact. energy: -0.850 local terms energy: -513.847006 where: bonds (distance) C4'-P energy: -94.332 bonds (distance) P-C4' energy: -94.456 flat angles C4'-P-C4' energy: -104.788 flat angles P-C4'-P energy: -73.872 tors. eta vs tors. theta energy: -146.400 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: 255 Temperature: 1.050000 Total energy: -1568.466767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.466767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.466767 (E_RNA) where: Base-Base interactions energy: -1105.978 where: short stacking energy: -459.180 Base-Backbone interact. energy: 7.664 local terms energy: -470.152564 where: bonds (distance) C4'-P energy: -79.052 bonds (distance) P-C4' energy: -90.696 flat angles C4'-P-C4' energy: -101.170 flat angles P-C4'-P energy: -70.421 tors. eta vs tors. theta energy: -128.813 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: 4 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -1535.136380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.136380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.136380 (E_RNA) where: Base-Base interactions energy: -1048.098 where: short stacking energy: -464.482 Base-Backbone interact. energy: 1.569 local terms energy: -488.607804 where: bonds (distance) C4'-P energy: -89.286 bonds (distance) P-C4' energy: -85.486 flat angles C4'-P-C4' energy: -104.910 flat angles P-C4'-P energy: -71.122 tors. eta vs tors. theta energy: -137.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -1443.694303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.694303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.694303 (E_RNA) where: Base-Base interactions energy: -998.400 where: short stacking energy: -422.627 Base-Backbone interact. energy: 2.037 local terms energy: -447.331993 where: bonds (distance) C4'-P energy: -84.109 bonds (distance) P-C4' energy: -77.475 flat angles C4'-P-C4' energy: -98.318 flat angles P-C4'-P energy: -65.202 tors. eta vs tors. theta energy: -122.227 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: 9 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -1370.355335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.355335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.355335 (E_RNA) where: Base-Base interactions energy: -938.194 where: short stacking energy: -399.085 Base-Backbone interact. energy: -0.780 local terms energy: -431.381914 where: bonds (distance) C4'-P energy: -78.487 bonds (distance) P-C4' energy: -84.824 flat angles C4'-P-C4' energy: -93.856 flat angles P-C4'-P energy: -74.174 tors. eta vs tors. theta energy: -100.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -1135.122753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.122753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.122753 (E_RNA) where: Base-Base interactions energy: -735.339 where: short stacking energy: -322.832 Base-Backbone interact. energy: 0.252 local terms energy: -400.035885 where: bonds (distance) C4'-P energy: -97.391 bonds (distance) P-C4' energy: -83.594 flat angles C4'-P-C4' energy: -87.057 flat angles P-C4'-P energy: -50.233 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: 9, replica: 10 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -944.968423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.968423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.968423 (E_RNA) where: Base-Base interactions energy: -610.019 where: short stacking energy: -297.560 Base-Backbone interact. energy: -2.285 local terms energy: -332.664295 where: bonds (distance) C4'-P energy: -70.889 bonds (distance) P-C4' energy: -75.380 flat angles C4'-P-C4' energy: -80.253 flat angles P-C4'-P energy: -45.655 tors. eta vs tors. theta energy: -60.488 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: 2 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -648.655666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.655666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.655666 (E_RNA) where: Base-Base interactions energy: -367.265 where: short stacking energy: -179.301 Base-Backbone interact. energy: 2.570 local terms energy: -283.960932 where: bonds (distance) C4'-P energy: -79.664 bonds (distance) P-C4' energy: -74.362 flat angles C4'-P-C4' energy: -64.708 flat angles P-C4'-P energy: -46.125 tors. eta vs tors. theta energy: -19.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1847.061962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.061962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.061962 (E_RNA) where: Base-Base interactions energy: -1307.009 where: short stacking energy: -535.081 Base-Backbone interact. energy: 0.685 local terms energy: -540.737717 where: bonds (distance) C4'-P energy: -105.236 bonds (distance) P-C4' energy: -96.768 flat angles C4'-P-C4' energy: -113.577 flat angles P-C4'-P energy: -77.481 tors. eta vs tors. theta energy: -147.676 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: 5 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1736.752869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.752869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.752869 (E_RNA) where: Base-Base interactions energy: -1198.771 where: short stacking energy: -536.077 Base-Backbone interact. energy: -0.378 local terms energy: -537.604103 where: bonds (distance) C4'-P energy: -93.124 bonds (distance) P-C4' energy: -101.006 flat angles C4'-P-C4' energy: -119.642 flat angles P-C4'-P energy: -79.706 tors. eta vs tors. theta energy: -144.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1669.524095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.524095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.524095 (E_RNA) where: Base-Base interactions energy: -1170.302 where: short stacking energy: -505.702 Base-Backbone interact. energy: -1.908 local terms energy: -497.313531 where: bonds (distance) C4'-P energy: -81.800 bonds (distance) P-C4' energy: -102.485 flat angles C4'-P-C4' energy: -108.152 flat angles P-C4'-P energy: -68.738 tors. eta vs tors. theta energy: -136.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1544.665915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.665915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.665915 (E_RNA) where: Base-Base interactions energy: -1062.306 where: short stacking energy: -457.614 Base-Backbone interact. energy: -0.349 local terms energy: -482.011364 where: bonds (distance) C4'-P energy: -88.122 bonds (distance) P-C4' energy: -89.406 flat angles C4'-P-C4' energy: -102.797 flat angles P-C4'-P energy: -80.818 tors. eta vs tors. theta energy: -120.869 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: 5, replica: 4 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -1532.641979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.641979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.641979 (E_RNA) where: Base-Base interactions energy: -1039.284 where: short stacking energy: -457.142 Base-Backbone interact. energy: -2.215 local terms energy: -491.143090 where: bonds (distance) C4'-P energy: -88.436 bonds (distance) P-C4' energy: -94.768 flat angles C4'-P-C4' energy: -103.866 flat angles P-C4'-P energy: -65.204 tors. eta vs tors. theta energy: -138.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -1462.086006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.086006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.086006 (E_RNA) where: Base-Base interactions energy: -1009.175 where: short stacking energy: -421.557 Base-Backbone interact. energy: -0.159 local terms energy: -452.751552 where: bonds (distance) C4'-P energy: -91.064 bonds (distance) P-C4' energy: -85.782 flat angles C4'-P-C4' energy: -99.782 flat angles P-C4'-P energy: -73.774 tors. eta vs tors. theta energy: -102.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -1358.936027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.936027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.936027 (E_RNA) where: Base-Base interactions energy: -954.115 where: short stacking energy: -398.500 Base-Backbone interact. energy: 1.779 local terms energy: -406.599237 where: bonds (distance) C4'-P energy: -76.410 bonds (distance) P-C4' energy: -82.307 flat angles C4'-P-C4' energy: -94.576 flat angles P-C4'-P energy: -47.137 tors. eta vs tors. theta energy: -106.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -1160.715637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.715637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.715637 (E_RNA) where: Base-Base interactions energy: -763.815 where: short stacking energy: -340.013 Base-Backbone interact. energy: -1.074 local terms energy: -395.827169 where: bonds (distance) C4'-P energy: -76.083 bonds (distance) P-C4' energy: -86.289 flat angles C4'-P-C4' energy: -93.235 flat angles P-C4'-P energy: -59.712 tors. eta vs tors. theta energy: -80.509 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: 9, replica: 10 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -930.401754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.401754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.401754 (E_RNA) where: Base-Base interactions energy: -608.914 where: short stacking energy: -274.478 Base-Backbone interact. energy: -2.570 local terms energy: -318.917390 where: bonds (distance) C4'-P energy: -75.005 bonds (distance) P-C4' energy: -87.175 flat angles C4'-P-C4' energy: -71.082 flat angles P-C4'-P energy: -45.841 tors. eta vs tors. theta energy: -39.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -693.547741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.547741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.547741 (E_RNA) where: Base-Base interactions energy: -388.671 where: short stacking energy: -203.933 Base-Backbone interact. energy: -0.395 local terms energy: -304.481912 where: bonds (distance) C4'-P energy: -78.240 bonds (distance) P-C4' energy: -79.509 flat angles C4'-P-C4' energy: -74.691 flat angles P-C4'-P energy: -38.387 tors. eta vs tors. theta energy: -33.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1854.633490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.633490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.633490 (E_RNA) where: Base-Base interactions energy: -1308.144 where: short stacking energy: -555.931 Base-Backbone interact. energy: 5.041 local terms energy: -551.530515 where: bonds (distance) C4'-P energy: -103.565 bonds (distance) P-C4' energy: -97.451 flat angles C4'-P-C4' energy: -111.920 flat angles P-C4'-P energy: -82.287 tors. eta vs tors. theta energy: -156.307 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: 5 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1723.856550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.856550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.856550 (E_RNA) where: Base-Base interactions energy: -1198.707 where: short stacking energy: -510.926 Base-Backbone interact. energy: -2.587 local terms energy: -522.561716 where: bonds (distance) C4'-P energy: -98.417 bonds (distance) P-C4' energy: -86.289 flat angles C4'-P-C4' energy: -112.752 flat angles P-C4'-P energy: -78.878 tors. eta vs tors. theta energy: -146.226 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: 3 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1651.297332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.297332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.297332 (E_RNA) where: Base-Base interactions energy: -1157.939 where: short stacking energy: -495.149 Base-Backbone interact. energy: -3.438 local terms energy: -489.920405 where: bonds (distance) C4'-P energy: -89.786 bonds (distance) P-C4' energy: -89.761 flat angles C4'-P-C4' energy: -104.621 flat angles P-C4'-P energy: -78.745 tors. eta vs tors. theta energy: -127.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1559.955066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.955066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.955066 (E_RNA) where: Base-Base interactions energy: -1097.728 where: short stacking energy: -482.387 Base-Backbone interact. energy: -1.785 local terms energy: -460.441876 where: bonds (distance) C4'-P energy: -96.200 bonds (distance) P-C4' energy: -78.413 flat angles C4'-P-C4' energy: -96.432 flat angles P-C4'-P energy: -69.485 tors. eta vs tors. theta energy: -119.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -1484.885789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.885789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.885789 (E_RNA) where: Base-Base interactions energy: -1000.511 where: short stacking energy: -452.266 Base-Backbone interact. energy: -1.815 local terms energy: -482.559847 where: bonds (distance) C4'-P energy: -96.369 bonds (distance) P-C4' energy: -93.231 flat angles C4'-P-C4' energy: -100.025 flat angles P-C4'-P energy: -72.535 tors. eta vs tors. theta energy: -120.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -1541.491439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.491439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.491439 (E_RNA) where: Base-Base interactions energy: -1061.978 where: short stacking energy: -445.056 Base-Backbone interact. energy: -1.857 local terms energy: -477.656321 where: bonds (distance) C4'-P energy: -85.045 bonds (distance) P-C4' energy: -96.827 flat angles C4'-P-C4' energy: -101.374 flat angles P-C4'-P energy: -69.289 tors. eta vs tors. theta energy: -125.122 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: 9 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -1378.145265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.145265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.145265 (E_RNA) where: Base-Base interactions energy: -941.587 where: short stacking energy: -403.968 Base-Backbone interact. energy: -0.043 local terms energy: -436.515524 where: bonds (distance) C4'-P energy: -73.690 bonds (distance) P-C4' energy: -85.885 flat angles C4'-P-C4' energy: -93.063 flat angles P-C4'-P energy: -65.232 tors. eta vs tors. theta energy: -118.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -1172.217389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.217389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.217389 (E_RNA) where: Base-Base interactions energy: -776.623 where: short stacking energy: -355.083 Base-Backbone interact. energy: 1.593 local terms energy: -397.187394 where: bonds (distance) C4'-P energy: -73.396 bonds (distance) P-C4' energy: -88.282 flat angles C4'-P-C4' energy: -94.390 flat angles P-C4'-P energy: -51.240 tors. eta vs tors. theta energy: -89.879 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: 10 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -901.713612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.713612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.713612 (E_RNA) where: Base-Base interactions energy: -577.854 where: short stacking energy: -259.623 Base-Backbone interact. energy: 7.254 local terms energy: -331.114025 where: bonds (distance) C4'-P energy: -89.565 bonds (distance) P-C4' energy: -89.863 flat angles C4'-P-C4' energy: -76.585 flat angles P-C4'-P energy: -41.561 tors. eta vs tors. theta energy: -33.540 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: 2 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -652.862124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.862124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.862124 (E_RNA) where: Base-Base interactions energy: -365.635 where: short stacking energy: -221.132 Base-Backbone interact. energy: 1.468 local terms energy: -288.694854 where: bonds (distance) C4'-P energy: -77.184 bonds (distance) P-C4' energy: -80.272 flat angles C4'-P-C4' energy: -66.886 flat angles P-C4'-P energy: -47.053 tors. eta vs tors. theta energy: -17.300 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: 6 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1856.336334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.336334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.336334 (E_RNA) where: Base-Base interactions energy: -1292.307 where: short stacking energy: -538.981 Base-Backbone interact. energy: -0.233 local terms energy: -563.796892 where: bonds (distance) C4'-P energy: -98.600 bonds (distance) P-C4' energy: -105.395 flat angles C4'-P-C4' energy: -114.382 flat angles P-C4'-P energy: -83.824 tors. eta vs tors. theta energy: -161.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1762.314074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.314074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.314074 (E_RNA) where: Base-Base interactions energy: -1222.461 where: short stacking energy: -531.008 Base-Backbone interact. energy: -2.848 local terms energy: -537.004667 where: bonds (distance) C4'-P energy: -93.963 bonds (distance) P-C4' energy: -96.254 flat angles C4'-P-C4' energy: -113.656 flat angles P-C4'-P energy: -80.105 tors. eta vs tors. theta energy: -153.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1677.317990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1677.317990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1677.317990 (E_RNA) where: Base-Base interactions energy: -1166.680 where: short stacking energy: -505.221 Base-Backbone interact. energy: -1.885 local terms energy: -508.752571 where: bonds (distance) C4'-P energy: -91.353 bonds (distance) P-C4' energy: -91.391 flat angles C4'-P-C4' energy: -101.355 flat angles P-C4'-P energy: -79.485 tors. eta vs tors. theta energy: -145.168 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: 7 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1606.745179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.745179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.745179 (E_RNA) where: Base-Base interactions energy: -1133.639 where: short stacking energy: -453.599 Base-Backbone interact. energy: -3.962 local terms energy: -469.144068 where: bonds (distance) C4'-P energy: -79.286 bonds (distance) P-C4' energy: -85.349 flat angles C4'-P-C4' energy: -111.468 flat angles P-C4'-P energy: -73.172 tors. eta vs tors. theta energy: -119.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -1532.046681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.046681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.046681 (E_RNA) where: Base-Base interactions energy: -1057.193 where: short stacking energy: -472.818 Base-Backbone interact. energy: -3.044 local terms energy: -471.809666 where: bonds (distance) C4'-P energy: -81.377 bonds (distance) P-C4' energy: -94.999 flat angles C4'-P-C4' energy: -97.335 flat angles P-C4'-P energy: -62.874 tors. eta vs tors. theta energy: -135.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -1465.903336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.903336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.903336 (E_RNA) where: Base-Base interactions energy: -1013.134 where: short stacking energy: -446.574 Base-Backbone interact. energy: -1.568 local terms energy: -451.201230 where: bonds (distance) C4'-P energy: -88.143 bonds (distance) P-C4' energy: -74.770 flat angles C4'-P-C4' energy: -104.950 flat angles P-C4'-P energy: -65.666 tors. eta vs tors. theta energy: -117.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -1376.712156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.712156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.712156 (E_RNA) where: Base-Base interactions energy: -945.032 where: short stacking energy: -427.366 Base-Backbone interact. energy: 0.495 local terms energy: -432.174785 where: bonds (distance) C4'-P energy: -86.127 bonds (distance) P-C4' energy: -82.720 flat angles C4'-P-C4' energy: -91.792 flat angles P-C4'-P energy: -53.553 tors. eta vs tors. theta energy: -117.982 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: 1 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -1192.640435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.640435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.640435 (E_RNA) where: Base-Base interactions energy: -796.083 where: short stacking energy: -390.999 Base-Backbone interact. energy: -2.436 local terms energy: -394.121589 where: bonds (distance) C4'-P energy: -55.769 bonds (distance) P-C4' energy: -91.216 flat angles C4'-P-C4' energy: -80.426 flat angles P-C4'-P energy: -69.751 tors. eta vs tors. theta energy: -96.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -886.050274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.050274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.050274 (E_RNA) where: Base-Base interactions energy: -564.806 where: short stacking energy: -266.030 Base-Backbone interact. energy: 1.632 local terms energy: -322.876558 where: bonds (distance) C4'-P energy: -75.047 bonds (distance) P-C4' energy: -69.747 flat angles C4'-P-C4' energy: -83.166 flat angles P-C4'-P energy: -43.850 tors. eta vs tors. theta energy: -51.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -639.194598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.194598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.194598 (E_RNA) where: Base-Base interactions energy: -373.626 where: short stacking energy: -195.861 Base-Backbone interact. energy: 1.580 local terms energy: -267.149119 where: bonds (distance) C4'-P energy: -78.805 bonds (distance) P-C4' energy: -80.692 flat angles C4'-P-C4' energy: -55.286 flat angles P-C4'-P energy: -43.521 tors. eta vs tors. theta energy: -8.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1868.772344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.772344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.772344 (E_RNA) where: Base-Base interactions energy: -1297.384 where: short stacking energy: -570.688 Base-Backbone interact. energy: 1.111 local terms energy: -572.499606 where: bonds (distance) C4'-P energy: -116.131 bonds (distance) P-C4' energy: -101.013 flat angles C4'-P-C4' energy: -118.463 flat angles P-C4'-P energy: -76.821 tors. eta vs tors. theta energy: -160.071 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: 259 Temperature: 0.950000 Total energy: -1774.118779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.118779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.118779 (E_RNA) where: Base-Base interactions energy: -1232.757 where: short stacking energy: -541.858 Base-Backbone interact. energy: -1.733 local terms energy: -539.629573 where: bonds (distance) C4'-P energy: -97.346 bonds (distance) P-C4' energy: -98.969 flat angles C4'-P-C4' energy: -109.207 flat angles P-C4'-P energy: -81.847 tors. eta vs tors. theta energy: -152.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1688.962552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.962552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.962552 (E_RNA) where: Base-Base interactions energy: -1168.556 where: short stacking energy: -521.599 Base-Backbone interact. energy: -0.778 local terms energy: -519.628392 where: bonds (distance) C4'-P energy: -91.470 bonds (distance) P-C4' energy: -95.015 flat angles C4'-P-C4' energy: -105.522 flat angles P-C4'-P energy: -77.356 tors. eta vs tors. theta energy: -150.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -1558.807458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.807458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.807458 (E_RNA) where: Base-Base interactions energy: -1099.611 where: short stacking energy: -450.459 Base-Backbone interact. energy: -4.233 local terms energy: -454.964191 where: bonds (distance) C4'-P energy: -83.041 bonds (distance) P-C4' energy: -91.398 flat angles C4'-P-C4' energy: -100.785 flat angles P-C4'-P energy: -54.441 tors. eta vs tors. theta energy: -125.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -1521.560920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.560920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.560920 (E_RNA) where: Base-Base interactions energy: -1060.517 where: short stacking energy: -455.022 Base-Backbone interact. energy: 0.462 local terms energy: -461.506616 where: bonds (distance) C4'-P energy: -81.513 bonds (distance) P-C4' energy: -77.472 flat angles C4'-P-C4' energy: -101.129 flat angles P-C4'-P energy: -64.713 tors. eta vs tors. theta energy: -136.679 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: 8 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -1508.451508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.451508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.451508 (E_RNA) where: Base-Base interactions energy: -1049.279 where: short stacking energy: -465.460 Base-Backbone interact. energy: 0.333 local terms energy: -459.504861 where: bonds (distance) C4'-P energy: -91.087 bonds (distance) P-C4' energy: -81.273 flat angles C4'-P-C4' energy: -93.316 flat angles P-C4'-P energy: -62.398 tors. eta vs tors. theta energy: -131.432 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: 9 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -1337.525560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.525560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.525560 (E_RNA) where: Base-Base interactions energy: -943.977 where: short stacking energy: -390.057 Base-Backbone interact. energy: 0.448 local terms energy: -393.996440 where: bonds (distance) C4'-P energy: -63.324 bonds (distance) P-C4' energy: -84.692 flat angles C4'-P-C4' energy: -93.614 flat angles P-C4'-P energy: -53.835 tors. eta vs tors. theta energy: -98.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -1163.638419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.638419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.638419 (E_RNA) where: Base-Base interactions energy: -774.549 where: short stacking energy: -347.367 Base-Backbone interact. energy: 1.614 local terms energy: -390.703493 where: bonds (distance) C4'-P energy: -89.227 bonds (distance) P-C4' energy: -79.613 flat angles C4'-P-C4' energy: -94.489 flat angles P-C4'-P energy: -43.143 tors. eta vs tors. theta energy: -84.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -867.807538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.807538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.807538 (E_RNA) where: Base-Base interactions energy: -556.439 where: short stacking energy: -241.119 Base-Backbone interact. energy: 1.249 local terms energy: -312.618024 where: bonds (distance) C4'-P energy: -83.165 bonds (distance) P-C4' energy: -73.255 flat angles C4'-P-C4' energy: -73.231 flat angles P-C4'-P energy: -59.907 tors. eta vs tors. theta energy: -23.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -639.184024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.184024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.184024 (E_RNA) where: Base-Base interactions energy: -374.970 where: short stacking energy: -195.661 Base-Backbone interact. energy: 1.531 local terms energy: -265.744688 where: bonds (distance) C4'-P energy: -67.686 bonds (distance) P-C4' energy: -69.240 flat angles C4'-P-C4' energy: -68.939 flat angles P-C4'-P energy: -35.536 tors. eta vs tors. theta energy: -24.343 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: 6 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1861.760001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.760001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.760001 (E_RNA) where: Base-Base interactions energy: -1303.817 where: short stacking energy: -560.649 Base-Backbone interact. energy: -1.521 local terms energy: -556.422295 where: bonds (distance) C4'-P energy: -103.615 bonds (distance) P-C4' energy: -95.689 flat angles C4'-P-C4' energy: -113.254 flat angles P-C4'-P energy: -86.173 tors. eta vs tors. theta energy: -157.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1753.736885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.736885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.736885 (E_RNA) where: Base-Base interactions energy: -1243.842 where: short stacking energy: -511.615 Base-Backbone interact. energy: -2.718 local terms energy: -507.177517 where: bonds (distance) C4'-P energy: -90.871 bonds (distance) P-C4' energy: -87.938 flat angles C4'-P-C4' energy: -113.164 flat angles P-C4'-P energy: -71.166 tors. eta vs tors. theta energy: -144.038 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: 3 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1702.547055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.547055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.547055 (E_RNA) where: Base-Base interactions energy: -1184.621 where: short stacking energy: -516.774 Base-Backbone interact. energy: -2.590 local terms energy: -515.335923 where: bonds (distance) C4'-P energy: -94.117 bonds (distance) P-C4' energy: -97.337 flat angles C4'-P-C4' energy: -106.636 flat angles P-C4'-P energy: -72.886 tors. eta vs tors. theta energy: -144.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -1591.290902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.290902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.290902 (E_RNA) where: Base-Base interactions energy: -1105.635 where: short stacking energy: -488.420 Base-Backbone interact. energy: -2.245 local terms energy: -483.410795 where: bonds (distance) C4'-P energy: -82.819 bonds (distance) P-C4' energy: -88.631 flat angles C4'-P-C4' energy: -102.186 flat angles P-C4'-P energy: -72.315 tors. eta vs tors. theta energy: -137.460 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: 5, replica: 8 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -1573.573567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.573567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.573567 (E_RNA) where: Base-Base interactions energy: -1119.681 where: short stacking energy: -476.426 Base-Backbone interact. energy: 0.400 local terms energy: -454.292710 where: bonds (distance) C4'-P energy: -75.777 bonds (distance) P-C4' energy: -84.754 flat angles C4'-P-C4' energy: -96.991 flat angles P-C4'-P energy: -59.839 tors. eta vs tors. theta energy: -136.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -1458.980887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1458.980887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1458.980887 (E_RNA) where: Base-Base interactions energy: -993.747 where: short stacking energy: -448.486 Base-Backbone interact. energy: -0.637 local terms energy: -464.596975 where: bonds (distance) C4'-P energy: -71.516 bonds (distance) P-C4' energy: -92.539 flat angles C4'-P-C4' energy: -103.014 flat angles P-C4'-P energy: -73.673 tors. eta vs tors. theta energy: -123.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -1332.165562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.165562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.165562 (E_RNA) where: Base-Base interactions energy: -935.084 where: short stacking energy: -398.496 Base-Backbone interact. energy: 0.030 local terms energy: -397.110717 where: bonds (distance) C4'-P energy: -76.907 bonds (distance) P-C4' energy: -80.351 flat angles C4'-P-C4' energy: -83.870 flat angles P-C4'-P energy: -55.993 tors. eta vs tors. theta energy: -99.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -1161.568512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.568512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.568512 (E_RNA) where: Base-Base interactions energy: -765.240 where: short stacking energy: -354.203 Base-Backbone interact. energy: -2.333 local terms energy: -393.995809 where: bonds (distance) C4'-P energy: -96.411 bonds (distance) P-C4' energy: -75.513 flat angles C4'-P-C4' energy: -91.700 flat angles P-C4'-P energy: -51.698 tors. eta vs tors. theta energy: -78.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -859.615704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.615704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.615704 (E_RNA) where: Base-Base interactions energy: -558.314 where: short stacking energy: -234.108 Base-Backbone interact. energy: 5.526 local terms energy: -306.828535 where: bonds (distance) C4'-P energy: -74.012 bonds (distance) P-C4' energy: -78.424 flat angles C4'-P-C4' energy: -77.671 flat angles P-C4'-P energy: -46.304 tors. eta vs tors. theta energy: -30.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -686.429987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.429987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.429987 (E_RNA) where: Base-Base interactions energy: -367.522 where: short stacking energy: -199.503 Base-Backbone interact. energy: 1.207 local terms energy: -320.114871 where: bonds (distance) C4'-P energy: -88.473 bonds (distance) P-C4' energy: -75.299 flat angles C4'-P-C4' energy: -77.578 flat angles P-C4'-P energy: -54.398 tors. eta vs tors. theta energy: -24.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1883.210079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.210079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.210079 (E_RNA) where: Base-Base interactions energy: -1315.612 where: short stacking energy: -563.030 Base-Backbone interact. energy: -5.933 local terms energy: -561.664356 where: bonds (distance) C4'-P energy: -96.901 bonds (distance) P-C4' energy: -97.354 flat angles C4'-P-C4' energy: -115.880 flat angles P-C4'-P energy: -88.102 tors. eta vs tors. theta energy: -163.427 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: 5 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1779.641352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.641352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.641352 (E_RNA) where: Base-Base interactions energy: -1236.215 where: short stacking energy: -534.258 Base-Backbone interact. energy: -4.191 local terms energy: -539.235753 where: bonds (distance) C4'-P energy: -108.117 bonds (distance) P-C4' energy: -89.889 flat angles C4'-P-C4' energy: -111.381 flat angles P-C4'-P energy: -74.035 tors. eta vs tors. theta energy: -155.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1676.031461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.031461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.031461 (E_RNA) where: Base-Base interactions energy: -1190.566 where: short stacking energy: -524.374 Base-Backbone interact. energy: 1.197 local terms energy: -486.663102 where: bonds (distance) C4'-P energy: -78.720 bonds (distance) P-C4' energy: -86.664 flat angles C4'-P-C4' energy: -103.632 flat angles P-C4'-P energy: -71.803 tors. eta vs tors. theta energy: -145.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1639.462576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.462576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.462576 (E_RNA) where: Base-Base interactions energy: -1136.899 where: short stacking energy: -484.188 Base-Backbone interact. energy: -1.133 local terms energy: -501.430310 where: bonds (distance) C4'-P energy: -97.621 bonds (distance) P-C4' energy: -90.846 flat angles C4'-P-C4' energy: -104.733 flat angles P-C4'-P energy: -64.278 tors. eta vs tors. theta energy: -143.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -1568.470768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.470768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.470768 (E_RNA) where: Base-Base interactions energy: -1094.885 where: short stacking energy: -462.243 Base-Backbone interact. energy: 0.393 local terms energy: -473.978936 where: bonds (distance) C4'-P energy: -96.021 bonds (distance) P-C4' energy: -82.435 flat angles C4'-P-C4' energy: -93.997 flat angles P-C4'-P energy: -68.950 tors. eta vs tors. theta energy: -132.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -1475.167106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.167106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.167106 (E_RNA) where: Base-Base interactions energy: -1018.145 where: short stacking energy: -428.807 Base-Backbone interact. energy: -0.829 local terms energy: -456.192673 where: bonds (distance) C4'-P energy: -83.515 bonds (distance) P-C4' energy: -81.093 flat angles C4'-P-C4' energy: -101.702 flat angles P-C4'-P energy: -63.158 tors. eta vs tors. theta energy: -126.725 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: 9 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -1398.810884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.810884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.810884 (E_RNA) where: Base-Base interactions energy: -953.836 where: short stacking energy: -400.131 Base-Backbone interact. energy: -1.617 local terms energy: -443.357746 where: bonds (distance) C4'-P energy: -93.221 bonds (distance) P-C4' energy: -105.364 flat angles C4'-P-C4' energy: -96.936 flat angles P-C4'-P energy: -53.765 tors. eta vs tors. theta energy: -94.072 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: 1 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -1128.330354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.330354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.330354 (E_RNA) where: Base-Base interactions energy: -754.403 where: short stacking energy: -331.584 Base-Backbone interact. energy: -0.560 local terms energy: -373.367242 where: bonds (distance) C4'-P energy: -90.606 bonds (distance) P-C4' energy: -86.287 flat angles C4'-P-C4' energy: -72.833 flat angles P-C4'-P energy: -50.255 tors. eta vs tors. theta energy: -73.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -861.771294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.771294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.771294 (E_RNA) where: Base-Base interactions energy: -558.024 where: short stacking energy: -265.581 Base-Backbone interact. energy: 1.378 local terms energy: -305.125467 where: bonds (distance) C4'-P energy: -85.904 bonds (distance) P-C4' energy: -72.834 flat angles C4'-P-C4' energy: -61.472 flat angles P-C4'-P energy: -42.925 tors. eta vs tors. theta energy: -41.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -665.900343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.900343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.900343 (E_RNA) where: Base-Base interactions energy: -390.247 where: short stacking energy: -201.743 Base-Backbone interact. energy: -0.943 local terms energy: -274.710431 where: bonds (distance) C4'-P energy: -72.050 bonds (distance) P-C4' energy: -87.583 flat angles C4'-P-C4' energy: -78.290 flat angles P-C4'-P energy: -28.103 tors. eta vs tors. theta energy: -8.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1868.745930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.745930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.745930 (E_RNA) where: Base-Base interactions energy: -1313.959 where: short stacking energy: -557.041 Base-Backbone interact. energy: 0.273 local terms energy: -555.059696 where: bonds (distance) C4'-P energy: -97.549 bonds (distance) P-C4' energy: -102.851 flat angles C4'-P-C4' energy: -123.648 flat angles P-C4'-P energy: -75.758 tors. eta vs tors. theta energy: -155.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1765.310433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.310433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.310433 (E_RNA) where: Base-Base interactions energy: -1218.634 where: short stacking energy: -512.771 Base-Backbone interact. energy: -2.409 local terms energy: -544.267588 where: bonds (distance) C4'-P energy: -102.299 bonds (distance) P-C4' energy: -103.072 flat angles C4'-P-C4' energy: -108.802 flat angles P-C4'-P energy: -78.194 tors. eta vs tors. theta energy: -151.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1672.813149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1672.813149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1672.813149 (E_RNA) where: Base-Base interactions energy: -1179.189 where: short stacking energy: -505.438 Base-Backbone interact. energy: 1.363 local terms energy: -494.987852 where: bonds (distance) C4'-P energy: -87.250 bonds (distance) P-C4' energy: -93.057 flat angles C4'-P-C4' energy: -107.352 flat angles P-C4'-P energy: -62.170 tors. eta vs tors. theta energy: -145.159 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: 8 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1647.982823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.982823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.982823 (E_RNA) where: Base-Base interactions energy: -1149.929 where: short stacking energy: -491.878 Base-Backbone interact. energy: -1.995 local terms energy: -496.058493 where: bonds (distance) C4'-P energy: -86.453 bonds (distance) P-C4' energy: -91.598 flat angles C4'-P-C4' energy: -103.426 flat angles P-C4'-P energy: -71.415 tors. eta vs tors. theta energy: -143.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -1553.868418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1553.868418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1553.868418 (E_RNA) where: Base-Base interactions energy: -1102.452 where: short stacking energy: -445.213 Base-Backbone interact. energy: -0.854 local terms energy: -450.562345 where: bonds (distance) C4'-P energy: -78.024 bonds (distance) P-C4' energy: -97.545 flat angles C4'-P-C4' energy: -102.943 flat angles P-C4'-P energy: -56.462 tors. eta vs tors. theta energy: -115.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -1434.379492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.379492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.379492 (E_RNA) where: Base-Base interactions energy: -997.122 where: short stacking energy: -418.456 Base-Backbone interact. energy: -0.798 local terms energy: -436.459399 where: bonds (distance) C4'-P energy: -80.067 bonds (distance) P-C4' energy: -81.666 flat angles C4'-P-C4' energy: -100.262 flat angles P-C4'-P energy: -58.163 tors. eta vs tors. theta energy: -116.301 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: 262 Temperature: 1.200000 Total energy: -1284.853232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.853232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.853232 (E_RNA) where: Base-Base interactions energy: -895.385 where: short stacking energy: -392.339 Base-Backbone interact. energy: -0.860 local terms energy: -388.607782 where: bonds (distance) C4'-P energy: -59.495 bonds (distance) P-C4' energy: -83.676 flat angles C4'-P-C4' energy: -86.614 flat angles P-C4'-P energy: -64.518 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: 8, replica: 1 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -1174.131668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.131668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.131668 (E_RNA) where: Base-Base interactions energy: -772.429 where: short stacking energy: -345.201 Base-Backbone interact. energy: -0.140 local terms energy: -401.562532 where: bonds (distance) C4'-P energy: -84.410 bonds (distance) P-C4' energy: -87.891 flat angles C4'-P-C4' energy: -96.363 flat angles P-C4'-P energy: -42.338 tors. eta vs tors. theta energy: -90.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -892.952360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.952360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.952360 (E_RNA) where: Base-Base interactions energy: -538.074 where: short stacking energy: -258.097 Base-Backbone interact. energy: -0.146 local terms energy: -354.731483 where: bonds (distance) C4'-P energy: -87.709 bonds (distance) P-C4' energy: -79.987 flat angles C4'-P-C4' energy: -86.144 flat angles P-C4'-P energy: -51.382 tors. eta vs tors. theta energy: -49.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -673.709400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.709400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.709400 (E_RNA) where: Base-Base interactions energy: -372.575 where: short stacking energy: -207.872 Base-Backbone interact. energy: -1.925 local terms energy: -299.209173 where: bonds (distance) C4'-P energy: -64.863 bonds (distance) P-C4' energy: -94.823 flat angles C4'-P-C4' energy: -75.650 flat angles P-C4'-P energy: -47.861 tors. eta vs tors. theta energy: -16.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1860.480336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.480336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.480336 (E_RNA) where: Base-Base interactions energy: -1317.617 where: short stacking energy: -563.668 Base-Backbone interact. energy: -0.560 local terms energy: -542.303994 where: bonds (distance) C4'-P energy: -105.700 bonds (distance) P-C4' energy: -92.602 flat angles C4'-P-C4' energy: -116.497 flat angles P-C4'-P energy: -68.825 tors. eta vs tors. theta energy: -158.680 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: 263 Temperature: 0.950000 Total energy: -1772.708242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.708242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.708242 (E_RNA) where: Base-Base interactions energy: -1266.948 where: short stacking energy: -530.407 Base-Backbone interact. energy: 0.218 local terms energy: -505.978384 where: bonds (distance) C4'-P energy: -86.562 bonds (distance) P-C4' energy: -96.072 flat angles C4'-P-C4' energy: -103.122 flat angles P-C4'-P energy: -77.959 tors. eta vs tors. theta energy: -142.263 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: 3 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1691.119564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.119564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.119564 (E_RNA) where: Base-Base interactions energy: -1190.410 where: short stacking energy: -532.764 Base-Backbone interact. energy: -1.624 local terms energy: -499.085672 where: bonds (distance) C4'-P energy: -91.595 bonds (distance) P-C4' energy: -88.466 flat angles C4'-P-C4' energy: -104.594 flat angles P-C4'-P energy: -71.501 tors. eta vs tors. theta energy: -142.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1669.786655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.786655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.786655 (E_RNA) where: Base-Base interactions energy: -1190.463 where: short stacking energy: -507.393 Base-Backbone interact. energy: 0.761 local terms energy: -480.085516 where: bonds (distance) C4'-P energy: -87.667 bonds (distance) P-C4' energy: -78.398 flat angles C4'-P-C4' energy: -107.635 flat angles P-C4'-P energy: -70.285 tors. eta vs tors. theta energy: -136.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -1555.494220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.494220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.494220 (E_RNA) where: Base-Base interactions energy: -1099.735 where: short stacking energy: -444.557 Base-Backbone interact. energy: -2.317 local terms energy: -453.442291 where: bonds (distance) C4'-P energy: -92.042 bonds (distance) P-C4' energy: -74.079 flat angles C4'-P-C4' energy: -99.244 flat angles P-C4'-P energy: -74.076 tors. eta vs tors. theta energy: -114.002 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: 6, replica: 4 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -1472.039041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.039041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.039041 (E_RNA) where: Base-Base interactions energy: -1004.434 where: short stacking energy: -431.950 Base-Backbone interact. energy: 0.082 local terms energy: -467.686529 where: bonds (distance) C4'-P energy: -84.315 bonds (distance) P-C4' energy: -91.257 flat angles C4'-P-C4' energy: -97.668 flat angles P-C4'-P energy: -70.903 tors. eta vs tors. theta energy: -123.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -1323.796485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1323.796485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1323.796485 (E_RNA) where: Base-Base interactions energy: -893.626 where: short stacking energy: -398.672 Base-Backbone interact. energy: 1.591 local terms energy: -431.761560 where: bonds (distance) C4'-P energy: -76.459 bonds (distance) P-C4' energy: -78.184 flat angles C4'-P-C4' energy: -102.214 flat angles P-C4'-P energy: -66.029 tors. eta vs tors. theta energy: -108.876 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: 1 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -1182.983044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.983044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.983044 (E_RNA) where: Base-Base interactions energy: -813.928 where: short stacking energy: -363.115 Base-Backbone interact. energy: -1.445 local terms energy: -367.609561 where: bonds (distance) C4'-P energy: -74.645 bonds (distance) P-C4' energy: -81.496 flat angles C4'-P-C4' energy: -87.025 flat angles P-C4'-P energy: -35.844 tors. eta vs tors. theta energy: -88.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -836.279780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.279780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.279780 (E_RNA) where: Base-Base interactions energy: -538.229 where: short stacking energy: -263.858 Base-Backbone interact. energy: -0.901 local terms energy: -297.149807 where: bonds (distance) C4'-P energy: -55.266 bonds (distance) P-C4' energy: -81.740 flat angles C4'-P-C4' energy: -70.568 flat angles P-C4'-P energy: -49.269 tors. eta vs tors. theta energy: -40.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -649.276542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.276542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.276542 (E_RNA) where: Base-Base interactions energy: -364.961 where: short stacking energy: -183.390 Base-Backbone interact. energy: 1.554 local terms energy: -285.869676 where: bonds (distance) C4'-P energy: -82.199 bonds (distance) P-C4' energy: -82.569 flat angles C4'-P-C4' energy: -66.224 flat angles P-C4'-P energy: -44.635 tors. eta vs tors. theta energy: -10.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1863.527557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.527557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.527557 (E_RNA) where: Base-Base interactions energy: -1319.550 where: short stacking energy: -557.361 Base-Backbone interact. energy: 0.604 local terms energy: -544.582289 where: bonds (distance) C4'-P energy: -92.840 bonds (distance) P-C4' energy: -100.120 flat angles C4'-P-C4' energy: -117.092 flat angles P-C4'-P energy: -79.097 tors. eta vs tors. theta energy: -155.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1782.789944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.789944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.789944 (E_RNA) where: Base-Base interactions energy: -1257.291 where: short stacking energy: -540.421 Base-Backbone interact. energy: -3.918 local terms energy: -521.580770 where: bonds (distance) C4'-P energy: -95.531 bonds (distance) P-C4' energy: -90.551 flat angles C4'-P-C4' energy: -114.548 flat angles P-C4'-P energy: -73.302 tors. eta vs tors. theta energy: -147.648 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: 3 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1669.779513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.779513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.779513 (E_RNA) where: Base-Base interactions energy: -1173.396 where: short stacking energy: -510.888 Base-Backbone interact. energy: -3.468 local terms energy: -492.916200 where: bonds (distance) C4'-P energy: -90.812 bonds (distance) P-C4' energy: -90.359 flat angles C4'-P-C4' energy: -100.703 flat angles P-C4'-P energy: -73.572 tors. eta vs tors. theta energy: -137.470 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: 8 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1667.569309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.569309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.569309 (E_RNA) where: Base-Base interactions energy: -1167.501 where: short stacking energy: -496.157 Base-Backbone interact. energy: 0.029 local terms energy: -500.096533 where: bonds (distance) C4'-P energy: -71.649 bonds (distance) P-C4' energy: -100.443 flat angles C4'-P-C4' energy: -113.146 flat angles P-C4'-P energy: -66.129 tors. eta vs tors. theta energy: -148.731 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: 7 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -1548.705942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.705942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.705942 (E_RNA) where: Base-Base interactions energy: -1074.195 where: short stacking energy: -455.222 Base-Backbone interact. energy: -3.061 local terms energy: -471.449541 where: bonds (distance) C4'-P energy: -84.347 bonds (distance) P-C4' energy: -92.474 flat angles C4'-P-C4' energy: -100.452 flat angles P-C4'-P energy: -68.148 tors. eta vs tors. theta energy: -126.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -1470.897987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1470.897987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1470.897987 (E_RNA) where: Base-Base interactions energy: -1027.825 where: short stacking energy: -454.348 Base-Backbone interact. energy: -0.896 local terms energy: -442.176985 where: bonds (distance) C4'-P energy: -64.519 bonds (distance) P-C4' energy: -92.481 flat angles C4'-P-C4' energy: -100.195 flat angles P-C4'-P energy: -59.782 tors. eta vs tors. theta energy: -125.200 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: 9 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -1347.984512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.984512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.984512 (E_RNA) where: Base-Base interactions energy: -913.128 where: short stacking energy: -400.641 Base-Backbone interact. energy: -1.437 local terms energy: -433.419509 where: bonds (distance) C4'-P energy: -86.927 bonds (distance) P-C4' energy: -101.721 flat angles C4'-P-C4' energy: -92.549 flat angles P-C4'-P energy: -48.933 tors. eta vs tors. theta energy: -103.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -1153.046399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.046399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.046399 (E_RNA) where: Base-Base interactions energy: -775.621 where: short stacking energy: -358.349 Base-Backbone interact. energy: -1.638 local terms energy: -375.787291 where: bonds (distance) C4'-P energy: -76.565 bonds (distance) P-C4' energy: -72.783 flat angles C4'-P-C4' energy: -85.501 flat angles P-C4'-P energy: -46.723 tors. eta vs tors. theta energy: -94.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -859.152890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.152890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.152890 (E_RNA) where: Base-Base interactions energy: -571.078 where: short stacking energy: -249.947 Base-Backbone interact. energy: -0.335 local terms energy: -287.740111 where: bonds (distance) C4'-P energy: -46.699 bonds (distance) P-C4' energy: -82.349 flat angles C4'-P-C4' energy: -85.215 flat angles P-C4'-P energy: -39.380 tors. eta vs tors. theta energy: -34.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -614.680131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.680131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.680131 (E_RNA) where: Base-Base interactions energy: -326.495 where: short stacking energy: -191.548 Base-Backbone interact. energy: 7.562 local terms energy: -295.747474 where: bonds (distance) C4'-P energy: -84.764 bonds (distance) P-C4' energy: -80.911 flat angles C4'-P-C4' energy: -86.801 flat angles P-C4'-P energy: -35.605 tors. eta vs tors. theta energy: -7.666 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: 6 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1850.296492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.296492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.296492 (E_RNA) where: Base-Base interactions energy: -1307.423 where: short stacking energy: -546.264 Base-Backbone interact. energy: -2.350 local terms energy: -540.523643 where: bonds (distance) C4'-P energy: -84.968 bonds (distance) P-C4' energy: -102.956 flat angles C4'-P-C4' energy: -116.916 flat angles P-C4'-P energy: -85.073 tors. eta vs tors. theta energy: -150.611 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: 2, replica: 5 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1780.411135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.411135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.411135 (E_RNA) where: Base-Base interactions energy: -1271.194 where: short stacking energy: -526.701 Base-Backbone interact. energy: -1.776 local terms energy: -507.441364 where: bonds (distance) C4'-P energy: -87.491 bonds (distance) P-C4' energy: -83.662 flat angles C4'-P-C4' energy: -107.316 flat angles P-C4'-P energy: -80.213 tors. eta vs tors. theta energy: -148.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1665.475719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1665.475719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1665.475719 (E_RNA) where: Base-Base interactions energy: -1159.214 where: short stacking energy: -512.158 Base-Backbone interact. energy: -4.292 local terms energy: -501.969710 where: bonds (distance) C4'-P energy: -82.511 bonds (distance) P-C4' energy: -95.752 flat angles C4'-P-C4' energy: -107.359 flat angles P-C4'-P energy: -76.031 tors. eta vs tors. theta energy: -140.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1631.795518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.795518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.795518 (E_RNA) where: Base-Base interactions energy: -1148.212 where: short stacking energy: -489.350 Base-Backbone interact. energy: -1.752 local terms energy: -481.831477 where: bonds (distance) C4'-P energy: -85.198 bonds (distance) P-C4' energy: -102.971 flat angles C4'-P-C4' energy: -95.673 flat angles P-C4'-P energy: -57.429 tors. eta vs tors. theta energy: -140.561 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: 265 Temperature: 1.100000 Total energy: -1526.905018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.905018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.905018 (E_RNA) where: Base-Base interactions energy: -1064.750 where: short stacking energy: -442.301 Base-Backbone interact. energy: 1.209 local terms energy: -463.364707 where: bonds (distance) C4'-P energy: -83.474 bonds (distance) P-C4' energy: -94.017 flat angles C4'-P-C4' energy: -95.356 flat angles P-C4'-P energy: -68.355 tors. eta vs tors. theta energy: -122.162 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: 6, replica: 4 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -1436.774509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1436.774509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1436.774509 (E_RNA) where: Base-Base interactions energy: -976.418 where: short stacking energy: -427.299 Base-Backbone interact. energy: -2.134 local terms energy: -458.222638 where: bonds (distance) C4'-P energy: -74.199 bonds (distance) P-C4' energy: -94.841 flat angles C4'-P-C4' energy: -103.833 flat angles P-C4'-P energy: -61.579 tors. eta vs tors. theta energy: -123.770 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: 7, replica: 9 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -1358.775845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.775845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.775845 (E_RNA) where: Base-Base interactions energy: -916.081 where: short stacking energy: -388.481 Base-Backbone interact. energy: -0.441 local terms energy: -442.254338 where: bonds (distance) C4'-P energy: -92.658 bonds (distance) P-C4' energy: -89.645 flat angles C4'-P-C4' energy: -90.787 flat angles P-C4'-P energy: -55.206 tors. eta vs tors. theta energy: -113.958 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: 1 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -1138.903504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.903504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.903504 (E_RNA) where: Base-Base interactions energy: -759.806 where: short stacking energy: -336.399 Base-Backbone interact. energy: 3.171 local terms energy: -382.268876 where: bonds (distance) C4'-P energy: -63.792 bonds (distance) P-C4' energy: -89.485 flat angles C4'-P-C4' energy: -79.881 flat angles P-C4'-P energy: -54.474 tors. eta vs tors. theta energy: -94.637 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: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -858.140541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.140541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.140541 (E_RNA) where: Base-Base interactions energy: -523.754 where: short stacking energy: -257.910 Base-Backbone interact. energy: -1.862 local terms energy: -332.524621 where: bonds (distance) C4'-P energy: -85.198 bonds (distance) P-C4' energy: -76.060 flat angles C4'-P-C4' energy: -81.872 flat angles P-C4'-P energy: -45.396 tors. eta vs tors. theta energy: -43.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -573.236237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.236237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.236237 (E_RNA) where: Base-Base interactions energy: -300.802 where: short stacking energy: -172.504 Base-Backbone interact. energy: 1.272 local terms energy: -273.706156 where: bonds (distance) C4'-P energy: -86.849 bonds (distance) P-C4' energy: -75.090 flat angles C4'-P-C4' energy: -48.988 flat angles P-C4'-P energy: -58.671 tors. eta vs tors. theta energy: -4.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1885.796048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.796048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.796048 (E_RNA) where: Base-Base interactions energy: -1325.422 where: short stacking energy: -570.081 Base-Backbone interact. energy: -2.337 local terms energy: -558.037025 where: bonds (distance) C4'-P energy: -100.033 bonds (distance) P-C4' energy: -104.501 flat angles C4'-P-C4' energy: -115.820 flat angles P-C4'-P energy: -81.360 tors. eta vs tors. theta energy: -156.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1770.862558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.862558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.862558 (E_RNA) where: Base-Base interactions energy: -1241.863 where: short stacking energy: -522.703 Base-Backbone interact. energy: -3.212 local terms energy: -525.787490 where: bonds (distance) C4'-P energy: -94.040 bonds (distance) P-C4' energy: -101.755 flat angles C4'-P-C4' energy: -114.894 flat angles P-C4'-P energy: -72.554 tors. eta vs tors. theta energy: -142.545 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: 266 Temperature: 1.000000 Total energy: -1669.661952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.661952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.661952 (E_RNA) where: Base-Base interactions energy: -1156.554 where: short stacking energy: -498.950 Base-Backbone interact. energy: 0.485 local terms energy: -513.592216 where: bonds (distance) C4'-P energy: -93.296 bonds (distance) P-C4' energy: -103.102 flat angles C4'-P-C4' energy: -105.695 flat angles P-C4'-P energy: -72.410 tors. eta vs tors. theta energy: -139.089 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: 8 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -1701.521548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.521548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.521548 (E_RNA) where: Base-Base interactions energy: -1198.632 where: short stacking energy: -519.695 Base-Backbone interact. energy: -2.837 local terms energy: -500.052787 where: bonds (distance) C4'-P energy: -82.795 bonds (distance) P-C4' energy: -96.059 flat angles C4'-P-C4' energy: -102.763 flat angles P-C4'-P energy: -71.465 tors. eta vs tors. theta energy: -146.969 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: 7 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -1520.482071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.482071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.482071 (E_RNA) where: Base-Base interactions energy: -1069.760 where: short stacking energy: -472.509 Base-Backbone interact. energy: -0.531 local terms energy: -450.191153 where: bonds (distance) C4'-P energy: -75.621 bonds (distance) P-C4' energy: -82.804 flat angles C4'-P-C4' energy: -107.584 flat angles P-C4'-P energy: -62.676 tors. eta vs tors. theta energy: -121.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -1394.150688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.150688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.150688 (E_RNA) where: Base-Base interactions energy: -944.581 where: short stacking energy: -389.991 Base-Backbone interact. energy: -2.606 local terms energy: -446.963911 where: bonds (distance) C4'-P energy: -80.422 bonds (distance) P-C4' energy: -85.614 flat angles C4'-P-C4' energy: -104.722 flat angles P-C4'-P energy: -62.034 tors. eta vs tors. theta energy: -114.172 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: 7, replica: 9 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -1345.520126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.520126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.520126 (E_RNA) where: Base-Base interactions energy: -926.112 where: short stacking energy: -398.470 Base-Backbone interact. energy: -1.993 local terms energy: -417.414624 where: bonds (distance) C4'-P energy: -83.188 bonds (distance) P-C4' energy: -75.339 flat angles C4'-P-C4' energy: -89.677 flat angles P-C4'-P energy: -67.522 tors. eta vs tors. theta energy: -101.690 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: 1 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -1196.889057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.889057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.889057 (E_RNA) where: Base-Base interactions energy: -781.040 where: short stacking energy: -340.293 Base-Backbone interact. energy: -1.946 local terms energy: -413.903163 where: bonds (distance) C4'-P energy: -90.328 bonds (distance) P-C4' energy: -95.971 flat angles C4'-P-C4' energy: -85.430 flat angles P-C4'-P energy: -60.725 tors. eta vs tors. theta energy: -81.449 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: 10 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -793.314460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.314460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.314460 (E_RNA) where: Base-Base interactions energy: -476.423 where: short stacking energy: -241.238 Base-Backbone interact. energy: -1.546 local terms energy: -315.344944 where: bonds (distance) C4'-P energy: -73.206 bonds (distance) P-C4' energy: -75.595 flat angles C4'-P-C4' energy: -81.494 flat angles P-C4'-P energy: -50.133 tors. eta vs tors. theta energy: -34.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -578.395816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.395816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.395816 (E_RNA) where: Base-Base interactions energy: -285.292 where: short stacking energy: -167.345 Base-Backbone interact. energy: 0.118 local terms energy: -293.221487 where: bonds (distance) C4'-P energy: -74.704 bonds (distance) P-C4' energy: -88.356 flat angles C4'-P-C4' energy: -76.512 flat angles P-C4'-P energy: -33.910 tors. eta vs tors. theta energy: -19.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1865.020707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.020707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.020707 (E_RNA) where: Base-Base interactions energy: -1296.628 where: short stacking energy: -549.129 Base-Backbone interact. energy: 4.040 local terms energy: -572.433247 where: bonds (distance) C4'-P energy: -105.601 bonds (distance) P-C4' energy: -115.201 flat angles C4'-P-C4' energy: -111.474 flat angles P-C4'-P energy: -84.853 tors. eta vs tors. theta energy: -155.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1699.611438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.611438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.611438 (E_RNA) where: Base-Base interactions energy: -1163.855 where: short stacking energy: -520.019 Base-Backbone interact. energy: 1.368 local terms energy: -537.124723 where: bonds (distance) C4'-P energy: -94.012 bonds (distance) P-C4' energy: -106.266 flat angles C4'-P-C4' energy: -111.723 flat angles P-C4'-P energy: -81.505 tors. eta vs tors. theta energy: -143.618 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: 5 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -1709.113168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1709.113168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1709.113168 (E_RNA) where: Base-Base interactions energy: -1226.509 where: short stacking energy: -518.110 Base-Backbone interact. energy: -0.273 local terms energy: -482.331198 where: bonds (distance) C4'-P energy: -89.739 bonds (distance) P-C4' energy: -84.066 flat angles C4'-P-C4' energy: -105.328 flat angles P-C4'-P energy: -58.630 tors. eta vs tors. theta energy: -144.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1667.629270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.629270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.629270 (E_RNA) where: Base-Base interactions energy: -1173.143 where: short stacking energy: -474.527 Base-Backbone interact. energy: -2.871 local terms energy: -491.615637 where: bonds (distance) C4'-P energy: -88.328 bonds (distance) P-C4' energy: -77.639 flat angles C4'-P-C4' energy: -108.395 flat angles P-C4'-P energy: -71.844 tors. eta vs tors. theta energy: -145.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -1514.629110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.629110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.629110 (E_RNA) where: Base-Base interactions energy: -1068.291 where: short stacking energy: -446.070 Base-Backbone interact. energy: 2.536 local terms energy: -448.874300 where: bonds (distance) C4'-P energy: -81.818 bonds (distance) P-C4' energy: -79.245 flat angles C4'-P-C4' energy: -97.466 flat angles P-C4'-P energy: -71.740 tors. eta vs tors. theta energy: -118.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -1373.983854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.983854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.983854 (E_RNA) where: Base-Base interactions energy: -937.346 where: short stacking energy: -394.068 Base-Backbone interact. energy: -1.990 local terms energy: -434.648314 where: bonds (distance) C4'-P energy: -69.534 bonds (distance) P-C4' energy: -92.338 flat angles C4'-P-C4' energy: -97.522 flat angles P-C4'-P energy: -60.743 tors. eta vs tors. theta energy: -114.511 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: 9 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -1311.577581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.577581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.577581 (E_RNA) where: Base-Base interactions energy: -880.482 where: short stacking energy: -395.259 Base-Backbone interact. energy: -1.749 local terms energy: -429.345966 where: bonds (distance) C4'-P energy: -73.195 bonds (distance) P-C4' energy: -100.686 flat angles C4'-P-C4' energy: -98.946 flat angles P-C4'-P energy: -46.375 tors. eta vs tors. theta energy: -110.144 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: 1 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -1111.155629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.155629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.155629 (E_RNA) where: Base-Base interactions energy: -739.547 where: short stacking energy: -324.515 Base-Backbone interact. energy: -2.209 local terms energy: -369.399695 where: bonds (distance) C4'-P energy: -82.452 bonds (distance) P-C4' energy: -77.705 flat angles C4'-P-C4' energy: -78.896 flat angles P-C4'-P energy: -48.245 tors. eta vs tors. theta energy: -82.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -924.034680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.034680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.034680 (E_RNA) where: Base-Base interactions energy: -606.815 where: short stacking energy: -267.291 Base-Backbone interact. energy: -2.193 local terms energy: -315.027381 where: bonds (distance) C4'-P energy: -60.546 bonds (distance) P-C4' energy: -84.520 flat angles C4'-P-C4' energy: -71.943 flat angles P-C4'-P energy: -49.632 tors. eta vs tors. theta energy: -48.386 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: 2 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -583.932873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.932873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.932873 (E_RNA) where: Base-Base interactions energy: -253.576 where: short stacking energy: -154.859 Base-Backbone interact. energy: -1.594 local terms energy: -328.763233 where: bonds (distance) C4'-P energy: -99.921 bonds (distance) P-C4' energy: -92.689 flat angles C4'-P-C4' energy: -70.547 flat angles P-C4'-P energy: -48.450 tors. eta vs tors. theta energy: -17.156 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: 6 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1870.824978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.824978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.824978 (E_RNA) where: Base-Base interactions energy: -1330.083 where: short stacking energy: -567.047 Base-Backbone interact. energy: -0.064 local terms energy: -540.678130 where: bonds (distance) C4'-P energy: -91.500 bonds (distance) P-C4' energy: -98.046 flat angles C4'-P-C4' energy: -121.592 flat angles P-C4'-P energy: -71.288 tors. eta vs tors. theta energy: -158.252 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: 3 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1694.299184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.299184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.299184 (E_RNA) where: Base-Base interactions energy: -1191.092 where: short stacking energy: -520.149 Base-Backbone interact. energy: -1.690 local terms energy: -501.517200 where: bonds (distance) C4'-P energy: -77.864 bonds (distance) P-C4' energy: -103.895 flat angles C4'-P-C4' energy: -109.201 flat angles P-C4'-P energy: -72.633 tors. eta vs tors. theta energy: -137.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1712.786034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.786034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.786034 (E_RNA) where: Base-Base interactions energy: -1218.922 where: short stacking energy: -527.395 Base-Backbone interact. energy: -2.071 local terms energy: -491.793273 where: bonds (distance) C4'-P energy: -78.392 bonds (distance) P-C4' energy: -96.389 flat angles C4'-P-C4' energy: -105.396 flat angles P-C4'-P energy: -69.994 tors. eta vs tors. theta energy: -141.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1663.019791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.019791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.019791 (E_RNA) where: Base-Base interactions energy: -1180.837 where: short stacking energy: -497.608 Base-Backbone interact. energy: -2.864 local terms energy: -479.318187 where: bonds (distance) C4'-P energy: -89.447 bonds (distance) P-C4' energy: -89.710 flat angles C4'-P-C4' energy: -101.073 flat angles P-C4'-P energy: -64.083 tors. eta vs tors. theta energy: -135.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -1527.100682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.100682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.100682 (E_RNA) where: Base-Base interactions energy: -1048.947 where: short stacking energy: -444.638 Base-Backbone interact. energy: 1.427 local terms energy: -479.581258 where: bonds (distance) C4'-P energy: -82.615 bonds (distance) P-C4' energy: -85.585 flat angles C4'-P-C4' energy: -106.897 flat angles P-C4'-P energy: -73.918 tors. eta vs tors. theta energy: -130.566 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: 4 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -1404.406461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.406461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.406461 (E_RNA) where: Base-Base interactions energy: -948.945 where: short stacking energy: -413.502 Base-Backbone interact. energy: 0.916 local terms energy: -456.377885 where: bonds (distance) C4'-P energy: -89.805 bonds (distance) P-C4' energy: -88.609 flat angles C4'-P-C4' energy: -96.605 flat angles P-C4'-P energy: -72.839 tors. eta vs tors. theta energy: -108.519 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: 9 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -1344.741302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.741302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.741302 (E_RNA) where: Base-Base interactions energy: -928.547 where: short stacking energy: -413.919 Base-Backbone interact. energy: -1.916 local terms energy: -414.278683 where: bonds (distance) C4'-P energy: -72.189 bonds (distance) P-C4' energy: -85.057 flat angles C4'-P-C4' energy: -99.549 flat angles P-C4'-P energy: -59.651 tors. eta vs tors. theta energy: -97.832 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: 1 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -1131.196811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.196811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.196811 (E_RNA) where: Base-Base interactions energy: -762.540 where: short stacking energy: -335.490 Base-Backbone interact. energy: 1.650 local terms energy: -370.306666 where: bonds (distance) C4'-P energy: -84.364 bonds (distance) P-C4' energy: -93.212 flat angles C4'-P-C4' energy: -70.022 flat angles P-C4'-P energy: -48.059 tors. eta vs tors. theta energy: -74.650 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: 268 Temperature: 1.300000 Total energy: -911.312985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.312985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.312985 (E_RNA) where: Base-Base interactions energy: -571.522 where: short stacking energy: -269.970 Base-Backbone interact. energy: -2.186 local terms energy: -337.604969 where: bonds (distance) C4'-P energy: -64.994 bonds (distance) P-C4' energy: -86.133 flat angles C4'-P-C4' energy: -78.942 flat angles P-C4'-P energy: -58.394 tors. eta vs tors. theta energy: -49.141 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: 2 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -614.866869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.866869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.866869 (E_RNA) where: Base-Base interactions energy: -343.683 where: short stacking energy: -177.592 Base-Backbone interact. energy: 1.509 local terms energy: -272.692012 where: bonds (distance) C4'-P energy: -76.760 bonds (distance) P-C4' energy: -90.182 flat angles C4'-P-C4' energy: -61.066 flat angles P-C4'-P energy: -47.388 tors. eta vs tors. theta energy: 2.705 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: 6 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1880.522263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.522263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.522263 (E_RNA) where: Base-Base interactions energy: -1341.479 where: short stacking energy: -550.261 Base-Backbone interact. energy: -0.966 local terms energy: -538.077293 where: bonds (distance) C4'-P energy: -92.769 bonds (distance) P-C4' energy: -103.193 flat angles C4'-P-C4' energy: -111.822 flat angles P-C4'-P energy: -77.568 tors. eta vs tors. theta energy: -152.725 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: 3 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1703.423742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.423742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.423742 (E_RNA) where: Base-Base interactions energy: -1175.762 where: short stacking energy: -514.052 Base-Backbone interact. energy: -1.288 local terms energy: -526.373466 where: bonds (distance) C4'-P energy: -105.928 bonds (distance) P-C4' energy: -93.577 flat angles C4'-P-C4' energy: -118.224 flat angles P-C4'-P energy: -67.530 tors. eta vs tors. theta energy: -141.115 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: 269 Temperature: 1.000000 Total energy: -1731.413711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.413711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.413711 (E_RNA) where: Base-Base interactions energy: -1212.220 where: short stacking energy: -497.306 Base-Backbone interact. energy: -1.437 local terms energy: -517.756895 where: bonds (distance) C4'-P energy: -93.395 bonds (distance) P-C4' energy: -99.175 flat angles C4'-P-C4' energy: -108.123 flat angles P-C4'-P energy: -78.565 tors. eta vs tors. theta energy: -138.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1643.880519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.880519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.880519 (E_RNA) where: Base-Base interactions energy: -1143.207 where: short stacking energy: -490.855 Base-Backbone interact. energy: 4.142 local terms energy: -504.816041 where: bonds (distance) C4'-P energy: -86.720 bonds (distance) P-C4' energy: -90.001 flat angles C4'-P-C4' energy: -106.988 flat angles P-C4'-P energy: -71.607 tors. eta vs tors. theta energy: -149.500 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: 7 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -1492.764481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.764481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.764481 (E_RNA) where: Base-Base interactions energy: -1049.271 where: short stacking energy: -444.783 Base-Backbone interact. energy: -2.957 local terms energy: -440.536949 where: bonds (distance) C4'-P energy: -82.848 bonds (distance) P-C4' energy: -87.543 flat angles C4'-P-C4' energy: -94.036 flat angles P-C4'-P energy: -64.137 tors. eta vs tors. theta energy: -111.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -1415.701918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.701918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.701918 (E_RNA) where: Base-Base interactions energy: -990.482 where: short stacking energy: -413.247 Base-Backbone interact. energy: 0.836 local terms energy: -426.056059 where: bonds (distance) C4'-P energy: -93.137 bonds (distance) P-C4' energy: -83.414 flat angles C4'-P-C4' energy: -91.308 flat angles P-C4'-P energy: -51.429 tors. eta vs tors. theta energy: -106.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -1287.994517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.994517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.994517 (E_RNA) where: Base-Base interactions energy: -841.257 where: short stacking energy: -369.367 Base-Backbone interact. energy: -2.540 local terms energy: -444.198090 where: bonds (distance) C4'-P energy: -87.418 bonds (distance) P-C4' energy: -101.174 flat angles C4'-P-C4' energy: -95.278 flat angles P-C4'-P energy: -64.078 tors. eta vs tors. theta energy: -96.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -1101.117025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.117025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.117025 (E_RNA) where: Base-Base interactions energy: -743.987 where: short stacking energy: -335.842 Base-Backbone interact. energy: 0.013 local terms energy: -357.143386 where: bonds (distance) C4'-P energy: -73.549 bonds (distance) P-C4' energy: -73.192 flat angles C4'-P-C4' energy: -92.129 flat angles P-C4'-P energy: -50.958 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: 9, replica: 10 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -865.093934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.093934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.093934 (E_RNA) where: Base-Base interactions energy: -554.819 where: short stacking energy: -266.497 Base-Backbone interact. energy: 3.653 local terms energy: -313.928522 where: bonds (distance) C4'-P energy: -73.778 bonds (distance) P-C4' energy: -76.751 flat angles C4'-P-C4' energy: -84.418 flat angles P-C4'-P energy: -45.230 tors. eta vs tors. theta energy: -33.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -667.112620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.112620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.112620 (E_RNA) where: Base-Base interactions energy: -389.334 where: short stacking energy: -204.393 Base-Backbone interact. energy: 7.490 local terms energy: -285.269515 where: bonds (distance) C4'-P energy: -81.168 bonds (distance) P-C4' energy: -95.161 flat angles C4'-P-C4' energy: -62.430 flat angles P-C4'-P energy: -31.227 tors. eta vs tors. theta energy: -15.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1875.816841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.816841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.816841 (E_RNA) where: Base-Base interactions energy: -1336.071 where: short stacking energy: -586.255 Base-Backbone interact. energy: -2.559 local terms energy: -537.186885 where: bonds (distance) C4'-P energy: -84.597 bonds (distance) P-C4' energy: -100.482 flat angles C4'-P-C4' energy: -115.859 flat angles P-C4'-P energy: -79.802 tors. eta vs tors. theta energy: -156.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1734.533718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1734.533718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1734.533718 (E_RNA) where: Base-Base interactions energy: -1215.296 where: short stacking energy: -513.228 Base-Backbone interact. energy: -1.369 local terms energy: -517.868157 where: bonds (distance) C4'-P energy: -96.851 bonds (distance) P-C4' energy: -98.199 flat angles C4'-P-C4' energy: -118.743 flat angles P-C4'-P energy: -63.245 tors. eta vs tors. theta energy: -140.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1711.562146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.562146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.562146 (E_RNA) where: Base-Base interactions energy: -1202.499 where: short stacking energy: -501.571 Base-Backbone interact. energy: 0.779 local terms energy: -509.841932 where: bonds (distance) C4'-P energy: -89.107 bonds (distance) P-C4' energy: -104.085 flat angles C4'-P-C4' energy: -106.244 flat angles P-C4'-P energy: -76.487 tors. eta vs tors. theta energy: -133.918 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: 8 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1648.286321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.286321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.286321 (E_RNA) where: Base-Base interactions energy: -1134.984 where: short stacking energy: -478.909 Base-Backbone interact. energy: -1.438 local terms energy: -511.864573 where: bonds (distance) C4'-P energy: -92.980 bonds (distance) P-C4' energy: -99.642 flat angles C4'-P-C4' energy: -99.324 flat angles P-C4'-P energy: -77.760 tors. eta vs tors. theta energy: -142.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -1520.413816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1520.413816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1520.413816 (E_RNA) where: Base-Base interactions energy: -1057.671 where: short stacking energy: -442.267 Base-Backbone interact. energy: -1.353 local terms energy: -461.390317 where: bonds (distance) C4'-P energy: -93.962 bonds (distance) P-C4' energy: -84.451 flat angles C4'-P-C4' energy: -101.264 flat angles P-C4'-P energy: -78.499 tors. eta vs tors. theta energy: -103.214 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: 4 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -1438.226648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.226648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.226648 (E_RNA) where: Base-Base interactions energy: -1008.466 where: short stacking energy: -419.490 Base-Backbone interact. energy: -0.679 local terms energy: -429.081889 where: bonds (distance) C4'-P energy: -67.315 bonds (distance) P-C4' energy: -89.228 flat angles C4'-P-C4' energy: -91.691 flat angles P-C4'-P energy: -57.806 tors. eta vs tors. theta energy: -123.043 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: 1 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -1130.335090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.335090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.335090 (E_RNA) where: Base-Base interactions energy: -735.242 where: short stacking energy: -336.947 Base-Backbone interact. energy: 2.659 local terms energy: -397.751237 where: bonds (distance) C4'-P energy: -73.970 bonds (distance) P-C4' energy: -88.807 flat angles C4'-P-C4' energy: -90.392 flat angles P-C4'-P energy: -59.852 tors. eta vs tors. theta energy: -84.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -1236.889168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.889168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.889168 (E_RNA) where: Base-Base interactions energy: -853.781 where: short stacking energy: -367.393 Base-Backbone interact. energy: 0.855 local terms energy: -383.963266 where: bonds (distance) C4'-P energy: -58.982 bonds (distance) P-C4' energy: -97.012 flat angles C4'-P-C4' energy: -86.421 flat angles P-C4'-P energy: -49.682 tors. eta vs tors. theta energy: -91.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -868.651623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.651623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.651623 (E_RNA) where: Base-Base interactions energy: -528.888 where: short stacking energy: -237.317 Base-Backbone interact. energy: -2.192 local terms energy: -337.571466 where: bonds (distance) C4'-P energy: -76.090 bonds (distance) P-C4' energy: -97.763 flat angles C4'-P-C4' energy: -80.723 flat angles P-C4'-P energy: -62.059 tors. eta vs tors. theta energy: -20.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -656.232237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.232237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.232237 (E_RNA) where: Base-Base interactions energy: -370.541 where: short stacking energy: -193.973 Base-Backbone interact. energy: -2.497 local terms energy: -283.194483 where: bonds (distance) C4'-P energy: -71.983 bonds (distance) P-C4' energy: -80.392 flat angles C4'-P-C4' energy: -68.361 flat angles P-C4'-P energy: -41.003 tors. eta vs tors. theta energy: -21.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1868.545547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.545547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.545547 (E_RNA) where: Base-Base interactions energy: -1322.017 where: short stacking energy: -532.075 Base-Backbone interact. energy: -0.174 local terms energy: -546.354394 where: bonds (distance) C4'-P energy: -87.140 bonds (distance) P-C4' energy: -101.530 flat angles C4'-P-C4' energy: -115.441 flat angles P-C4'-P energy: -91.652 tors. eta vs tors. theta energy: -150.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1739.072352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.072352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.072352 (E_RNA) where: Base-Base interactions energy: -1228.361 where: short stacking energy: -524.205 Base-Backbone interact. energy: -1.989 local terms energy: -508.721516 where: bonds (distance) C4'-P energy: -89.478 bonds (distance) P-C4' energy: -95.639 flat angles C4'-P-C4' energy: -115.926 flat angles P-C4'-P energy: -63.185 tors. eta vs tors. theta energy: -144.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1716.237050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.237050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.237050 (E_RNA) where: Base-Base interactions energy: -1210.296 where: short stacking energy: -511.293 Base-Backbone interact. energy: -4.635 local terms energy: -501.306150 where: bonds (distance) C4'-P energy: -89.929 bonds (distance) P-C4' energy: -90.723 flat angles C4'-P-C4' energy: -115.066 flat angles P-C4'-P energy: -67.236 tors. eta vs tors. theta energy: -138.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1676.666525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.666525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.666525 (E_RNA) where: Base-Base interactions energy: -1177.072 where: short stacking energy: -503.799 Base-Backbone interact. energy: -4.737 local terms energy: -494.856693 where: bonds (distance) C4'-P energy: -83.673 bonds (distance) P-C4' energy: -85.493 flat angles C4'-P-C4' energy: -104.786 flat angles P-C4'-P energy: -75.594 tors. eta vs tors. theta energy: -145.311 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: 271 Temperature: 1.100000 Total energy: -1504.630426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.630426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.630426 (E_RNA) where: Base-Base interactions energy: -1063.636 where: short stacking energy: -448.278 Base-Backbone interact. energy: 0.750 local terms energy: -441.743979 where: bonds (distance) C4'-P energy: -82.299 bonds (distance) P-C4' energy: -76.448 flat angles C4'-P-C4' energy: -98.452 flat angles P-C4'-P energy: -67.478 tors. eta vs tors. theta energy: -117.068 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: 4 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -1385.784140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.784140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.784140 (E_RNA) where: Base-Base interactions energy: -944.268 where: short stacking energy: -389.494 Base-Backbone interact. energy: -2.714 local terms energy: -438.802745 where: bonds (distance) C4'-P energy: -82.676 bonds (distance) P-C4' energy: -104.611 flat angles C4'-P-C4' energy: -100.298 flat angles P-C4'-P energy: -62.364 tors. eta vs tors. theta energy: -88.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -1163.034322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.034322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.034322 (E_RNA) where: Base-Base interactions energy: -800.374 where: short stacking energy: -376.567 Base-Backbone interact. energy: -5.052 local terms energy: -357.607549 where: bonds (distance) C4'-P energy: -79.697 bonds (distance) P-C4' energy: -70.939 flat angles C4'-P-C4' energy: -77.412 flat angles P-C4'-P energy: -53.073 tors. eta vs tors. theta energy: -76.487 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: 8, replica: 9 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -1193.035002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.035002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.035002 (E_RNA) where: Base-Base interactions energy: -823.409 where: short stacking energy: -353.363 Base-Backbone interact. energy: 1.289 local terms energy: -370.915102 where: bonds (distance) C4'-P energy: -76.910 bonds (distance) P-C4' energy: -85.119 flat angles C4'-P-C4' energy: -61.285 flat angles P-C4'-P energy: -60.286 tors. eta vs tors. theta energy: -87.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -958.672539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.672539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.672539 (E_RNA) where: Base-Base interactions energy: -607.402 where: short stacking energy: -269.414 Base-Backbone interact. energy: 0.651 local terms energy: -351.921320 where: bonds (distance) C4'-P energy: -85.261 bonds (distance) P-C4' energy: -79.832 flat angles C4'-P-C4' energy: -92.739 flat angles P-C4'-P energy: -42.209 tors. eta vs tors. theta energy: -51.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -632.389236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.389236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.389236 (E_RNA) where: Base-Base interactions energy: -366.963 where: short stacking energy: -198.591 Base-Backbone interact. energy: -1.234 local terms energy: -264.192466 where: bonds (distance) C4'-P energy: -78.048 bonds (distance) P-C4' energy: -71.558 flat angles C4'-P-C4' energy: -51.197 flat angles P-C4'-P energy: -43.748 tors. eta vs tors. theta energy: -19.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1847.036811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.036811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.036811 (E_RNA) where: Base-Base interactions energy: -1307.714 where: short stacking energy: -534.803 Base-Backbone interact. energy: -2.371 local terms energy: -536.951715 where: bonds (distance) C4'-P energy: -89.661 bonds (distance) P-C4' energy: -111.059 flat angles C4'-P-C4' energy: -110.044 flat angles P-C4'-P energy: -72.226 tors. eta vs tors. theta energy: -153.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1711.984699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.984699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.984699 (E_RNA) where: Base-Base interactions energy: -1207.470 where: short stacking energy: -510.315 Base-Backbone interact. energy: -1.733 local terms energy: -502.781440 where: bonds (distance) C4'-P energy: -89.249 bonds (distance) P-C4' energy: -96.622 flat angles C4'-P-C4' energy: -110.183 flat angles P-C4'-P energy: -66.090 tors. eta vs tors. theta energy: -140.637 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: 272 Temperature: 1.000000 Total energy: -1694.927003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.927003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.927003 (E_RNA) where: Base-Base interactions energy: -1188.525 where: short stacking energy: -501.585 Base-Backbone interact. energy: -0.123 local terms energy: -506.278384 where: bonds (distance) C4'-P energy: -88.901 bonds (distance) P-C4' energy: -91.806 flat angles C4'-P-C4' energy: -106.350 flat angles P-C4'-P energy: -79.925 tors. eta vs tors. theta energy: -139.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1684.813167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.813167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.813167 (E_RNA) where: Base-Base interactions energy: -1175.379 where: short stacking energy: -501.344 Base-Backbone interact. energy: 0.352 local terms energy: -509.786156 where: bonds (distance) C4'-P energy: -92.442 bonds (distance) P-C4' energy: -88.493 flat angles C4'-P-C4' energy: -106.441 flat angles P-C4'-P energy: -74.524 tors. eta vs tors. theta energy: -147.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -1537.838446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1537.838446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1537.838446 (E_RNA) where: Base-Base interactions energy: -1088.279 where: short stacking energy: -437.749 Base-Backbone interact. energy: 2.448 local terms energy: -452.007398 where: bonds (distance) C4'-P energy: -83.800 bonds (distance) P-C4' energy: -76.375 flat angles C4'-P-C4' energy: -107.946 flat angles P-C4'-P energy: -69.130 tors. eta vs tors. theta energy: -114.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -1421.831338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.831338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.831338 (E_RNA) where: Base-Base interactions energy: -972.064 where: short stacking energy: -414.728 Base-Backbone interact. energy: -2.717 local terms energy: -447.051108 where: bonds (distance) C4'-P energy: -86.273 bonds (distance) P-C4' energy: -83.279 flat angles C4'-P-C4' energy: -101.929 flat angles P-C4'-P energy: -71.721 tors. eta vs tors. theta energy: -103.850 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: 1 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -1189.089701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.089701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.089701 (E_RNA) where: Base-Base interactions energy: -797.034 where: short stacking energy: -351.339 Base-Backbone interact. energy: -1.524 local terms energy: -390.531214 where: bonds (distance) C4'-P energy: -83.684 bonds (distance) P-C4' energy: -92.567 flat angles C4'-P-C4' energy: -95.061 flat angles P-C4'-P energy: -41.978 tors. eta vs tors. theta energy: -77.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -1179.773875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.773875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.773875 (E_RNA) where: Base-Base interactions energy: -803.286 where: short stacking energy: -365.919 Base-Backbone interact. energy: 5.792 local terms energy: -382.280676 where: bonds (distance) C4'-P energy: -86.667 bonds (distance) P-C4' energy: -92.160 flat angles C4'-P-C4' energy: -80.106 flat angles P-C4'-P energy: -41.382 tors. eta vs tors. theta energy: -81.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -881.528595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.528595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.528595 (E_RNA) where: Base-Base interactions energy: -543.298 where: short stacking energy: -242.328 Base-Backbone interact. energy: 2.445 local terms energy: -340.674789 where: bonds (distance) C4'-P energy: -77.849 bonds (distance) P-C4' energy: -82.319 flat angles C4'-P-C4' energy: -87.976 flat angles P-C4'-P energy: -52.877 tors. eta vs tors. theta energy: -39.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -658.455599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.455599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.455599 (E_RNA) where: Base-Base interactions energy: -374.086 where: short stacking energy: -195.798 Base-Backbone interact. energy: 0.012 local terms energy: -284.382057 where: bonds (distance) C4'-P energy: -70.615 bonds (distance) P-C4' energy: -71.310 flat angles C4'-P-C4' energy: -73.045 flat angles P-C4'-P energy: -51.987 tors. eta vs tors. theta energy: -17.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1864.110273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.110273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.110273 (E_RNA) where: Base-Base interactions energy: -1321.188 where: short stacking energy: -550.721 Base-Backbone interact. energy: -1.803 local terms energy: -541.119285 where: bonds (distance) C4'-P energy: -95.540 bonds (distance) P-C4' energy: -98.980 flat angles C4'-P-C4' energy: -116.249 flat angles P-C4'-P energy: -73.637 tors. eta vs tors. theta energy: -156.714 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: 273 Temperature: 0.950000 Total energy: -1739.566762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.566762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.566762 (E_RNA) where: Base-Base interactions energy: -1218.851 where: short stacking energy: -532.739 Base-Backbone interact. energy: 0.510 local terms energy: -521.225772 where: bonds (distance) C4'-P energy: -87.146 bonds (distance) P-C4' energy: -99.844 flat angles C4'-P-C4' energy: -109.009 flat angles P-C4'-P energy: -85.863 tors. eta vs tors. theta energy: -139.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1680.655425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.655425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.655425 (E_RNA) where: Base-Base interactions energy: -1203.979 where: short stacking energy: -498.443 Base-Backbone interact. energy: 1.940 local terms energy: -478.615854 where: bonds (distance) C4'-P energy: -78.337 bonds (distance) P-C4' energy: -84.457 flat angles C4'-P-C4' energy: -111.905 flat angles P-C4'-P energy: -71.735 tors. eta vs tors. theta energy: -132.183 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: 8 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1646.907626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.907626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.907626 (E_RNA) where: Base-Base interactions energy: -1150.936 where: short stacking energy: -500.600 Base-Backbone interact. energy: 3.914 local terms energy: -499.885714 where: bonds (distance) C4'-P energy: -90.043 bonds (distance) P-C4' energy: -98.823 flat angles C4'-P-C4' energy: -102.883 flat angles P-C4'-P energy: -64.441 tors. eta vs tors. theta energy: -143.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -1548.076452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.076452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.076452 (E_RNA) where: Base-Base interactions energy: -1106.892 where: short stacking energy: -444.203 Base-Backbone interact. energy: -3.497 local terms energy: -437.687881 where: bonds (distance) C4'-P energy: -81.984 bonds (distance) P-C4' energy: -91.827 flat angles C4'-P-C4' energy: -90.306 flat angles P-C4'-P energy: -63.506 tors. eta vs tors. theta energy: -110.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -1438.854842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.854842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.854842 (E_RNA) where: Base-Base interactions energy: -1001.457 where: short stacking energy: -446.681 Base-Backbone interact. energy: 0.525 local terms energy: -437.923396 where: bonds (distance) C4'-P energy: -81.393 bonds (distance) P-C4' energy: -90.352 flat angles C4'-P-C4' energy: -92.523 flat angles P-C4'-P energy: -58.764 tors. eta vs tors. theta energy: -114.891 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: 1 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -1137.875278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.875278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.875278 (E_RNA) where: Base-Base interactions energy: -750.659 where: short stacking energy: -348.978 Base-Backbone interact. energy: -1.501 local terms energy: -385.715449 where: bonds (distance) C4'-P energy: -81.992 bonds (distance) P-C4' energy: -83.721 flat angles C4'-P-C4' energy: -85.885 flat angles P-C4'-P energy: -48.880 tors. eta vs tors. theta energy: -85.239 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: 9 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -1182.574866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.574866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.574866 (E_RNA) where: Base-Base interactions energy: -788.281 where: short stacking energy: -345.375 Base-Backbone interact. energy: -2.630 local terms energy: -391.663563 where: bonds (distance) C4'-P energy: -75.103 bonds (distance) P-C4' energy: -82.581 flat angles C4'-P-C4' energy: -91.978 flat angles P-C4'-P energy: -61.430 tors. eta vs tors. theta energy: -80.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -887.684460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.684460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.684460 (E_RNA) where: Base-Base interactions energy: -540.448 where: short stacking energy: -244.742 Base-Backbone interact. energy: -1.568 local terms energy: -345.669249 where: bonds (distance) C4'-P energy: -80.654 bonds (distance) P-C4' energy: -76.906 flat angles C4'-P-C4' energy: -88.627 flat angles P-C4'-P energy: -47.976 tors. eta vs tors. theta energy: -51.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -585.900044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.900044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.900044 (E_RNA) where: Base-Base interactions energy: -317.525 where: short stacking energy: -166.994 Base-Backbone interact. energy: 1.027 local terms energy: -269.402256 where: bonds (distance) C4'-P energy: -83.368 bonds (distance) P-C4' energy: -79.544 flat angles C4'-P-C4' energy: -70.899 flat angles P-C4'-P energy: -31.987 tors. eta vs tors. theta energy: -3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1870.055638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.055638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.055638 (E_RNA) where: Base-Base interactions energy: -1311.977 where: short stacking energy: -551.944 Base-Backbone interact. energy: -2.220 local terms energy: -555.859172 where: bonds (distance) C4'-P energy: -88.359 bonds (distance) P-C4' energy: -105.981 flat angles C4'-P-C4' energy: -121.980 flat angles P-C4'-P energy: -89.207 tors. eta vs tors. theta energy: -150.333 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: 274 Temperature: 0.950000 Total energy: -1744.295503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.295503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.295503 (E_RNA) where: Base-Base interactions energy: -1224.817 where: short stacking energy: -519.612 Base-Backbone interact. energy: -2.015 local terms energy: -517.463729 where: bonds (distance) C4'-P energy: -99.351 bonds (distance) P-C4' energy: -94.910 flat angles C4'-P-C4' energy: -106.338 flat angles P-C4'-P energy: -63.904 tors. eta vs tors. theta energy: -152.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1735.740685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.740685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.740685 (E_RNA) where: Base-Base interactions energy: -1221.047 where: short stacking energy: -516.946 Base-Backbone interact. energy: -2.280 local terms energy: -512.414026 where: bonds (distance) C4'-P energy: -89.004 bonds (distance) P-C4' energy: -93.880 flat angles C4'-P-C4' energy: -116.700 flat angles P-C4'-P energy: -67.008 tors. eta vs tors. theta energy: -145.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1618.459269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.459269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.459269 (E_RNA) where: Base-Base interactions energy: -1126.436 where: short stacking energy: -455.945 Base-Backbone interact. energy: -2.454 local terms energy: -489.569378 where: bonds (distance) C4'-P energy: -99.500 bonds (distance) P-C4' energy: -94.684 flat angles C4'-P-C4' energy: -105.139 flat angles P-C4'-P energy: -64.152 tors. eta vs tors. theta energy: -126.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -1504.844168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.844168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.844168 (E_RNA) where: Base-Base interactions energy: -1047.793 where: short stacking energy: -453.491 Base-Backbone interact. energy: -1.446 local terms energy: -455.605682 where: bonds (distance) C4'-P energy: -87.303 bonds (distance) P-C4' energy: -96.367 flat angles C4'-P-C4' energy: -92.712 flat angles P-C4'-P energy: -65.532 tors. eta vs tors. theta energy: -113.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -1399.358265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.358265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.358265 (E_RNA) where: Base-Base interactions energy: -943.606 where: short stacking energy: -419.884 Base-Backbone interact. energy: -2.384 local terms energy: -453.368355 where: bonds (distance) C4'-P energy: -78.251 bonds (distance) P-C4' energy: -92.739 flat angles C4'-P-C4' energy: -110.640 flat angles P-C4'-P energy: -46.542 tors. eta vs tors. theta energy: -125.196 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: 9 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -1297.551074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.551074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.551074 (E_RNA) where: Base-Base interactions energy: -877.314 where: short stacking energy: -389.008 Base-Backbone interact. energy: 0.217 local terms energy: -420.454406 where: bonds (distance) C4'-P energy: -87.765 bonds (distance) P-C4' energy: -89.102 flat angles C4'-P-C4' energy: -88.673 flat angles P-C4'-P energy: -62.122 tors. eta vs tors. theta energy: -92.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -1092.785985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.785985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.785985 (E_RNA) where: Base-Base interactions energy: -740.896 where: short stacking energy: -334.189 Base-Backbone interact. energy: 1.510 local terms energy: -353.400356 where: bonds (distance) C4'-P energy: -69.572 bonds (distance) P-C4' energy: -87.988 flat angles C4'-P-C4' energy: -71.835 flat angles P-C4'-P energy: -53.321 tors. eta vs tors. theta energy: -70.684 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: 274 Temperature: 1.300000 Total energy: -885.110411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.110411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.110411 (E_RNA) where: Base-Base interactions energy: -565.518 where: short stacking energy: -262.695 Base-Backbone interact. energy: -2.811 local terms energy: -316.781467 where: bonds (distance) C4'-P energy: -79.222 bonds (distance) P-C4' energy: -91.184 flat angles C4'-P-C4' energy: -70.083 flat angles P-C4'-P energy: -32.245 tors. eta vs tors. theta energy: -44.046 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: 10, replica: 2 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -536.926142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.926142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.926142 (E_RNA) where: Base-Base interactions energy: -285.598 where: short stacking energy: -156.600 Base-Backbone interact. energy: -0.932 local terms energy: -250.396227 where: bonds (distance) C4'-P energy: -64.844 bonds (distance) P-C4' energy: -78.786 flat angles C4'-P-C4' energy: -76.671 flat angles P-C4'-P energy: -25.753 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1855.054071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.054071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.054071 (E_RNA) where: Base-Base interactions energy: -1309.751 where: short stacking energy: -543.703 Base-Backbone interact. energy: -1.570 local terms energy: -543.733482 where: bonds (distance) C4'-P energy: -91.010 bonds (distance) P-C4' energy: -95.703 flat angles C4'-P-C4' energy: -109.489 flat angles P-C4'-P energy: -84.785 tors. eta vs tors. theta energy: -162.746 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: 3 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1742.350257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.350257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.350257 (E_RNA) where: Base-Base interactions energy: -1207.722 where: short stacking energy: -508.325 Base-Backbone interact. energy: -2.895 local terms energy: -531.732686 where: bonds (distance) C4'-P energy: -97.185 bonds (distance) P-C4' energy: -100.269 flat angles C4'-P-C4' energy: -114.286 flat angles P-C4'-P energy: -81.336 tors. eta vs tors. theta energy: -138.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1717.444890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.444890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.444890 (E_RNA) where: Base-Base interactions energy: -1199.991 where: short stacking energy: -525.265 Base-Backbone interact. energy: -3.267 local terms energy: -514.186546 where: bonds (distance) C4'-P energy: -92.171 bonds (distance) P-C4' energy: -92.114 flat angles C4'-P-C4' energy: -112.305 flat angles P-C4'-P energy: -70.522 tors. eta vs tors. theta energy: -147.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -1604.193229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.193229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.193229 (E_RNA) where: Base-Base interactions energy: -1119.440 where: short stacking energy: -492.167 Base-Backbone interact. energy: -1.653 local terms energy: -483.100142 where: bonds (distance) C4'-P energy: -99.328 bonds (distance) P-C4' energy: -92.449 flat angles C4'-P-C4' energy: -106.122 flat angles P-C4'-P energy: -60.825 tors. eta vs tors. theta energy: -124.377 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: 5, replica: 5 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -1578.598712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.598712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.598712 (E_RNA) where: Base-Base interactions energy: -1091.943 where: short stacking energy: -439.529 Base-Backbone interact. energy: -2.270 local terms energy: -484.385280 where: bonds (distance) C4'-P energy: -97.029 bonds (distance) P-C4' energy: -88.839 flat angles C4'-P-C4' energy: -100.012 flat angles P-C4'-P energy: -76.831 tors. eta vs tors. theta energy: -121.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -1372.855537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.855537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.855537 (E_RNA) where: Base-Base interactions energy: -935.182 where: short stacking energy: -400.369 Base-Backbone interact. energy: -0.777 local terms energy: -436.896869 where: bonds (distance) C4'-P energy: -89.374 bonds (distance) P-C4' energy: -90.002 flat angles C4'-P-C4' energy: -88.172 flat angles P-C4'-P energy: -54.674 tors. eta vs tors. theta energy: -114.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -1319.727280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.727280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.727280 (E_RNA) where: Base-Base interactions energy: -907.414 where: short stacking energy: -390.913 Base-Backbone interact. energy: -0.678 local terms energy: -411.634920 where: bonds (distance) C4'-P energy: -65.399 bonds (distance) P-C4' energy: -91.513 flat angles C4'-P-C4' energy: -96.024 flat angles P-C4'-P energy: -51.856 tors. eta vs tors. theta energy: -106.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -1108.059676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.059676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.059676 (E_RNA) where: Base-Base interactions energy: -747.920 where: short stacking energy: -347.004 Base-Backbone interact. energy: -1.358 local terms energy: -358.781243 where: bonds (distance) C4'-P energy: -65.651 bonds (distance) P-C4' energy: -86.383 flat angles C4'-P-C4' energy: -75.931 flat angles P-C4'-P energy: -49.902 tors. eta vs tors. theta energy: -80.914 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: 10 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -872.343794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.343794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.343794 (E_RNA) where: Base-Base interactions energy: -556.688 where: short stacking energy: -236.806 Base-Backbone interact. energy: -2.476 local terms energy: -313.179736 where: bonds (distance) C4'-P energy: -83.021 bonds (distance) P-C4' energy: -67.526 flat angles C4'-P-C4' energy: -73.035 flat angles P-C4'-P energy: -51.358 tors. eta vs tors. theta energy: -38.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -584.609426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.609426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.609426 (E_RNA) where: Base-Base interactions energy: -300.382 where: short stacking energy: -173.356 Base-Backbone interact. energy: 0.022 local terms energy: -284.249056 where: bonds (distance) C4'-P energy: -79.456 bonds (distance) P-C4' energy: -66.396 flat angles C4'-P-C4' energy: -83.081 flat angles P-C4'-P energy: -31.316 tors. eta vs tors. theta energy: -24.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1868.645943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.645943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.645943 (E_RNA) where: Base-Base interactions energy: -1330.803 where: short stacking energy: -558.068 Base-Backbone interact. energy: 0.107 local terms energy: -537.949977 where: bonds (distance) C4'-P energy: -95.826 bonds (distance) P-C4' energy: -95.646 flat angles C4'-P-C4' energy: -117.330 flat angles P-C4'-P energy: -73.530 tors. eta vs tors. theta energy: -155.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1745.936689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.936689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.936689 (E_RNA) where: Base-Base interactions energy: -1229.127 where: short stacking energy: -511.462 Base-Backbone interact. energy: -1.728 local terms energy: -515.082035 where: bonds (distance) C4'-P energy: -92.807 bonds (distance) P-C4' energy: -92.884 flat angles C4'-P-C4' energy: -115.605 flat angles P-C4'-P energy: -73.344 tors. eta vs tors. theta energy: -140.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -1714.639948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.639948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.639948 (E_RNA) where: Base-Base interactions energy: -1223.361 where: short stacking energy: -497.759 Base-Backbone interact. energy: -2.461 local terms energy: -488.818215 where: bonds (distance) C4'-P energy: -76.526 bonds (distance) P-C4' energy: -84.167 flat angles C4'-P-C4' energy: -106.785 flat angles P-C4'-P energy: -71.614 tors. eta vs tors. theta energy: -149.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -1623.445422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.445422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.445422 (E_RNA) where: Base-Base interactions energy: -1144.889 where: short stacking energy: -466.904 Base-Backbone interact. energy: -1.193 local terms energy: -477.363334 where: bonds (distance) C4'-P energy: -86.999 bonds (distance) P-C4' energy: -85.331 flat angles C4'-P-C4' energy: -103.775 flat angles P-C4'-P energy: -71.906 tors. eta vs tors. theta energy: -129.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -1596.019719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.019719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.019719 (E_RNA) where: Base-Base interactions energy: -1128.722 where: short stacking energy: -465.295 Base-Backbone interact. energy: -3.966 local terms energy: -463.330981 where: bonds (distance) C4'-P energy: -80.486 bonds (distance) P-C4' energy: -89.854 flat angles C4'-P-C4' energy: -98.308 flat angles P-C4'-P energy: -69.165 tors. eta vs tors. theta energy: -125.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -1393.649991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.649991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.649991 (E_RNA) where: Base-Base interactions energy: -958.929 where: short stacking energy: -413.700 Base-Backbone interact. energy: 3.801 local terms energy: -438.521970 where: bonds (distance) C4'-P energy: -76.210 bonds (distance) P-C4' energy: -89.843 flat angles C4'-P-C4' energy: -97.586 flat angles P-C4'-P energy: -70.329 tors. eta vs tors. theta energy: -104.555 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: 7, replica: 9 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -1353.658795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1353.658795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1353.658795 (E_RNA) where: Base-Base interactions energy: -922.007 where: short stacking energy: -397.888 Base-Backbone interact. energy: 1.861 local terms energy: -433.513631 where: bonds (distance) C4'-P energy: -79.370 bonds (distance) P-C4' energy: -73.599 flat angles C4'-P-C4' energy: -94.930 flat angles P-C4'-P energy: -77.006 tors. eta vs tors. theta energy: -108.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -1127.941643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.941643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.941643 (E_RNA) where: Base-Base interactions energy: -774.787 where: short stacking energy: -327.385 Base-Backbone interact. energy: -1.295 local terms energy: -351.859102 where: bonds (distance) C4'-P energy: -77.251 bonds (distance) P-C4' energy: -83.287 flat angles C4'-P-C4' energy: -77.647 flat angles P-C4'-P energy: -53.880 tors. eta vs tors. theta energy: -59.793 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: 10 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -897.743972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.743972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.743972 (E_RNA) where: Base-Base interactions energy: -603.468 where: short stacking energy: -273.467 Base-Backbone interact. energy: 0.563 local terms energy: -294.839198 where: bonds (distance) C4'-P energy: -72.957 bonds (distance) P-C4' energy: -63.612 flat angles C4'-P-C4' energy: -72.919 flat angles P-C4'-P energy: -58.902 tors. eta vs tors. theta energy: -26.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -592.042689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.042689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.042689 (E_RNA) where: Base-Base interactions energy: -302.709 where: short stacking energy: -178.368 Base-Backbone interact. energy: 1.171 local terms energy: -290.504482 where: bonds (distance) C4'-P energy: -80.351 bonds (distance) P-C4' energy: -82.355 flat angles C4'-P-C4' energy: -75.183 flat angles P-C4'-P energy: -45.428 tors. eta vs tors. theta energy: -7.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1878.411411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.411411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.411411 (E_RNA) where: Base-Base interactions energy: -1321.558 where: short stacking energy: -543.772 Base-Backbone interact. energy: -4.394 local terms energy: -552.459761 where: bonds (distance) C4'-P energy: -94.450 bonds (distance) P-C4' energy: -107.244 flat angles C4'-P-C4' energy: -113.887 flat angles P-C4'-P energy: -81.809 tors. eta vs tors. theta energy: -155.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -1733.753398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.753398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.753398 (E_RNA) where: Base-Base interactions energy: -1210.656 where: short stacking energy: -506.596 Base-Backbone interact. energy: -0.945 local terms energy: -522.151738 where: bonds (distance) C4'-P energy: -91.791 bonds (distance) P-C4' energy: -98.495 flat angles C4'-P-C4' energy: -111.545 flat angles P-C4'-P energy: -79.044 tors. eta vs tors. theta energy: -141.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1696.740872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.740872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.740872 (E_RNA) where: Base-Base interactions energy: -1163.036 where: short stacking energy: -508.339 Base-Backbone interact. energy: -2.188 local terms energy: -531.516982 where: bonds (distance) C4'-P energy: -88.275 bonds (distance) P-C4' energy: -93.188 flat angles C4'-P-C4' energy: -123.020 flat angles P-C4'-P energy: -80.463 tors. eta vs tors. theta energy: -146.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1628.523474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.523474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.523474 (E_RNA) where: Base-Base interactions energy: -1162.203 where: short stacking energy: -481.745 Base-Backbone interact. energy: -1.479 local terms energy: -464.840712 where: bonds (distance) C4'-P energy: -86.306 bonds (distance) P-C4' energy: -88.653 flat angles C4'-P-C4' energy: -99.673 flat angles P-C4'-P energy: -63.955 tors. eta vs tors. theta energy: -126.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -1585.865386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.865386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.865386 (E_RNA) where: Base-Base interactions energy: -1103.743 where: short stacking energy: -475.891 Base-Backbone interact. energy: -2.025 local terms energy: -480.097603 where: bonds (distance) C4'-P energy: -73.780 bonds (distance) P-C4' energy: -102.306 flat angles C4'-P-C4' energy: -105.124 flat angles P-C4'-P energy: -71.620 tors. eta vs tors. theta energy: -127.267 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: 4 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -1444.333731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.333731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.333731 (E_RNA) where: Base-Base interactions energy: -993.255 where: short stacking energy: -437.338 Base-Backbone interact. energy: 0.484 local terms energy: -451.562834 where: bonds (distance) C4'-P energy: -90.051 bonds (distance) P-C4' energy: -80.194 flat angles C4'-P-C4' energy: -109.127 flat angles P-C4'-P energy: -60.837 tors. eta vs tors. theta energy: -111.354 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: 9 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -1309.731750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.731750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.731750 (E_RNA) where: Base-Base interactions energy: -891.803 where: short stacking energy: -379.066 Base-Backbone interact. energy: 0.337 local terms energy: -418.265538 where: bonds (distance) C4'-P energy: -83.134 bonds (distance) P-C4' energy: -87.503 flat angles C4'-P-C4' energy: -90.478 flat angles P-C4'-P energy: -59.381 tors. eta vs tors. theta energy: -97.769 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: 1 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -1140.076499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.076499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.076499 (E_RNA) where: Base-Base interactions energy: -756.654 where: short stacking energy: -332.607 Base-Backbone interact. energy: -3.304 local terms energy: -380.118766 where: bonds (distance) C4'-P energy: -89.262 bonds (distance) P-C4' energy: -77.158 flat angles C4'-P-C4' energy: -88.102 flat angles P-C4'-P energy: -58.530 tors. eta vs tors. theta energy: -67.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -857.678545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.678545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.678545 (E_RNA) where: Base-Base interactions energy: -518.778 where: short stacking energy: -236.042 Base-Backbone interact. energy: -2.443 local terms energy: -336.457302 where: bonds (distance) C4'-P energy: -83.602 bonds (distance) P-C4' energy: -85.344 flat angles C4'-P-C4' energy: -84.007 flat angles P-C4'-P energy: -57.725 tors. eta vs tors. theta energy: -25.780 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: 2 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -569.015095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.015095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.015095 (E_RNA) where: Base-Base interactions energy: -299.248 where: short stacking energy: -189.689 Base-Backbone interact. energy: 0.071 local terms energy: -269.837880 where: bonds (distance) C4'-P energy: -66.566 bonds (distance) P-C4' energy: -74.782 flat angles C4'-P-C4' energy: -76.948 flat angles P-C4'-P energy: -34.206 tors. eta vs tors. theta energy: -17.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1871.423945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.423945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.423945 (E_RNA) where: Base-Base interactions energy: -1326.210 where: short stacking energy: -568.443 Base-Backbone interact. energy: 0.769 local terms energy: -545.982567 where: bonds (distance) C4'-P energy: -109.833 bonds (distance) P-C4' energy: -102.827 flat angles C4'-P-C4' energy: -107.663 flat angles P-C4'-P energy: -68.849 tors. eta vs tors. theta energy: -156.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1726.333960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.333960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.333960 (E_RNA) where: Base-Base interactions energy: -1221.396 where: short stacking energy: -533.223 Base-Backbone interact. energy: -2.748 local terms energy: -502.190620 where: bonds (distance) C4'-P energy: -85.634 bonds (distance) P-C4' energy: -83.481 flat angles C4'-P-C4' energy: -113.253 flat angles P-C4'-P energy: -70.836 tors. eta vs tors. theta energy: -148.987 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: 8 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1713.560360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.560360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.560360 (E_RNA) where: Base-Base interactions energy: -1191.087 where: short stacking energy: -525.767 Base-Backbone interact. energy: -1.469 local terms energy: -521.004497 where: bonds (distance) C4'-P energy: -75.872 bonds (distance) P-C4' energy: -97.565 flat angles C4'-P-C4' energy: -117.580 flat angles P-C4'-P energy: -74.970 tors. eta vs tors. theta energy: -155.018 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: 7 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1628.913942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.913942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.913942 (E_RNA) where: Base-Base interactions energy: -1163.309 where: short stacking energy: -487.399 Base-Backbone interact. energy: -1.367 local terms energy: -464.238180 where: bonds (distance) C4'-P energy: -84.646 bonds (distance) P-C4' energy: -83.761 flat angles C4'-P-C4' energy: -107.291 flat angles P-C4'-P energy: -62.128 tors. eta vs tors. theta energy: -126.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -1587.380816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.380816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.380816 (E_RNA) where: Base-Base interactions energy: -1092.861 where: short stacking energy: -473.424 Base-Backbone interact. energy: -1.630 local terms energy: -492.889484 where: bonds (distance) C4'-P energy: -90.108 bonds (distance) P-C4' energy: -80.316 flat angles C4'-P-C4' energy: -102.001 flat angles P-C4'-P energy: -83.991 tors. eta vs tors. theta energy: -136.474 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: 6, replica: 4 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -1482.602940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.602940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.602940 (E_RNA) where: Base-Base interactions energy: -1022.409 where: short stacking energy: -457.957 Base-Backbone interact. energy: 6.357 local terms energy: -466.550744 where: bonds (distance) C4'-P energy: -79.582 bonds (distance) P-C4' energy: -92.980 flat angles C4'-P-C4' energy: -99.339 flat angles P-C4'-P energy: -69.654 tors. eta vs tors. theta energy: -124.996 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: 7, replica: 9 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -1276.831693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.831693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.831693 (E_RNA) where: Base-Base interactions energy: -851.239 where: short stacking energy: -377.907 Base-Backbone interact. energy: 0.194 local terms energy: -425.786456 where: bonds (distance) C4'-P energy: -87.261 bonds (distance) P-C4' energy: -86.022 flat angles C4'-P-C4' energy: -90.463 flat angles P-C4'-P energy: -67.491 tors. eta vs tors. theta energy: -94.549 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: 1 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -1126.142138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.142138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.142138 (E_RNA) where: Base-Base interactions energy: -749.222 where: short stacking energy: -345.814 Base-Backbone interact. energy: -0.625 local terms energy: -376.295061 where: bonds (distance) C4'-P energy: -76.774 bonds (distance) P-C4' energy: -85.370 flat angles C4'-P-C4' energy: -93.432 flat angles P-C4'-P energy: -53.316 tors. eta vs tors. theta energy: -67.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -908.126061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.126061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.126061 (E_RNA) where: Base-Base interactions energy: -565.600 where: short stacking energy: -282.163 Base-Backbone interact. energy: -0.562 local terms energy: -341.964530 where: bonds (distance) C4'-P energy: -86.077 bonds (distance) P-C4' energy: -80.857 flat angles C4'-P-C4' energy: -83.316 flat angles P-C4'-P energy: -42.819 tors. eta vs tors. theta energy: -48.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -562.247685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.247685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.247685 (E_RNA) where: Base-Base interactions energy: -259.775 where: short stacking energy: -173.527 Base-Backbone interact. energy: 2.472 local terms energy: -304.945021 where: bonds (distance) C4'-P energy: -78.193 bonds (distance) P-C4' energy: -83.993 flat angles C4'-P-C4' energy: -85.778 flat angles P-C4'-P energy: -45.582 tors. eta vs tors. theta energy: -11.400 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: 6 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1868.159515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.159515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.159515 (E_RNA) where: Base-Base interactions energy: -1323.236 where: short stacking energy: -555.031 Base-Backbone interact. energy: 1.772 local terms energy: -546.696225 where: bonds (distance) C4'-P energy: -92.383 bonds (distance) P-C4' energy: -101.431 flat angles C4'-P-C4' energy: -116.854 flat angles P-C4'-P energy: -78.075 tors. eta vs tors. theta energy: -157.952 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: 2, replica: 3 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1740.894778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.894778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.894778 (E_RNA) where: Base-Base interactions energy: -1219.404 where: short stacking energy: -512.258 Base-Backbone interact. energy: -2.692 local terms energy: -518.798659 where: bonds (distance) C4'-P energy: -86.764 bonds (distance) P-C4' energy: -96.885 flat angles C4'-P-C4' energy: -115.485 flat angles P-C4'-P energy: -76.452 tors. eta vs tors. theta energy: -143.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1696.691128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.691128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.691128 (E_RNA) where: Base-Base interactions energy: -1205.195 where: short stacking energy: -522.187 Base-Backbone interact. energy: -0.753 local terms energy: -490.742734 where: bonds (distance) C4'-P energy: -95.276 bonds (distance) P-C4' energy: -82.507 flat angles C4'-P-C4' energy: -107.248 flat angles P-C4'-P energy: -70.110 tors. eta vs tors. theta energy: -135.602 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: 7 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1606.654307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.654307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.654307 (E_RNA) where: Base-Base interactions energy: -1113.650 where: short stacking energy: -471.993 Base-Backbone interact. energy: -2.089 local terms energy: -490.916072 where: bonds (distance) C4'-P energy: -86.883 bonds (distance) P-C4' energy: -101.429 flat angles C4'-P-C4' energy: -101.883 flat angles P-C4'-P energy: -73.686 tors. eta vs tors. theta energy: -127.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -1567.699816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1567.699816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1567.699816 (E_RNA) where: Base-Base interactions energy: -1099.127 where: short stacking energy: -465.345 Base-Backbone interact. energy: -0.115 local terms energy: -468.458140 where: bonds (distance) C4'-P energy: -83.957 bonds (distance) P-C4' energy: -84.622 flat angles C4'-P-C4' energy: -99.230 flat angles P-C4'-P energy: -72.105 tors. eta vs tors. theta energy: -128.544 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: 279 Temperature: 1.150000 Total energy: -1434.372060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.372060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.372060 (E_RNA) where: Base-Base interactions energy: -988.332 where: short stacking energy: -429.973 Base-Backbone interact. energy: -0.920 local terms energy: -445.119966 where: bonds (distance) C4'-P energy: -85.044 bonds (distance) P-C4' energy: -84.731 flat angles C4'-P-C4' energy: -88.025 flat angles P-C4'-P energy: -63.615 tors. eta vs tors. theta energy: -123.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -1283.880082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.880082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.880082 (E_RNA) where: Base-Base interactions energy: -875.545 where: short stacking energy: -384.543 Base-Backbone interact. energy: -1.869 local terms energy: -406.466792 where: bonds (distance) C4'-P energy: -85.976 bonds (distance) P-C4' energy: -89.881 flat angles C4'-P-C4' energy: -84.120 flat angles P-C4'-P energy: -51.771 tors. eta vs tors. theta energy: -94.719 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: 8, replica: 1 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -1127.413122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.413122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.413122 (E_RNA) where: Base-Base interactions energy: -741.270 where: short stacking energy: -340.279 Base-Backbone interact. energy: -1.527 local terms energy: -384.616314 where: bonds (distance) C4'-P energy: -80.260 bonds (distance) P-C4' energy: -90.066 flat angles C4'-P-C4' energy: -78.390 flat angles P-C4'-P energy: -55.705 tors. eta vs tors. theta energy: -80.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -901.166920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.166920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.166920 (E_RNA) where: Base-Base interactions energy: -574.003 where: short stacking energy: -265.732 Base-Backbone interact. energy: -0.258 local terms energy: -326.905672 where: bonds (distance) C4'-P energy: -76.715 bonds (distance) P-C4' energy: -82.931 flat angles C4'-P-C4' energy: -64.635 flat angles P-C4'-P energy: -41.540 tors. eta vs tors. theta energy: -61.085 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: 2 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -548.368749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.368749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.368749 (E_RNA) where: Base-Base interactions energy: -289.726 where: short stacking energy: -157.497 Base-Backbone interact. energy: -0.366 local terms energy: -258.276550 where: bonds (distance) C4'-P energy: -84.160 bonds (distance) P-C4' energy: -85.654 flat angles C4'-P-C4' energy: -61.852 flat angles P-C4'-P energy: -33.249 tors. eta vs tors. theta energy: 6.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1857.359234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.359234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.359234 (E_RNA) where: Base-Base interactions energy: -1320.210 where: short stacking energy: -552.191 Base-Backbone interact. energy: -0.333 local terms energy: -536.816359 where: bonds (distance) C4'-P energy: -102.488 bonds (distance) P-C4' energy: -91.304 flat angles C4'-P-C4' energy: -108.989 flat angles P-C4'-P energy: -77.410 tors. eta vs tors. theta energy: -156.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1735.629391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.629391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.629391 (E_RNA) where: Base-Base interactions energy: -1214.878 where: short stacking energy: -503.548 Base-Backbone interact. energy: 2.983 local terms energy: -523.734104 where: bonds (distance) C4'-P energy: -95.466 bonds (distance) P-C4' energy: -94.380 flat angles C4'-P-C4' energy: -113.384 flat angles P-C4'-P energy: -80.993 tors. eta vs tors. theta energy: -139.512 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: 8 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1679.233403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.233403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.233403 (E_RNA) where: Base-Base interactions energy: -1165.043 where: short stacking energy: -522.995 Base-Backbone interact. energy: -0.276 local terms energy: -513.914724 where: bonds (distance) C4'-P energy: -100.542 bonds (distance) P-C4' energy: -80.296 flat angles C4'-P-C4' energy: -103.835 flat angles P-C4'-P energy: -77.350 tors. eta vs tors. theta energy: -151.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1613.663292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.663292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.663292 (E_RNA) where: Base-Base interactions energy: -1142.531 where: short stacking energy: -467.833 Base-Backbone interact. energy: -1.407 local terms energy: -469.725002 where: bonds (distance) C4'-P energy: -80.582 bonds (distance) P-C4' energy: -99.927 flat angles C4'-P-C4' energy: -104.315 flat angles P-C4'-P energy: -59.884 tors. eta vs tors. theta energy: -125.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -1609.816380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.816380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.816380 (E_RNA) where: Base-Base interactions energy: -1126.931 where: short stacking energy: -495.773 Base-Backbone interact. energy: -1.310 local terms energy: -481.574864 where: bonds (distance) C4'-P energy: -86.429 bonds (distance) P-C4' energy: -91.943 flat angles C4'-P-C4' energy: -96.342 flat angles P-C4'-P energy: -62.956 tors. eta vs tors. theta energy: -143.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -1429.659972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.659972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.659972 (E_RNA) where: Base-Base interactions energy: -972.311 where: short stacking energy: -434.861 Base-Backbone interact. energy: -2.039 local terms energy: -455.309705 where: bonds (distance) C4'-P energy: -84.490 bonds (distance) P-C4' energy: -85.235 flat angles C4'-P-C4' energy: -102.895 flat angles P-C4'-P energy: -65.440 tors. eta vs tors. theta energy: -117.249 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: 280 Temperature: 1.200000 Total energy: -1294.659809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.659809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.659809 (E_RNA) where: Base-Base interactions energy: -886.421 where: short stacking energy: -383.697 Base-Backbone interact. energy: -0.619 local terms energy: -407.619524 where: bonds (distance) C4'-P energy: -86.631 bonds (distance) P-C4' energy: -79.058 flat angles C4'-P-C4' energy: -102.173 flat angles P-C4'-P energy: -46.930 tors. eta vs tors. theta energy: -92.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -1110.574751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.574751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.574751 (E_RNA) where: Base-Base interactions energy: -724.088 where: short stacking energy: -328.053 Base-Backbone interact. energy: -1.437 local terms energy: -385.049384 where: bonds (distance) C4'-P energy: -80.900 bonds (distance) P-C4' energy: -89.067 flat angles C4'-P-C4' energy: -85.512 flat angles P-C4'-P energy: -55.664 tors. eta vs tors. theta energy: -73.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -850.625944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.625944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.625944 (E_RNA) where: Base-Base interactions energy: -531.582 where: short stacking energy: -235.083 Base-Backbone interact. energy: -0.363 local terms energy: -318.680946 where: bonds (distance) C4'-P energy: -68.296 bonds (distance) P-C4' energy: -81.874 flat angles C4'-P-C4' energy: -87.244 flat angles P-C4'-P energy: -54.133 tors. eta vs tors. theta energy: -27.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -555.356483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.356483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.356483 (E_RNA) where: Base-Base interactions energy: -298.637 where: short stacking energy: -169.261 Base-Backbone interact. energy: -2.787 local terms energy: -253.932527 where: bonds (distance) C4'-P energy: -76.516 bonds (distance) P-C4' energy: -71.096 flat angles C4'-P-C4' energy: -66.535 flat angles P-C4'-P energy: -42.714 tors. eta vs tors. theta energy: 2.929 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: 1, replica: 6 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1863.103105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.103105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.103105 (E_RNA) where: Base-Base interactions energy: -1311.115 where: short stacking energy: -537.941 Base-Backbone interact. energy: -2.408 local terms energy: -549.579618 where: bonds (distance) C4'-P energy: -105.774 bonds (distance) P-C4' energy: -116.585 flat angles C4'-P-C4' energy: -103.720 flat angles P-C4'-P energy: -75.876 tors. eta vs tors. theta energy: -147.624 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: 3 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1747.359286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.359286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.359286 (E_RNA) where: Base-Base interactions energy: -1212.370 where: short stacking energy: -508.425 Base-Backbone interact. energy: -2.491 local terms energy: -532.498761 where: bonds (distance) C4'-P energy: -86.614 bonds (distance) P-C4' energy: -105.050 flat angles C4'-P-C4' energy: -114.014 flat angles P-C4'-P energy: -74.408 tors. eta vs tors. theta energy: -152.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1663.206536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1663.206536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1663.206536 (E_RNA) where: Base-Base interactions energy: -1172.275 where: short stacking energy: -486.632 Base-Backbone interact. energy: -0.991 local terms energy: -489.940649 where: bonds (distance) C4'-P energy: -81.672 bonds (distance) P-C4' energy: -95.739 flat angles C4'-P-C4' energy: -106.699 flat angles P-C4'-P energy: -72.083 tors. eta vs tors. theta energy: -133.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1624.727165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.727165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.727165 (E_RNA) where: Base-Base interactions energy: -1138.441 where: short stacking energy: -486.104 Base-Backbone interact. energy: -1.561 local terms energy: -484.725137 where: bonds (distance) C4'-P energy: -75.693 bonds (distance) P-C4' energy: -103.358 flat angles C4'-P-C4' energy: -109.440 flat angles P-C4'-P energy: -56.539 tors. eta vs tors. theta energy: -139.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -1583.490308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.490308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.490308 (E_RNA) where: Base-Base interactions energy: -1099.651 where: short stacking energy: -463.090 Base-Backbone interact. energy: -1.435 local terms energy: -482.404264 where: bonds (distance) C4'-P energy: -91.226 bonds (distance) P-C4' energy: -84.790 flat angles C4'-P-C4' energy: -102.685 flat angles P-C4'-P energy: -68.042 tors. eta vs tors. theta energy: -135.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -1444.795997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1444.795997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1444.795997 (E_RNA) where: Base-Base interactions energy: -1010.229 where: short stacking energy: -435.965 Base-Backbone interact. energy: -1.553 local terms energy: -433.013893 where: bonds (distance) C4'-P energy: -76.637 bonds (distance) P-C4' energy: -92.698 flat angles C4'-P-C4' energy: -87.969 flat angles P-C4'-P energy: -58.534 tors. eta vs tors. theta energy: -117.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -1274.698616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.698616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.698616 (E_RNA) where: Base-Base interactions energy: -866.539 where: short stacking energy: -365.953 Base-Backbone interact. energy: -0.615 local terms energy: -407.544613 where: bonds (distance) C4'-P energy: -80.284 bonds (distance) P-C4' energy: -101.965 flat angles C4'-P-C4' energy: -81.553 flat angles P-C4'-P energy: -56.791 tors. eta vs tors. theta energy: -86.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -1116.967712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.967712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.967712 (E_RNA) where: Base-Base interactions energy: -736.745 where: short stacking energy: -323.119 Base-Backbone interact. energy: -0.588 local terms energy: -379.635401 where: bonds (distance) C4'-P energy: -93.713 bonds (distance) P-C4' energy: -73.954 flat angles C4'-P-C4' energy: -87.117 flat angles P-C4'-P energy: -55.006 tors. eta vs tors. theta energy: -69.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -849.389454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.389454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.389454 (E_RNA) where: Base-Base interactions energy: -539.049 where: short stacking energy: -261.800 Base-Backbone interact. energy: 0.269 local terms energy: -310.609356 where: bonds (distance) C4'-P energy: -74.235 bonds (distance) P-C4' energy: -83.742 flat angles C4'-P-C4' energy: -62.462 flat angles P-C4'-P energy: -44.975 tors. eta vs tors. theta energy: -45.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -619.507721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.507721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.507721 (E_RNA) where: Base-Base interactions energy: -329.539 where: short stacking energy: -175.975 Base-Backbone interact. energy: -0.431 local terms energy: -289.537138 where: bonds (distance) C4'-P energy: -78.037 bonds (distance) P-C4' energy: -80.747 flat angles C4'-P-C4' energy: -72.540 flat angles P-C4'-P energy: -42.601 tors. eta vs tors. theta energy: -15.613 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: 6 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1874.463913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.463913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.463913 (E_RNA) where: Base-Base interactions energy: -1335.293 where: short stacking energy: -550.593 Base-Backbone interact. energy: -1.582 local terms energy: -537.589714 where: bonds (distance) C4'-P energy: -102.059 bonds (distance) P-C4' energy: -101.382 flat angles C4'-P-C4' energy: -108.150 flat angles P-C4'-P energy: -75.174 tors. eta vs tors. theta energy: -150.826 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: 282 Temperature: 0.950000 Total energy: -1756.919246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.919246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.919246 (E_RNA) where: Base-Base interactions energy: -1221.784 where: short stacking energy: -521.123 Base-Backbone interact. energy: 0.529 local terms energy: -535.664177 where: bonds (distance) C4'-P energy: -103.246 bonds (distance) P-C4' energy: -92.446 flat angles C4'-P-C4' energy: -107.298 flat angles P-C4'-P energy: -72.717 tors. eta vs tors. theta energy: -159.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1682.110726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1682.110726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1682.110726 (E_RNA) where: Base-Base interactions energy: -1171.577 where: short stacking energy: -491.597 Base-Backbone interact. energy: -5.457 local terms energy: -505.077471 where: bonds (distance) C4'-P energy: -92.108 bonds (distance) P-C4' energy: -102.596 flat angles C4'-P-C4' energy: -106.445 flat angles P-C4'-P energy: -70.140 tors. eta vs tors. theta energy: -133.787 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: 8 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1639.529573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.529573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.529573 (E_RNA) where: Base-Base interactions energy: -1147.271 where: short stacking energy: -495.977 Base-Backbone interact. energy: -2.518 local terms energy: -489.740450 where: bonds (distance) C4'-P energy: -78.233 bonds (distance) P-C4' energy: -102.263 flat angles C4'-P-C4' energy: -90.381 flat angles P-C4'-P energy: -78.892 tors. eta vs tors. theta energy: -139.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -1544.297332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1544.297332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1544.297332 (E_RNA) where: Base-Base interactions energy: -1084.619 where: short stacking energy: -445.820 Base-Backbone interact. energy: -0.881 local terms energy: -458.797360 where: bonds (distance) C4'-P energy: -74.798 bonds (distance) P-C4' energy: -95.367 flat angles C4'-P-C4' energy: -97.985 flat angles P-C4'-P energy: -69.610 tors. eta vs tors. theta energy: -121.038 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: 6, replica: 4 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -1415.547688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.547688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.547688 (E_RNA) where: Base-Base interactions energy: -972.419 where: short stacking energy: -414.445 Base-Backbone interact. energy: 1.656 local terms energy: -444.784232 where: bonds (distance) C4'-P energy: -93.623 bonds (distance) P-C4' energy: -81.463 flat angles C4'-P-C4' energy: -101.762 flat angles P-C4'-P energy: -57.974 tors. eta vs tors. theta energy: -109.962 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: 9 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -1291.586006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.586006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.586006 (E_RNA) where: Base-Base interactions energy: -892.440 where: short stacking energy: -390.425 Base-Backbone interact. energy: -2.556 local terms energy: -396.589256 where: bonds (distance) C4'-P energy: -66.670 bonds (distance) P-C4' energy: -93.452 flat angles C4'-P-C4' energy: -83.890 flat angles P-C4'-P energy: -63.410 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: 8, replica: 1 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -1110.923534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.923534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.923534 (E_RNA) where: Base-Base interactions energy: -741.637 where: short stacking energy: -349.483 Base-Backbone interact. energy: 0.250 local terms energy: -369.537119 where: bonds (distance) C4'-P energy: -76.653 bonds (distance) P-C4' energy: -67.762 flat angles C4'-P-C4' energy: -94.331 flat angles P-C4'-P energy: -58.316 tors. eta vs tors. theta energy: -72.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -831.691687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.691687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.691687 (E_RNA) where: Base-Base interactions energy: -478.968 where: short stacking energy: -238.317 Base-Backbone interact. energy: -2.774 local terms energy: -349.949242 where: bonds (distance) C4'-P energy: -81.124 bonds (distance) P-C4' energy: -81.520 flat angles C4'-P-C4' energy: -76.434 flat angles P-C4'-P energy: -60.638 tors. eta vs tors. theta energy: -50.232 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: 10, replica: 2 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -621.578190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.578190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.578190 (E_RNA) where: Base-Base interactions energy: -339.568 where: short stacking energy: -181.979 Base-Backbone interact. energy: -2.482 local terms energy: -279.528269 where: bonds (distance) C4'-P energy: -78.828 bonds (distance) P-C4' energy: -89.100 flat angles C4'-P-C4' energy: -65.358 flat angles P-C4'-P energy: -50.147 tors. eta vs tors. theta energy: 3.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1881.313763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.313763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.313763 (E_RNA) where: Base-Base interactions energy: -1345.722 where: short stacking energy: -547.744 Base-Backbone interact. energy: -0.895 local terms energy: -534.697215 where: bonds (distance) C4'-P energy: -96.013 bonds (distance) P-C4' energy: -100.153 flat angles C4'-P-C4' energy: -117.791 flat angles P-C4'-P energy: -67.237 tors. eta vs tors. theta energy: -153.503 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: 2, replica: 3 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1755.483913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.483913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.483913 (E_RNA) where: Base-Base interactions energy: -1221.724 where: short stacking energy: -538.729 Base-Backbone interact. energy: -2.710 local terms energy: -531.050648 where: bonds (distance) C4'-P energy: -93.272 bonds (distance) P-C4' energy: -101.972 flat angles C4'-P-C4' energy: -109.594 flat angles P-C4'-P energy: -69.156 tors. eta vs tors. theta energy: -157.058 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: 283 Temperature: 1.000000 Total energy: -1695.602546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1695.602546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1695.602546 (E_RNA) where: Base-Base interactions energy: -1184.847 where: short stacking energy: -504.365 Base-Backbone interact. energy: 1.693 local terms energy: -512.448560 where: bonds (distance) C4'-P energy: -82.690 bonds (distance) P-C4' energy: -99.304 flat angles C4'-P-C4' energy: -109.673 flat angles P-C4'-P energy: -74.876 tors. eta vs tors. theta energy: -145.906 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: 8 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1614.333575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.333575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.333575 (E_RNA) where: Base-Base interactions energy: -1132.504 where: short stacking energy: -472.207 Base-Backbone interact. energy: -1.314 local terms energy: -480.515155 where: bonds (distance) C4'-P energy: -82.672 bonds (distance) P-C4' energy: -89.732 flat angles C4'-P-C4' energy: -96.771 flat angles P-C4'-P energy: -77.155 tors. eta vs tors. theta energy: -134.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -1533.797946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.797946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.797946 (E_RNA) where: Base-Base interactions energy: -1084.936 where: short stacking energy: -439.601 Base-Backbone interact. energy: -1.343 local terms energy: -447.519330 where: bonds (distance) C4'-P energy: -85.204 bonds (distance) P-C4' energy: -85.445 flat angles C4'-P-C4' energy: -97.665 flat angles P-C4'-P energy: -60.506 tors. eta vs tors. theta energy: -118.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -1393.974304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.974304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.974304 (E_RNA) where: Base-Base interactions energy: -943.099 where: short stacking energy: -418.817 Base-Backbone interact. energy: -1.172 local terms energy: -449.703348 where: bonds (distance) C4'-P energy: -84.819 bonds (distance) P-C4' energy: -91.765 flat angles C4'-P-C4' energy: -104.190 flat angles P-C4'-P energy: -53.844 tors. eta vs tors. theta energy: -115.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -1297.289687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.289687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.289687 (E_RNA) where: Base-Base interactions energy: -897.387 where: short stacking energy: -395.574 Base-Backbone interact. energy: -2.203 local terms energy: -397.700032 where: bonds (distance) C4'-P energy: -76.249 bonds (distance) P-C4' energy: -72.295 flat angles C4'-P-C4' energy: -86.988 flat angles P-C4'-P energy: -61.048 tors. eta vs tors. theta energy: -101.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -1076.314928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.314928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.314928 (E_RNA) where: Base-Base interactions energy: -714.502 where: short stacking energy: -351.055 Base-Backbone interact. energy: 2.415 local terms energy: -364.228060 where: bonds (distance) C4'-P energy: -68.932 bonds (distance) P-C4' energy: -70.162 flat angles C4'-P-C4' energy: -100.244 flat angles P-C4'-P energy: -46.369 tors. eta vs tors. theta energy: -78.521 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: 9, replica: 10 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -833.308307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.308307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.308307 (E_RNA) where: Base-Base interactions energy: -502.354 where: short stacking energy: -231.721 Base-Backbone interact. energy: -0.095 local terms energy: -330.859672 where: bonds (distance) C4'-P energy: -101.114 bonds (distance) P-C4' energy: -64.824 flat angles C4'-P-C4' energy: -76.004 flat angles P-C4'-P energy: -46.140 tors. eta vs tors. theta energy: -42.777 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: 10, replica: 2 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -580.263994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.263994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.263994 (E_RNA) where: Base-Base interactions energy: -293.183 where: short stacking energy: -173.487 Base-Backbone interact. energy: -0.672 local terms energy: -286.409749 where: bonds (distance) C4'-P energy: -74.484 bonds (distance) P-C4' energy: -86.818 flat angles C4'-P-C4' energy: -62.068 flat angles P-C4'-P energy: -46.504 tors. eta vs tors. theta energy: -16.536 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: 6 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1872.741959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.741959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.741959 (E_RNA) where: Base-Base interactions energy: -1311.501 where: short stacking energy: -529.224 Base-Backbone interact. energy: -2.030 local terms energy: -559.210373 where: bonds (distance) C4'-P energy: -107.942 bonds (distance) P-C4' energy: -107.445 flat angles C4'-P-C4' energy: -108.936 flat angles P-C4'-P energy: -82.295 tors. eta vs tors. theta energy: -152.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1764.339361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.339361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.339361 (E_RNA) where: Base-Base interactions energy: -1263.710 where: short stacking energy: -529.512 Base-Backbone interact. energy: -1.592 local terms energy: -499.037813 where: bonds (distance) C4'-P energy: -74.290 bonds (distance) P-C4' energy: -103.143 flat angles C4'-P-C4' energy: -101.157 flat angles P-C4'-P energy: -73.625 tors. eta vs tors. theta energy: -146.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1681.037367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1681.037367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1681.037367 (E_RNA) where: Base-Base interactions energy: -1174.984 where: short stacking energy: -488.132 Base-Backbone interact. energy: -4.107 local terms energy: -501.946810 where: bonds (distance) C4'-P energy: -96.115 bonds (distance) P-C4' energy: -90.954 flat angles C4'-P-C4' energy: -105.747 flat angles P-C4'-P energy: -58.489 tors. eta vs tors. theta energy: -150.641 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: 4, replica: 8 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1630.398516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.398516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.398516 (E_RNA) where: Base-Base interactions energy: -1140.598 where: short stacking energy: -485.650 Base-Backbone interact. energy: -3.718 local terms energy: -486.082458 where: bonds (distance) C4'-P energy: -93.789 bonds (distance) P-C4' energy: -91.082 flat angles C4'-P-C4' energy: -106.279 flat angles P-C4'-P energy: -61.554 tors. eta vs tors. theta energy: -133.379 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: 7 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -1554.845313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.845313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.845313 (E_RNA) where: Base-Base interactions energy: -1072.952 where: short stacking energy: -454.763 Base-Backbone interact. energy: -1.434 local terms energy: -480.458890 where: bonds (distance) C4'-P energy: -92.542 bonds (distance) P-C4' energy: -99.436 flat angles C4'-P-C4' energy: -99.221 flat angles P-C4'-P energy: -69.172 tors. eta vs tors. theta energy: -120.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -1390.146966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.146966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.146966 (E_RNA) where: Base-Base interactions energy: -943.299 where: short stacking energy: -421.675 Base-Backbone interact. energy: -2.258 local terms energy: -444.589235 where: bonds (distance) C4'-P energy: -99.843 bonds (distance) P-C4' energy: -80.617 flat angles C4'-P-C4' energy: -99.446 flat angles P-C4'-P energy: -56.385 tors. eta vs tors. theta energy: -108.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -1310.369915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.369915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.369915 (E_RNA) where: Base-Base interactions energy: -877.952 where: short stacking energy: -374.382 Base-Backbone interact. energy: -2.780 local terms energy: -429.637825 where: bonds (distance) C4'-P energy: -81.934 bonds (distance) P-C4' energy: -91.982 flat angles C4'-P-C4' energy: -96.991 flat angles P-C4'-P energy: -60.509 tors. eta vs tors. theta energy: -98.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -1044.755488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.755488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.755488 (E_RNA) where: Base-Base interactions energy: -658.871 where: short stacking energy: -313.187 Base-Backbone interact. energy: -1.793 local terms energy: -384.091284 where: bonds (distance) C4'-P energy: -84.363 bonds (distance) P-C4' energy: -93.412 flat angles C4'-P-C4' energy: -87.778 flat angles P-C4'-P energy: -57.456 tors. eta vs tors. theta energy: -61.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -825.337756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.337756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.337756 (E_RNA) where: Base-Base interactions energy: -517.365 where: short stacking energy: -254.838 Base-Backbone interact. energy: 1.653 local terms energy: -309.626144 where: bonds (distance) C4'-P energy: -72.854 bonds (distance) P-C4' energy: -88.757 flat angles C4'-P-C4' energy: -70.998 flat angles P-C4'-P energy: -36.689 tors. eta vs tors. theta energy: -40.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -545.653561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.653561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.653561 (E_RNA) where: Base-Base interactions energy: -281.603 where: short stacking energy: -154.662 Base-Backbone interact. energy: 0.952 local terms energy: -265.003141 where: bonds (distance) C4'-P energy: -84.933 bonds (distance) P-C4' energy: -71.391 flat angles C4'-P-C4' energy: -64.445 flat angles P-C4'-P energy: -36.147 tors. eta vs tors. theta energy: -8.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1859.040502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.040502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.040502 (E_RNA) where: Base-Base interactions energy: -1306.981 where: short stacking energy: -546.559 Base-Backbone interact. energy: -1.478 local terms energy: -550.581345 where: bonds (distance) C4'-P energy: -98.558 bonds (distance) P-C4' energy: -106.573 flat angles C4'-P-C4' energy: -116.182 flat angles P-C4'-P energy: -76.223 tors. eta vs tors. theta energy: -153.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1775.934950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.934950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.934950 (E_RNA) where: Base-Base interactions energy: -1247.141 where: short stacking energy: -517.051 Base-Backbone interact. energy: 0.061 local terms energy: -528.854520 where: bonds (distance) C4'-P energy: -93.230 bonds (distance) P-C4' energy: -101.991 flat angles C4'-P-C4' energy: -112.136 flat angles P-C4'-P energy: -69.016 tors. eta vs tors. theta energy: -152.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1687.985209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.985209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.985209 (E_RNA) where: Base-Base interactions energy: -1172.865 where: short stacking energy: -492.255 Base-Backbone interact. energy: -3.082 local terms energy: -512.038217 where: bonds (distance) C4'-P energy: -94.285 bonds (distance) P-C4' energy: -92.072 flat angles C4'-P-C4' energy: -108.453 flat angles P-C4'-P energy: -69.688 tors. eta vs tors. theta energy: -147.539 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: 8 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1636.701159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.701159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.701159 (E_RNA) where: Base-Base interactions energy: -1130.372 where: short stacking energy: -497.712 Base-Backbone interact. energy: -2.684 local terms energy: -503.644406 where: bonds (distance) C4'-P energy: -92.223 bonds (distance) P-C4' energy: -84.964 flat angles C4'-P-C4' energy: -105.407 flat angles P-C4'-P energy: -71.222 tors. eta vs tors. theta energy: -149.828 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: 285 Temperature: 1.100000 Total energy: -1592.806372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.806372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.806372 (E_RNA) where: Base-Base interactions energy: -1131.145 where: short stacking energy: -483.610 Base-Backbone interact. energy: -1.685 local terms energy: -459.976180 where: bonds (distance) C4'-P energy: -71.734 bonds (distance) P-C4' energy: -89.884 flat angles C4'-P-C4' energy: -95.032 flat angles P-C4'-P energy: -66.040 tors. eta vs tors. theta energy: -137.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -1375.408973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.408973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.408973 (E_RNA) where: Base-Base interactions energy: -948.941 where: short stacking energy: -399.167 Base-Backbone interact. energy: 0.234 local terms energy: -426.702529 where: bonds (distance) C4'-P energy: -76.880 bonds (distance) P-C4' energy: -83.155 flat angles C4'-P-C4' energy: -100.011 flat angles P-C4'-P energy: -59.836 tors. eta vs tors. theta energy: -106.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -1339.277080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.277080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.277080 (E_RNA) where: Base-Base interactions energy: -896.496 where: short stacking energy: -400.760 Base-Backbone interact. energy: -1.082 local terms energy: -441.699122 where: bonds (distance) C4'-P energy: -68.576 bonds (distance) P-C4' energy: -91.340 flat angles C4'-P-C4' energy: -105.772 flat angles P-C4'-P energy: -72.608 tors. eta vs tors. theta energy: -103.404 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: 1 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -1050.499118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.499118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.499118 (E_RNA) where: Base-Base interactions energy: -670.998 where: short stacking energy: -298.070 Base-Backbone interact. energy: 1.054 local terms energy: -380.555614 where: bonds (distance) C4'-P energy: -102.021 bonds (distance) P-C4' energy: -93.559 flat angles C4'-P-C4' energy: -74.597 flat angles P-C4'-P energy: -58.979 tors. eta vs tors. theta energy: -51.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -861.394273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.394273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.394273 (E_RNA) where: Base-Base interactions energy: -536.415 where: short stacking energy: -242.867 Base-Backbone interact. energy: -2.574 local terms energy: -322.405907 where: bonds (distance) C4'-P energy: -74.114 bonds (distance) P-C4' energy: -77.514 flat angles C4'-P-C4' energy: -74.437 flat angles P-C4'-P energy: -52.952 tors. eta vs tors. theta energy: -43.389 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: 2 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -509.117185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.117185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.117185 (E_RNA) where: Base-Base interactions energy: -255.195 where: short stacking energy: -135.245 Base-Backbone interact. energy: -1.618 local terms energy: -252.304664 where: bonds (distance) C4'-P energy: -69.509 bonds (distance) P-C4' energy: -82.982 flat angles C4'-P-C4' energy: -54.760 flat angles P-C4'-P energy: -46.692 tors. eta vs tors. theta energy: 1.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1870.302806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.302806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.302806 (E_RNA) where: Base-Base interactions energy: -1322.657 where: short stacking energy: -559.564 Base-Backbone interact. energy: -1.607 local terms energy: -546.038906 where: bonds (distance) C4'-P energy: -104.604 bonds (distance) P-C4' energy: -93.468 flat angles C4'-P-C4' energy: -111.201 flat angles P-C4'-P energy: -82.125 tors. eta vs tors. theta energy: -154.641 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: 3 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1745.249026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.249026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.249026 (E_RNA) where: Base-Base interactions energy: -1227.169 where: short stacking energy: -533.107 Base-Backbone interact. energy: -4.073 local terms energy: -514.006754 where: bonds (distance) C4'-P energy: -76.740 bonds (distance) P-C4' energy: -96.446 flat angles C4'-P-C4' energy: -113.012 flat angles P-C4'-P energy: -79.669 tors. eta vs tors. theta energy: -148.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1670.098796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.098796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.098796 (E_RNA) where: Base-Base interactions energy: -1183.483 where: short stacking energy: -498.941 Base-Backbone interact. energy: -3.096 local terms energy: -483.519488 where: bonds (distance) C4'-P energy: -81.333 bonds (distance) P-C4' energy: -87.627 flat angles C4'-P-C4' energy: -111.839 flat angles P-C4'-P energy: -64.312 tors. eta vs tors. theta energy: -138.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1637.109125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.109125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.109125 (E_RNA) where: Base-Base interactions energy: -1135.797 where: short stacking energy: -473.186 Base-Backbone interact. energy: -1.559 local terms energy: -499.753136 where: bonds (distance) C4'-P energy: -97.498 bonds (distance) P-C4' energy: -89.625 flat angles C4'-P-C4' energy: -100.180 flat angles P-C4'-P energy: -73.182 tors. eta vs tors. theta energy: -139.268 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: 5, replica: 7 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -1535.704309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.704309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.704309 (E_RNA) where: Base-Base interactions energy: -1068.495 where: short stacking energy: -459.893 Base-Backbone interact. energy: -0.819 local terms energy: -466.390298 where: bonds (distance) C4'-P energy: -92.799 bonds (distance) P-C4' energy: -82.654 flat angles C4'-P-C4' energy: -97.680 flat angles P-C4'-P energy: -75.614 tors. eta vs tors. theta energy: -117.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -1384.703370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.703370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.703370 (E_RNA) where: Base-Base interactions energy: -929.962 where: short stacking energy: -393.730 Base-Backbone interact. energy: -0.169 local terms energy: -454.572529 where: bonds (distance) C4'-P energy: -78.632 bonds (distance) P-C4' energy: -93.259 flat angles C4'-P-C4' energy: -108.207 flat angles P-C4'-P energy: -72.864 tors. eta vs tors. theta energy: -101.611 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: 4 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -1337.059765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.059765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.059765 (E_RNA) where: Base-Base interactions energy: -933.485 where: short stacking energy: -417.202 Base-Backbone interact. energy: -0.743 local terms energy: -402.832057 where: bonds (distance) C4'-P energy: -72.143 bonds (distance) P-C4' energy: -68.130 flat angles C4'-P-C4' energy: -91.100 flat angles P-C4'-P energy: -59.846 tors. eta vs tors. theta energy: -111.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -1030.489371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.489371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.489371 (E_RNA) where: Base-Base interactions energy: -661.595 where: short stacking energy: -300.460 Base-Backbone interact. energy: 1.243 local terms energy: -370.137254 where: bonds (distance) C4'-P energy: -81.337 bonds (distance) P-C4' energy: -91.165 flat angles C4'-P-C4' energy: -96.359 flat angles P-C4'-P energy: -39.105 tors. eta vs tors. theta energy: -62.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -786.538799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.538799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.538799 (E_RNA) where: Base-Base interactions energy: -484.430 where: short stacking energy: -217.863 Base-Backbone interact. energy: 1.361 local terms energy: -303.469872 where: bonds (distance) C4'-P energy: -83.009 bonds (distance) P-C4' energy: -86.326 flat angles C4'-P-C4' energy: -69.306 flat angles P-C4'-P energy: -47.163 tors. eta vs tors. theta energy: -17.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -482.288806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.288806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.288806 (E_RNA) where: Base-Base interactions energy: -246.434 where: short stacking energy: -166.779 Base-Backbone interact. energy: 0.380 local terms energy: -236.234361 where: bonds (distance) C4'-P energy: -84.890 bonds (distance) P-C4' energy: -75.528 flat angles C4'-P-C4' energy: -53.364 flat angles P-C4'-P energy: -28.861 tors. eta vs tors. theta energy: 6.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1877.144618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.144618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.144618 (E_RNA) where: Base-Base interactions energy: -1306.034 where: short stacking energy: -555.967 Base-Backbone interact. energy: -3.513 local terms energy: -567.598081 where: bonds (distance) C4'-P energy: -100.823 bonds (distance) P-C4' energy: -103.010 flat angles C4'-P-C4' energy: -119.287 flat angles P-C4'-P energy: -80.282 tors. eta vs tors. theta energy: -164.195 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: 3 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1757.548640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.548640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.548640 (E_RNA) where: Base-Base interactions energy: -1216.237 where: short stacking energy: -515.995 Base-Backbone interact. energy: -2.553 local terms energy: -538.759224 where: bonds (distance) C4'-P energy: -99.745 bonds (distance) P-C4' energy: -100.384 flat angles C4'-P-C4' energy: -117.802 flat angles P-C4'-P energy: -76.229 tors. eta vs tors. theta energy: -144.598 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: 5 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1679.657642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.657642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.657642 (E_RNA) where: Base-Base interactions energy: -1177.580 where: short stacking energy: -507.895 Base-Backbone interact. energy: -3.643 local terms energy: -498.434879 where: bonds (distance) C4'-P energy: -83.629 bonds (distance) P-C4' energy: -94.576 flat angles C4'-P-C4' energy: -105.096 flat angles P-C4'-P energy: -72.576 tors. eta vs tors. theta energy: -142.558 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: 8 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1636.209221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.209221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.209221 (E_RNA) where: Base-Base interactions energy: -1159.463 where: short stacking energy: -475.247 Base-Backbone interact. energy: -0.343 local terms energy: -476.402978 where: bonds (distance) C4'-P energy: -82.514 bonds (distance) P-C4' energy: -85.660 flat angles C4'-P-C4' energy: -100.771 flat angles P-C4'-P energy: -67.736 tors. eta vs tors. theta energy: -139.722 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: 7 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -1527.095843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.095843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.095843 (E_RNA) where: Base-Base interactions energy: -1071.295 where: short stacking energy: -438.188 Base-Backbone interact. energy: -2.664 local terms energy: -453.136824 where: bonds (distance) C4'-P energy: -82.269 bonds (distance) P-C4' energy: -83.792 flat angles C4'-P-C4' energy: -106.830 flat angles P-C4'-P energy: -54.982 tors. eta vs tors. theta energy: -125.263 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: 287 Temperature: 1.150000 Total energy: -1378.582419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1378.582419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1378.582419 (E_RNA) where: Base-Base interactions energy: -961.473 where: short stacking energy: -418.730 Base-Backbone interact. energy: 0.379 local terms energy: -417.489288 where: bonds (distance) C4'-P energy: -69.500 bonds (distance) P-C4' energy: -85.435 flat angles C4'-P-C4' energy: -92.265 flat angles P-C4'-P energy: -66.688 tors. eta vs tors. theta energy: -103.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -1277.546576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.546576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.546576 (E_RNA) where: Base-Base interactions energy: -856.810 where: short stacking energy: -375.492 Base-Backbone interact. energy: -2.829 local terms energy: -417.907428 where: bonds (distance) C4'-P energy: -95.374 bonds (distance) P-C4' energy: -81.851 flat angles C4'-P-C4' energy: -89.391 flat angles P-C4'-P energy: -53.174 tors. eta vs tors. theta energy: -98.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -1099.810367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.810367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.810367 (E_RNA) where: Base-Base interactions energy: -740.679 where: short stacking energy: -351.605 Base-Backbone interact. energy: 2.465 local terms energy: -361.597133 where: bonds (distance) C4'-P energy: -93.380 bonds (distance) P-C4' energy: -83.655 flat angles C4'-P-C4' energy: -64.028 flat angles P-C4'-P energy: -42.488 tors. eta vs tors. theta energy: -78.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -817.021748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.021748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.021748 (E_RNA) where: Base-Base interactions energy: -533.282 where: short stacking energy: -260.493 Base-Backbone interact. energy: -0.227 local terms energy: -283.512848 where: bonds (distance) C4'-P energy: -68.826 bonds (distance) P-C4' energy: -77.892 flat angles C4'-P-C4' energy: -61.343 flat angles P-C4'-P energy: -35.849 tors. eta vs tors. theta energy: -39.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -484.420130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.420130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.420130 (E_RNA) where: Base-Base interactions energy: -207.843 where: short stacking energy: -142.906 Base-Backbone interact. energy: 5.496 local terms energy: -282.073102 where: bonds (distance) C4'-P energy: -56.668 bonds (distance) P-C4' energy: -96.982 flat angles C4'-P-C4' energy: -73.100 flat angles P-C4'-P energy: -50.683 tors. eta vs tors. theta energy: -4.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1877.961001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.961001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.961001 (E_RNA) where: Base-Base interactions energy: -1339.255 where: short stacking energy: -551.773 Base-Backbone interact. energy: 1.739 local terms energy: -540.445402 where: bonds (distance) C4'-P energy: -94.572 bonds (distance) P-C4' energy: -98.187 flat angles C4'-P-C4' energy: -116.391 flat angles P-C4'-P energy: -69.605 tors. eta vs tors. theta energy: -161.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1740.277593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.277593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.277593 (E_RNA) where: Base-Base interactions energy: -1207.298 where: short stacking energy: -532.391 Base-Backbone interact. energy: -1.692 local terms energy: -531.287420 where: bonds (distance) C4'-P energy: -93.452 bonds (distance) P-C4' energy: -103.488 flat angles C4'-P-C4' energy: -107.410 flat angles P-C4'-P energy: -75.237 tors. eta vs tors. theta energy: -151.701 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: 288 Temperature: 1.000000 Total energy: -1686.905874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.905874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.905874 (E_RNA) where: Base-Base interactions energy: -1153.483 where: short stacking energy: -507.536 Base-Backbone interact. energy: -1.924 local terms energy: -531.498932 where: bonds (distance) C4'-P energy: -96.103 bonds (distance) P-C4' energy: -106.953 flat angles C4'-P-C4' energy: -117.240 flat angles P-C4'-P energy: -64.785 tors. eta vs tors. theta energy: -146.418 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: 4, replica: 8 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1619.867966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.867966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.867966 (E_RNA) where: Base-Base interactions energy: -1150.222 where: short stacking energy: -476.644 Base-Backbone interact. energy: -2.386 local terms energy: -467.260480 where: bonds (distance) C4'-P energy: -74.929 bonds (distance) P-C4' energy: -92.024 flat angles C4'-P-C4' energy: -102.341 flat angles P-C4'-P energy: -58.498 tors. eta vs tors. theta energy: -139.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -1550.394745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.394745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.394745 (E_RNA) where: Base-Base interactions energy: -1096.362 where: short stacking energy: -440.537 Base-Backbone interact. energy: 2.153 local terms energy: -456.185319 where: bonds (distance) C4'-P energy: -83.010 bonds (distance) P-C4' energy: -92.188 flat angles C4'-P-C4' energy: -103.607 flat angles P-C4'-P energy: -61.894 tors. eta vs tors. theta energy: -115.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -1392.588372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.588372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.588372 (E_RNA) where: Base-Base interactions energy: -947.420 where: short stacking energy: -408.109 Base-Backbone interact. energy: 0.116 local terms energy: -445.284644 where: bonds (distance) C4'-P energy: -88.324 bonds (distance) P-C4' energy: -102.217 flat angles C4'-P-C4' energy: -92.123 flat angles P-C4'-P energy: -68.153 tors. eta vs tors. theta energy: -94.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -1337.425349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.425349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.425349 (E_RNA) where: Base-Base interactions energy: -918.375 where: short stacking energy: -401.277 Base-Backbone interact. energy: -1.856 local terms energy: -417.194508 where: bonds (distance) C4'-P energy: -71.182 bonds (distance) P-C4' energy: -93.350 flat angles C4'-P-C4' energy: -100.622 flat angles P-C4'-P energy: -57.138 tors. eta vs tors. theta energy: -94.902 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: 1 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -1024.289144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.289144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.289144 (E_RNA) where: Base-Base interactions energy: -682.619 where: short stacking energy: -314.284 Base-Backbone interact. energy: -0.093 local terms energy: -341.577649 where: bonds (distance) C4'-P energy: -76.971 bonds (distance) P-C4' energy: -80.747 flat angles C4'-P-C4' energy: -81.937 flat angles P-C4'-P energy: -42.822 tors. eta vs tors. theta energy: -59.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -825.005004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.005004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.005004 (E_RNA) where: Base-Base interactions energy: -513.434 where: short stacking energy: -256.018 Base-Backbone interact. energy: -2.255 local terms energy: -309.316622 where: bonds (distance) C4'-P energy: -90.945 bonds (distance) P-C4' energy: -81.992 flat angles C4'-P-C4' energy: -71.407 flat angles P-C4'-P energy: -40.644 tors. eta vs tors. theta energy: -24.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -488.707821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.707821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.707821 (E_RNA) where: Base-Base interactions energy: -208.194 where: short stacking energy: -145.925 Base-Backbone interact. energy: -2.398 local terms energy: -278.115762 where: bonds (distance) C4'-P energy: -73.000 bonds (distance) P-C4' energy: -92.155 flat angles C4'-P-C4' energy: -65.873 flat angles P-C4'-P energy: -50.640 tors. eta vs tors. theta energy: 3.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1864.414899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.414899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.414899 (E_RNA) where: Base-Base interactions energy: -1316.303 where: short stacking energy: -547.029 Base-Backbone interact. energy: -2.337 local terms energy: -545.775541 where: bonds (distance) C4'-P energy: -101.735 bonds (distance) P-C4' energy: -100.461 flat angles C4'-P-C4' energy: -117.168 flat angles P-C4'-P energy: -73.350 tors. eta vs tors. theta energy: -153.063 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: 289 Temperature: 0.950000 Total energy: -1752.862530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.862530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.862530 (E_RNA) where: Base-Base interactions energy: -1220.595 where: short stacking energy: -517.335 Base-Backbone interact. energy: -0.294 local terms energy: -531.972997 where: bonds (distance) C4'-P energy: -99.912 bonds (distance) P-C4' energy: -103.034 flat angles C4'-P-C4' energy: -109.372 flat angles P-C4'-P energy: -75.720 tors. eta vs tors. theta energy: -143.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1692.949979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.949979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.949979 (E_RNA) where: Base-Base interactions energy: -1190.682 where: short stacking energy: -502.701 Base-Backbone interact. energy: -3.259 local terms energy: -499.008566 where: bonds (distance) C4'-P energy: -86.785 bonds (distance) P-C4' energy: -93.745 flat angles C4'-P-C4' energy: -118.052 flat angles P-C4'-P energy: -65.477 tors. eta vs tors. theta energy: -134.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1602.082990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.082990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.082990 (E_RNA) where: Base-Base interactions energy: -1119.537 where: short stacking energy: -471.627 Base-Backbone interact. energy: -5.708 local terms energy: -476.837795 where: bonds (distance) C4'-P energy: -74.236 bonds (distance) P-C4' energy: -95.459 flat angles C4'-P-C4' energy: -99.644 flat angles P-C4'-P energy: -74.819 tors. eta vs tors. theta energy: -132.680 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: 8 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -1609.691487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.691487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.691487 (E_RNA) where: Base-Base interactions energy: -1111.665 where: short stacking energy: -467.599 Base-Backbone interact. energy: -1.351 local terms energy: -496.675329 where: bonds (distance) C4'-P energy: -89.768 bonds (distance) P-C4' energy: -91.083 flat angles C4'-P-C4' energy: -101.662 flat angles P-C4'-P energy: -73.637 tors. eta vs tors. theta energy: -140.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -1361.408021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.408021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.408021 (E_RNA) where: Base-Base interactions energy: -916.739 where: short stacking energy: -410.317 Base-Backbone interact. energy: 0.403 local terms energy: -445.072083 where: bonds (distance) C4'-P energy: -90.189 bonds (distance) P-C4' energy: -95.674 flat angles C4'-P-C4' energy: -92.373 flat angles P-C4'-P energy: -57.678 tors. eta vs tors. theta energy: -109.158 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: 7, replica: 4 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -1348.620623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.620623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.620623 (E_RNA) where: Base-Base interactions energy: -953.321 where: short stacking energy: -409.062 Base-Backbone interact. energy: 1.491 local terms energy: -396.790738 where: bonds (distance) C4'-P energy: -64.197 bonds (distance) P-C4' energy: -86.673 flat angles C4'-P-C4' energy: -87.639 flat angles P-C4'-P energy: -53.350 tors. eta vs tors. theta energy: -104.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -1084.075507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.075507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.075507 (E_RNA) where: Base-Base interactions energy: -731.524 where: short stacking energy: -338.794 Base-Backbone interact. energy: 0.239 local terms energy: -352.790461 where: bonds (distance) C4'-P energy: -71.342 bonds (distance) P-C4' energy: -81.959 flat angles C4'-P-C4' energy: -75.756 flat angles P-C4'-P energy: -51.128 tors. eta vs tors. theta energy: -72.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -831.218474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.218474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.218474 (E_RNA) where: Base-Base interactions energy: -493.716 where: short stacking energy: -251.601 Base-Backbone interact. energy: 3.518 local terms energy: -341.020316 where: bonds (distance) C4'-P energy: -84.725 bonds (distance) P-C4' energy: -84.272 flat angles C4'-P-C4' energy: -83.191 flat angles P-C4'-P energy: -57.851 tors. eta vs tors. theta energy: -30.982 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: 10, replica: 2 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -531.606203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.606203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.606203 (E_RNA) where: Base-Base interactions energy: -301.263 where: short stacking energy: -159.009 Base-Backbone interact. energy: 5.114 local terms energy: -235.457316 where: bonds (distance) C4'-P energy: -71.119 bonds (distance) P-C4' energy: -84.768 flat angles C4'-P-C4' energy: -52.409 flat angles P-C4'-P energy: -36.719 tors. eta vs tors. theta energy: 9.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -1881.525379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.525379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.525379 (E_RNA) where: Base-Base interactions energy: -1324.096 where: short stacking energy: -546.830 Base-Backbone interact. energy: -1.991 local terms energy: -555.438391 where: bonds (distance) C4'-P energy: -91.415 bonds (distance) P-C4' energy: -104.237 flat angles C4'-P-C4' energy: -117.091 flat angles P-C4'-P energy: -82.506 tors. eta vs tors. theta energy: -160.189 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: 290 Temperature: 0.950000 Total energy: -1742.163848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.163848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.163848 (E_RNA) where: Base-Base interactions energy: -1217.809 where: short stacking energy: -533.453 Base-Backbone interact. energy: -0.189 local terms energy: -524.166121 where: bonds (distance) C4'-P energy: -83.155 bonds (distance) P-C4' energy: -94.450 flat angles C4'-P-C4' energy: -108.412 flat angles P-C4'-P energy: -80.423 tors. eta vs tors. theta energy: -157.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1738.496962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.496962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.496962 (E_RNA) where: Base-Base interactions energy: -1204.533 where: short stacking energy: -528.775 Base-Backbone interact. energy: -1.778 local terms energy: -532.186397 where: bonds (distance) C4'-P energy: -103.392 bonds (distance) P-C4' energy: -93.355 flat angles C4'-P-C4' energy: -115.994 flat angles P-C4'-P energy: -67.242 tors. eta vs tors. theta energy: -152.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1610.517707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.517707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.517707 (E_RNA) where: Base-Base interactions energy: -1135.621 where: short stacking energy: -463.828 Base-Backbone interact. energy: -2.483 local terms energy: -472.414022 where: bonds (distance) C4'-P energy: -88.544 bonds (distance) P-C4' energy: -86.164 flat angles C4'-P-C4' energy: -101.184 flat angles P-C4'-P energy: -68.383 tors. eta vs tors. theta energy: -128.140 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: 8 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -1580.342260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.342260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.342260 (E_RNA) where: Base-Base interactions energy: -1116.786 where: short stacking energy: -450.351 Base-Backbone interact. energy: -5.093 local terms energy: -458.463948 where: bonds (distance) C4'-P energy: -90.286 bonds (distance) P-C4' energy: -90.727 flat angles C4'-P-C4' energy: -92.973 flat angles P-C4'-P energy: -63.475 tors. eta vs tors. theta energy: -121.002 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: 6, replica: 9 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -1408.097463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.097463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.097463 (E_RNA) where: Base-Base interactions energy: -998.848 where: short stacking energy: -408.464 Base-Backbone interact. energy: 0.507 local terms energy: -409.757055 where: bonds (distance) C4'-P energy: -81.427 bonds (distance) P-C4' energy: -79.636 flat angles C4'-P-C4' energy: -92.891 flat angles P-C4'-P energy: -61.405 tors. eta vs tors. theta energy: -94.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -1331.754614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.754614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.754614 (E_RNA) where: Base-Base interactions energy: -905.433 where: short stacking energy: -375.013 Base-Backbone interact. energy: -1.923 local terms energy: -424.398638 where: bonds (distance) C4'-P energy: -79.590 bonds (distance) P-C4' energy: -91.759 flat angles C4'-P-C4' energy: -93.899 flat angles P-C4'-P energy: -60.521 tors. eta vs tors. theta energy: -98.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -1118.633930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.633930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.633930 (E_RNA) where: Base-Base interactions energy: -719.016 where: short stacking energy: -334.443 Base-Backbone interact. energy: -1.994 local terms energy: -397.624675 where: bonds (distance) C4'-P energy: -86.035 bonds (distance) P-C4' energy: -94.213 flat angles C4'-P-C4' energy: -78.214 flat angles P-C4'-P energy: -56.974 tors. eta vs tors. theta energy: -82.188 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: 9, replica: 10 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -813.498792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.498792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.498792 (E_RNA) where: Base-Base interactions energy: -486.713 where: short stacking energy: -225.435 Base-Backbone interact. energy: -1.451 local terms energy: -325.334848 where: bonds (distance) C4'-P energy: -84.107 bonds (distance) P-C4' energy: -75.667 flat angles C4'-P-C4' energy: -75.513 flat angles P-C4'-P energy: -52.839 tors. eta vs tors. theta energy: -37.209 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: 10, replica: 2 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -611.416722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.416722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.416722 (E_RNA) where: Base-Base interactions energy: -334.733 where: short stacking energy: -188.027 Base-Backbone interact. energy: -0.156 local terms energy: -276.527149 where: bonds (distance) C4'-P energy: -68.645 bonds (distance) P-C4' energy: -89.565 flat angles C4'-P-C4' energy: -64.397 flat angles P-C4'-P energy: -40.042 tors. eta vs tors. theta energy: -13.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1874.149831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.149831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.149831 (E_RNA) where: Base-Base interactions energy: -1313.664 where: short stacking energy: -561.337 Base-Backbone interact. energy: 1.026 local terms energy: -561.511497 where: bonds (distance) C4'-P energy: -96.255 bonds (distance) P-C4' energy: -105.611 flat angles C4'-P-C4' energy: -117.242 flat angles P-C4'-P energy: -83.209 tors. eta vs tors. theta energy: -159.195 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: 291 Temperature: 0.950000 Total energy: -1784.806530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.806530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.806530 (E_RNA) where: Base-Base interactions energy: -1232.733 where: short stacking energy: -529.456 Base-Backbone interact. energy: -1.719 local terms energy: -550.354587 where: bonds (distance) C4'-P energy: -97.142 bonds (distance) P-C4' energy: -103.575 flat angles C4'-P-C4' energy: -116.666 flat angles P-C4'-P energy: -79.608 tors. eta vs tors. theta energy: -153.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1715.624484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.624484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.624484 (E_RNA) where: Base-Base interactions energy: -1209.833 where: short stacking energy: -507.889 Base-Backbone interact. energy: 3.173 local terms energy: -508.965415 where: bonds (distance) C4'-P energy: -93.364 bonds (distance) P-C4' energy: -93.644 flat angles C4'-P-C4' energy: -109.973 flat angles P-C4'-P energy: -69.710 tors. eta vs tors. theta energy: -142.276 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: 4, replica: 8 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -1616.323016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.323016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.323016 (E_RNA) where: Base-Base interactions energy: -1141.305 where: short stacking energy: -488.013 Base-Backbone interact. energy: 0.559 local terms energy: -475.576487 where: bonds (distance) C4'-P energy: -88.570 bonds (distance) P-C4' energy: -86.483 flat angles C4'-P-C4' energy: -94.877 flat angles P-C4'-P energy: -68.822 tors. eta vs tors. theta energy: -136.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1556.616120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.616120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.616120 (E_RNA) where: Base-Base interactions energy: -1089.660 where: short stacking energy: -442.536 Base-Backbone interact. energy: -0.515 local terms energy: -466.441044 where: bonds (distance) C4'-P energy: -86.064 bonds (distance) P-C4' energy: -86.443 flat angles C4'-P-C4' energy: -98.649 flat angles P-C4'-P energy: -77.187 tors. eta vs tors. theta energy: -118.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -1426.293921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.293921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.293921 (E_RNA) where: Base-Base interactions energy: -988.734 where: short stacking energy: -439.373 Base-Backbone interact. energy: 1.868 local terms energy: -439.427499 where: bonds (distance) C4'-P energy: -88.023 bonds (distance) P-C4' energy: -75.434 flat angles C4'-P-C4' energy: -96.220 flat angles P-C4'-P energy: -67.993 tors. eta vs tors. theta energy: -111.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -1330.976945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.976945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.976945 (E_RNA) where: Base-Base interactions energy: -921.321 where: short stacking energy: -392.531 Base-Backbone interact. energy: -0.972 local terms energy: -408.683891 where: bonds (distance) C4'-P energy: -73.141 bonds (distance) P-C4' energy: -77.516 flat angles C4'-P-C4' energy: -89.399 flat angles P-C4'-P energy: -64.036 tors. eta vs tors. theta energy: -104.592 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: 8, replica: 1 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -1124.082245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.082245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.082245 (E_RNA) where: Base-Base interactions energy: -757.987 where: short stacking energy: -315.736 Base-Backbone interact. energy: 0.297 local terms energy: -366.392440 where: bonds (distance) C4'-P energy: -85.540 bonds (distance) P-C4' energy: -73.465 flat angles C4'-P-C4' energy: -82.287 flat angles P-C4'-P energy: -57.248 tors. eta vs tors. theta energy: -67.852 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: 9, replica: 10 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -811.311343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.311343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.311343 (E_RNA) where: Base-Base interactions energy: -495.184 where: short stacking energy: -242.018 Base-Backbone interact. energy: 1.308 local terms energy: -317.435590 where: bonds (distance) C4'-P energy: -79.133 bonds (distance) P-C4' energy: -82.849 flat angles C4'-P-C4' energy: -84.218 flat angles P-C4'-P energy: -43.252 tors. eta vs tors. theta energy: -27.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -556.112982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.112982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.112982 (E_RNA) where: Base-Base interactions energy: -298.551 where: short stacking energy: -165.289 Base-Backbone interact. energy: 5.596 local terms energy: -263.158268 where: bonds (distance) C4'-P energy: -67.432 bonds (distance) P-C4' energy: -82.958 flat angles C4'-P-C4' energy: -62.658 flat angles P-C4'-P energy: -48.677 tors. eta vs tors. theta energy: -1.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1858.630499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.630499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.630499 (E_RNA) where: Base-Base interactions energy: -1312.868 where: short stacking energy: -538.259 Base-Backbone interact. energy: -0.608 local terms energy: -545.154793 where: bonds (distance) C4'-P energy: -95.371 bonds (distance) P-C4' energy: -95.148 flat angles C4'-P-C4' energy: -118.581 flat angles P-C4'-P energy: -80.530 tors. eta vs tors. theta energy: -155.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1779.101037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.101037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.101037 (E_RNA) where: Base-Base interactions energy: -1242.460 where: short stacking energy: -542.534 Base-Backbone interact. energy: -4.243 local terms energy: -532.397290 where: bonds (distance) C4'-P energy: -92.402 bonds (distance) P-C4' energy: -95.729 flat angles C4'-P-C4' energy: -105.032 flat angles P-C4'-P energy: -86.247 tors. eta vs tors. theta energy: -152.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1699.188528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.188528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.188528 (E_RNA) where: Base-Base interactions energy: -1185.837 where: short stacking energy: -513.112 Base-Backbone interact. energy: -2.454 local terms energy: -510.897886 where: bonds (distance) C4'-P energy: -98.941 bonds (distance) P-C4' energy: -80.368 flat angles C4'-P-C4' energy: -108.767 flat angles P-C4'-P energy: -75.505 tors. eta vs tors. theta energy: -147.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -1662.864468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.864468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.864468 (E_RNA) where: Base-Base interactions energy: -1167.722 where: short stacking energy: -499.565 Base-Backbone interact. energy: -2.436 local terms energy: -492.706138 where: bonds (distance) C4'-P energy: -82.627 bonds (distance) P-C4' energy: -97.899 flat angles C4'-P-C4' energy: -100.695 flat angles P-C4'-P energy: -72.595 tors. eta vs tors. theta energy: -138.891 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: 292 Temperature: 1.100000 Total energy: -1575.814485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.814485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.814485 (E_RNA) where: Base-Base interactions energy: -1116.060 where: short stacking energy: -444.704 Base-Backbone interact. energy: -2.881 local terms energy: -456.873854 where: bonds (distance) C4'-P energy: -87.369 bonds (distance) P-C4' energy: -80.557 flat angles C4'-P-C4' energy: -96.915 flat angles P-C4'-P energy: -76.166 tors. eta vs tors. theta energy: -115.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -1379.238912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.238912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.238912 (E_RNA) where: Base-Base interactions energy: -949.179 where: short stacking energy: -401.149 Base-Backbone interact. energy: 0.408 local terms energy: -430.468846 where: bonds (distance) C4'-P energy: -73.579 bonds (distance) P-C4' energy: -85.818 flat angles C4'-P-C4' energy: -96.316 flat angles P-C4'-P energy: -62.294 tors. eta vs tors. theta energy: -112.461 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: 292 Temperature: 1.200000 Total energy: -1304.234664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.234664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.234664 (E_RNA) where: Base-Base interactions energy: -887.823 where: short stacking energy: -375.285 Base-Backbone interact. energy: -3.756 local terms energy: -412.655649 where: bonds (distance) C4'-P energy: -71.817 bonds (distance) P-C4' energy: -85.368 flat angles C4'-P-C4' energy: -97.154 flat angles P-C4'-P energy: -47.069 tors. eta vs tors. theta energy: -111.247 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: 1 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -1087.896402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.896402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.896402 (E_RNA) where: Base-Base interactions energy: -708.724 where: short stacking energy: -329.505 Base-Backbone interact. energy: -1.739 local terms energy: -377.433590 where: bonds (distance) C4'-P energy: -88.360 bonds (distance) P-C4' energy: -84.487 flat angles C4'-P-C4' energy: -86.707 flat angles P-C4'-P energy: -51.095 tors. eta vs tors. theta energy: -66.785 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: 10 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -817.410772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.410772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.410772 (E_RNA) where: Base-Base interactions energy: -477.495 where: short stacking energy: -251.268 Base-Backbone interact. energy: 3.454 local terms energy: -343.369624 where: bonds (distance) C4'-P energy: -82.912 bonds (distance) P-C4' energy: -85.384 flat angles C4'-P-C4' energy: -78.148 flat angles P-C4'-P energy: -53.934 tors. eta vs tors. theta energy: -42.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -621.482615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.482615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.482615 (E_RNA) where: Base-Base interactions energy: -374.485 where: short stacking energy: -188.788 Base-Backbone interact. energy: 1.623 local terms energy: -248.620454 where: bonds (distance) C4'-P energy: -61.966 bonds (distance) P-C4' energy: -75.260 flat angles C4'-P-C4' energy: -68.343 flat angles P-C4'-P energy: -34.098 tors. eta vs tors. theta energy: -8.953 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: 1, replica: 6 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1857.599680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.599680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.599680 (E_RNA) where: Base-Base interactions energy: -1311.517 where: short stacking energy: -554.208 Base-Backbone interact. energy: 0.960 local terms energy: -547.042891 where: bonds (distance) C4'-P energy: -96.938 bonds (distance) P-C4' energy: -99.926 flat angles C4'-P-C4' energy: -111.504 flat angles P-C4'-P energy: -80.863 tors. eta vs tors. theta energy: -157.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1745.018317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.018317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.018317 (E_RNA) where: Base-Base interactions energy: -1231.111 where: short stacking energy: -521.840 Base-Backbone interact. energy: -2.768 local terms energy: -511.138639 where: bonds (distance) C4'-P energy: -82.392 bonds (distance) P-C4' energy: -104.133 flat angles C4'-P-C4' energy: -106.089 flat angles P-C4'-P energy: -69.718 tors. eta vs tors. theta energy: -148.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1697.372970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.372970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.372970 (E_RNA) where: Base-Base interactions energy: -1182.554 where: short stacking energy: -502.409 Base-Backbone interact. energy: -1.296 local terms energy: -513.522733 where: bonds (distance) C4'-P energy: -101.780 bonds (distance) P-C4' energy: -98.108 flat angles C4'-P-C4' energy: -104.234 flat angles P-C4'-P energy: -67.380 tors. eta vs tors. theta energy: -142.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -1629.805599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.805599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.805599 (E_RNA) where: Base-Base interactions energy: -1165.381 where: short stacking energy: -511.653 Base-Backbone interact. energy: -0.174 local terms energy: -464.250345 where: bonds (distance) C4'-P energy: -92.996 bonds (distance) P-C4' energy: -67.149 flat angles C4'-P-C4' energy: -104.108 flat angles P-C4'-P energy: -52.024 tors. eta vs tors. theta energy: -147.974 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: 7 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -1579.304884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.304884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.304884 (E_RNA) where: Base-Base interactions energy: -1095.480 where: short stacking energy: -469.519 Base-Backbone interact. energy: -3.205 local terms energy: -480.620332 where: bonds (distance) C4'-P energy: -86.079 bonds (distance) P-C4' energy: -89.847 flat angles C4'-P-C4' energy: -110.234 flat angles P-C4'-P energy: -64.927 tors. eta vs tors. theta energy: -129.533 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: 6, replica: 4 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -1349.772160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.772160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.772160 (E_RNA) where: Base-Base interactions energy: -908.041 where: short stacking energy: -417.359 Base-Backbone interact. energy: -3.110 local terms energy: -438.621663 where: bonds (distance) C4'-P energy: -86.380 bonds (distance) P-C4' energy: -84.635 flat angles C4'-P-C4' energy: -103.116 flat angles P-C4'-P energy: -57.903 tors. eta vs tors. theta energy: -106.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -1347.557694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.557694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.557694 (E_RNA) where: Base-Base interactions energy: -921.989 where: short stacking energy: -396.561 Base-Backbone interact. energy: -3.182 local terms energy: -422.386448 where: bonds (distance) C4'-P energy: -68.382 bonds (distance) P-C4' energy: -99.072 flat angles C4'-P-C4' energy: -99.824 flat angles P-C4'-P energy: -60.780 tors. eta vs tors. theta energy: -94.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -1094.038906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.038906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.038906 (E_RNA) where: Base-Base interactions energy: -759.017 where: short stacking energy: -321.445 Base-Backbone interact. energy: -2.524 local terms energy: -332.498477 where: bonds (distance) C4'-P energy: -57.032 bonds (distance) P-C4' energy: -65.089 flat angles C4'-P-C4' energy: -93.325 flat angles P-C4'-P energy: -50.404 tors. eta vs tors. theta energy: -66.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -834.999784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.999784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.999784 (E_RNA) where: Base-Base interactions energy: -524.952 where: short stacking energy: -234.279 Base-Backbone interact. energy: 5.369 local terms energy: -315.417156 where: bonds (distance) C4'-P energy: -67.175 bonds (distance) P-C4' energy: -82.857 flat angles C4'-P-C4' energy: -80.987 flat angles P-C4'-P energy: -48.802 tors. eta vs tors. theta energy: -35.596 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: 2 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -621.824701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.824701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.824701 (E_RNA) where: Base-Base interactions energy: -326.820 where: short stacking energy: -186.315 Base-Backbone interact. energy: -0.759 local terms energy: -294.246151 where: bonds (distance) C4'-P energy: -74.715 bonds (distance) P-C4' energy: -89.391 flat angles C4'-P-C4' energy: -67.886 flat angles P-C4'-P energy: -50.362 tors. eta vs tors. theta energy: -11.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1867.526464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.526464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.526464 (E_RNA) where: Base-Base interactions energy: -1324.574 where: short stacking energy: -549.624 Base-Backbone interact. energy: -0.637 local terms energy: -542.315283 where: bonds (distance) C4'-P energy: -94.635 bonds (distance) P-C4' energy: -97.191 flat angles C4'-P-C4' energy: -120.820 flat angles P-C4'-P energy: -70.477 tors. eta vs tors. theta energy: -159.192 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: 5 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1741.382823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1741.382823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1741.382823 (E_RNA) where: Base-Base interactions energy: -1200.728 where: short stacking energy: -508.416 Base-Backbone interact. energy: -2.975 local terms energy: -537.679768 where: bonds (distance) C4'-P energy: -111.281 bonds (distance) P-C4' energy: -99.949 flat angles C4'-P-C4' energy: -110.045 flat angles P-C4'-P energy: -76.502 tors. eta vs tors. theta energy: -139.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1703.032533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.032533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.032533 (E_RNA) where: Base-Base interactions energy: -1175.094 where: short stacking energy: -481.963 Base-Backbone interact. energy: -4.964 local terms energy: -522.973989 where: bonds (distance) C4'-P energy: -105.777 bonds (distance) P-C4' energy: -83.814 flat angles C4'-P-C4' energy: -113.127 flat angles P-C4'-P energy: -77.682 tors. eta vs tors. theta energy: -142.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1692.352066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.352066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.352066 (E_RNA) where: Base-Base interactions energy: -1195.734 where: short stacking energy: -511.747 Base-Backbone interact. energy: -0.888 local terms energy: -495.730326 where: bonds (distance) C4'-P energy: -78.424 bonds (distance) P-C4' energy: -88.793 flat angles C4'-P-C4' energy: -104.801 flat angles P-C4'-P energy: -81.539 tors. eta vs tors. theta energy: -142.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -1578.909664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1578.909664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1578.909664 (E_RNA) where: Base-Base interactions energy: -1107.123 where: short stacking energy: -461.008 Base-Backbone interact. energy: 3.627 local terms energy: -475.414113 where: bonds (distance) C4'-P energy: -94.070 bonds (distance) P-C4' energy: -83.424 flat angles C4'-P-C4' energy: -102.936 flat angles P-C4'-P energy: -66.942 tors. eta vs tors. theta energy: -128.042 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: 4 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -1392.985299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.985299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.985299 (E_RNA) where: Base-Base interactions energy: -955.251 where: short stacking energy: -440.509 Base-Backbone interact. energy: -1.394 local terms energy: -436.339644 where: bonds (distance) C4'-P energy: -79.694 bonds (distance) P-C4' energy: -84.067 flat angles C4'-P-C4' energy: -96.501 flat angles P-C4'-P energy: -59.758 tors. eta vs tors. theta energy: -116.320 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: 9 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -1296.463583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.463583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.463583 (E_RNA) where: Base-Base interactions energy: -893.859 where: short stacking energy: -384.343 Base-Backbone interact. energy: -2.572 local terms energy: -400.032456 where: bonds (distance) C4'-P energy: -80.855 bonds (distance) P-C4' energy: -83.568 flat angles C4'-P-C4' energy: -81.424 flat angles P-C4'-P energy: -57.612 tors. eta vs tors. theta energy: -96.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -1115.100900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.100900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.100900 (E_RNA) where: Base-Base interactions energy: -754.434 where: short stacking energy: -330.134 Base-Backbone interact. energy: -0.013 local terms energy: -360.654316 where: bonds (distance) C4'-P energy: -70.495 bonds (distance) P-C4' energy: -92.236 flat angles C4'-P-C4' energy: -82.342 flat angles P-C4'-P energy: -47.642 tors. eta vs tors. theta energy: -67.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -844.983437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.983437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.983437 (E_RNA) where: Base-Base interactions energy: -528.108 where: short stacking energy: -256.172 Base-Backbone interact. energy: -1.399 local terms energy: -315.475972 where: bonds (distance) C4'-P energy: -61.559 bonds (distance) P-C4' energy: -78.337 flat angles C4'-P-C4' energy: -69.825 flat angles P-C4'-P energy: -54.543 tors. eta vs tors. theta energy: -51.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -637.119471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.119471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.119471 (E_RNA) where: Base-Base interactions energy: -316.862 where: short stacking energy: -173.548 Base-Backbone interact. energy: -2.287 local terms energy: -317.970146 where: bonds (distance) C4'-P energy: -82.101 bonds (distance) P-C4' energy: -96.729 flat angles C4'-P-C4' energy: -58.775 flat angles P-C4'-P energy: -62.256 tors. eta vs tors. theta energy: -18.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1856.432994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.432994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.432994 (E_RNA) where: Base-Base interactions energy: -1309.424 where: short stacking energy: -543.377 Base-Backbone interact. energy: -0.262 local terms energy: -546.746431 where: bonds (distance) C4'-P energy: -99.336 bonds (distance) P-C4' energy: -102.737 flat angles C4'-P-C4' energy: -105.433 flat angles P-C4'-P energy: -86.959 tors. eta vs tors. theta energy: -152.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1753.453964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.453964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.453964 (E_RNA) where: Base-Base interactions energy: -1207.640 where: short stacking energy: -524.444 Base-Backbone interact. energy: -3.535 local terms energy: -542.278603 where: bonds (distance) C4'-P energy: -101.248 bonds (distance) P-C4' energy: -97.409 flat angles C4'-P-C4' energy: -111.193 flat angles P-C4'-P energy: -76.938 tors. eta vs tors. theta energy: -155.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1676.752549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.752549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.752549 (E_RNA) where: Base-Base interactions energy: -1175.446 where: short stacking energy: -492.730 Base-Backbone interact. energy: -2.628 local terms energy: -498.678414 where: bonds (distance) C4'-P energy: -83.488 bonds (distance) P-C4' energy: -100.197 flat angles C4'-P-C4' energy: -102.859 flat angles P-C4'-P energy: -71.636 tors. eta vs tors. theta energy: -140.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1685.743090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.743090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.743090 (E_RNA) where: Base-Base interactions energy: -1183.875 where: short stacking energy: -491.916 Base-Backbone interact. energy: -3.305 local terms energy: -498.563578 where: bonds (distance) C4'-P energy: -84.807 bonds (distance) P-C4' energy: -86.214 flat angles C4'-P-C4' energy: -103.153 flat angles P-C4'-P energy: -74.639 tors. eta vs tors. theta energy: -149.751 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: 5, replica: 7 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -1546.566930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1546.566930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1546.566930 (E_RNA) where: Base-Base interactions energy: -1095.685 where: short stacking energy: -457.359 Base-Backbone interact. energy: -0.061 local terms energy: -450.820800 where: bonds (distance) C4'-P energy: -64.010 bonds (distance) P-C4' energy: -86.477 flat angles C4'-P-C4' energy: -103.844 flat angles P-C4'-P energy: -69.316 tors. eta vs tors. theta energy: -127.174 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: 6, replica: 9 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -1364.122947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.122947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.122947 (E_RNA) where: Base-Base interactions energy: -949.211 where: short stacking energy: -411.292 Base-Backbone interact. energy: -1.541 local terms energy: -413.371171 where: bonds (distance) C4'-P energy: -77.250 bonds (distance) P-C4' energy: -80.331 flat angles C4'-P-C4' energy: -93.707 flat angles P-C4'-P energy: -65.372 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: 7, replica: 4 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -1448.462265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.462265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.462265 (E_RNA) where: Base-Base interactions energy: -978.992 where: short stacking energy: -404.420 Base-Backbone interact. energy: -3.054 local terms energy: -466.415898 where: bonds (distance) C4'-P energy: -89.283 bonds (distance) P-C4' energy: -92.616 flat angles C4'-P-C4' energy: -102.673 flat angles P-C4'-P energy: -56.077 tors. eta vs tors. theta energy: -125.768 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: 1 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -1217.904805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.904805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.904805 (E_RNA) where: Base-Base interactions energy: -808.431 where: short stacking energy: -351.247 Base-Backbone interact. energy: -2.243 local terms energy: -407.231165 where: bonds (distance) C4'-P energy: -82.809 bonds (distance) P-C4' energy: -95.705 flat angles C4'-P-C4' energy: -82.803 flat angles P-C4'-P energy: -58.982 tors. eta vs tors. theta energy: -86.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -860.500777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.500777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.500777 (E_RNA) where: Base-Base interactions energy: -533.913 where: short stacking energy: -250.696 Base-Backbone interact. energy: 4.456 local terms energy: -331.043935 where: bonds (distance) C4'-P energy: -72.770 bonds (distance) P-C4' energy: -77.695 flat angles C4'-P-C4' energy: -94.312 flat angles P-C4'-P energy: -51.887 tors. eta vs tors. theta energy: -34.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -676.140480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.140480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.140480 (E_RNA) where: Base-Base interactions energy: -368.075 where: short stacking energy: -179.695 Base-Backbone interact. energy: 1.879 local terms energy: -309.944523 where: bonds (distance) C4'-P energy: -94.714 bonds (distance) P-C4' energy: -81.132 flat angles C4'-P-C4' energy: -67.873 flat angles P-C4'-P energy: -39.523 tors. eta vs tors. theta energy: -26.704 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: 1, replica: 6 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1842.974505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.974505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.974505 (E_RNA) where: Base-Base interactions energy: -1305.675 where: short stacking energy: -534.101 Base-Backbone interact. energy: -1.035 local terms energy: -536.264296 where: bonds (distance) C4'-P energy: -96.716 bonds (distance) P-C4' energy: -94.132 flat angles C4'-P-C4' energy: -115.834 flat angles P-C4'-P energy: -75.827 tors. eta vs tors. theta energy: -153.756 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: 5 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1757.581474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.581474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.581474 (E_RNA) where: Base-Base interactions energy: -1226.061 where: short stacking energy: -535.907 Base-Backbone interact. energy: -1.940 local terms energy: -529.579560 where: bonds (distance) C4'-P energy: -96.676 bonds (distance) P-C4' energy: -91.477 flat angles C4'-P-C4' energy: -109.018 flat angles P-C4'-P energy: -79.534 tors. eta vs tors. theta energy: -152.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1706.964387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.964387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.964387 (E_RNA) where: Base-Base interactions energy: -1184.722 where: short stacking energy: -490.638 Base-Backbone interact. energy: -0.744 local terms energy: -521.498306 where: bonds (distance) C4'-P energy: -104.676 bonds (distance) P-C4' energy: -86.519 flat angles C4'-P-C4' energy: -110.346 flat angles P-C4'-P energy: -78.187 tors. eta vs tors. theta energy: -141.771 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: 4, replica: 3 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1678.578111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.578111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.578111 (E_RNA) where: Base-Base interactions energy: -1171.340 where: short stacking energy: -487.889 Base-Backbone interact. energy: 2.362 local terms energy: -509.599175 where: bonds (distance) C4'-P energy: -80.581 bonds (distance) P-C4' energy: -111.370 flat angles C4'-P-C4' energy: -104.971 flat angles P-C4'-P energy: -70.179 tors. eta vs tors. theta energy: -142.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -1507.380520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.380520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.380520 (E_RNA) where: Base-Base interactions energy: -1054.839 where: short stacking energy: -447.200 Base-Backbone interact. energy: -2.769 local terms energy: -449.772476 where: bonds (distance) C4'-P energy: -86.854 bonds (distance) P-C4' energy: -92.854 flat angles C4'-P-C4' energy: -91.107 flat angles P-C4'-P energy: -59.572 tors. eta vs tors. theta energy: -119.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -1345.677234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.677234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.677234 (E_RNA) where: Base-Base interactions energy: -909.296 where: short stacking energy: -394.984 Base-Backbone interact. energy: -0.896 local terms energy: -435.484756 where: bonds (distance) C4'-P energy: -84.289 bonds (distance) P-C4' energy: -83.013 flat angles C4'-P-C4' energy: -99.715 flat angles P-C4'-P energy: -70.015 tors. eta vs tors. theta energy: -98.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -1416.677596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.677596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.677596 (E_RNA) where: Base-Base interactions energy: -962.797 where: short stacking energy: -454.787 Base-Backbone interact. energy: 0.033 local terms energy: -453.913147 where: bonds (distance) C4'-P energy: -87.773 bonds (distance) P-C4' energy: -92.101 flat angles C4'-P-C4' energy: -93.284 flat angles P-C4'-P energy: -56.930 tors. eta vs tors. theta energy: -123.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -1199.758211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.758211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.758211 (E_RNA) where: Base-Base interactions energy: -820.123 where: short stacking energy: -371.085 Base-Backbone interact. energy: -2.634 local terms energy: -377.001762 where: bonds (distance) C4'-P energy: -81.832 bonds (distance) P-C4' energy: -75.693 flat angles C4'-P-C4' energy: -86.616 flat angles P-C4'-P energy: -57.905 tors. eta vs tors. theta energy: -74.956 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: 10 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -889.490297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.490297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.490297 (E_RNA) where: Base-Base interactions energy: -576.297 where: short stacking energy: -269.066 Base-Backbone interact. energy: 7.563 local terms energy: -320.756520 where: bonds (distance) C4'-P energy: -64.375 bonds (distance) P-C4' energy: -90.537 flat angles C4'-P-C4' energy: -82.434 flat angles P-C4'-P energy: -41.491 tors. eta vs tors. theta energy: -41.919 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: 2 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -732.686078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.686078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.686078 (E_RNA) where: Base-Base interactions energy: -425.412 where: short stacking energy: -206.392 Base-Backbone interact. energy: -1.946 local terms energy: -305.327676 where: bonds (distance) C4'-P energy: -70.487 bonds (distance) P-C4' energy: -90.149 flat angles C4'-P-C4' energy: -90.033 flat angles P-C4'-P energy: -55.018 tors. eta vs tors. theta energy: 0.360 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: 1, replica: 6 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1842.467138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.467138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.467138 (E_RNA) where: Base-Base interactions energy: -1294.835 where: short stacking energy: -534.724 Base-Backbone interact. energy: -2.201 local terms energy: -545.431803 where: bonds (distance) C4'-P energy: -97.816 bonds (distance) P-C4' energy: -103.932 flat angles C4'-P-C4' energy: -110.571 flat angles P-C4'-P energy: -79.527 tors. eta vs tors. theta energy: -153.586 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: 5 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1724.932041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.932041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.932041 (E_RNA) where: Base-Base interactions energy: -1189.476 where: short stacking energy: -532.045 Base-Backbone interact. energy: -1.261 local terms energy: -534.194911 where: bonds (distance) C4'-P energy: -95.345 bonds (distance) P-C4' energy: -97.859 flat angles C4'-P-C4' energy: -113.439 flat angles P-C4'-P energy: -80.522 tors. eta vs tors. theta energy: -147.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1703.936106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.936106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.936106 (E_RNA) where: Base-Base interactions energy: -1188.778 where: short stacking energy: -508.705 Base-Backbone interact. energy: -3.146 local terms energy: -512.012407 where: bonds (distance) C4'-P energy: -92.969 bonds (distance) P-C4' energy: -97.391 flat angles C4'-P-C4' energy: -113.555 flat angles P-C4'-P energy: -66.230 tors. eta vs tors. theta energy: -141.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1656.889741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.889741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.889741 (E_RNA) where: Base-Base interactions energy: -1147.402 where: short stacking energy: -485.669 Base-Backbone interact. energy: -0.916 local terms energy: -508.571888 where: bonds (distance) C4'-P energy: -92.131 bonds (distance) P-C4' energy: -89.394 flat angles C4'-P-C4' energy: -103.383 flat angles P-C4'-P energy: -74.989 tors. eta vs tors. theta energy: -148.675 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: 7 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -1487.063804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1487.063804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1487.063804 (E_RNA) where: Base-Base interactions energy: -1033.743 where: short stacking energy: -431.714 Base-Backbone interact. energy: -0.942 local terms energy: -452.378374 where: bonds (distance) C4'-P energy: -102.029 bonds (distance) P-C4' energy: -78.053 flat angles C4'-P-C4' energy: -98.284 flat angles P-C4'-P energy: -61.334 tors. eta vs tors. theta energy: -112.679 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: 9 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -1346.581772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.581772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.581772 (E_RNA) where: Base-Base interactions energy: -919.673 where: short stacking energy: -393.751 Base-Backbone interact. energy: 0.825 local terms energy: -427.733945 where: bonds (distance) C4'-P energy: -82.255 bonds (distance) P-C4' energy: -94.774 flat angles C4'-P-C4' energy: -96.040 flat angles P-C4'-P energy: -57.940 tors. eta vs tors. theta energy: -96.725 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: 297 Temperature: 1.200000 Total energy: -1354.724870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.724870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.724870 (E_RNA) where: Base-Base interactions energy: -922.755 where: short stacking energy: -393.117 Base-Backbone interact. energy: -0.940 local terms energy: -431.029967 where: bonds (distance) C4'-P energy: -83.395 bonds (distance) P-C4' energy: -89.101 flat angles C4'-P-C4' energy: -93.360 flat angles P-C4'-P energy: -56.848 tors. eta vs tors. theta energy: -108.326 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: 8, replica: 1 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -1221.554387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.554387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.554387 (E_RNA) where: Base-Base interactions energy: -801.264 where: short stacking energy: -336.843 Base-Backbone interact. energy: -2.820 local terms energy: -417.470622 where: bonds (distance) C4'-P energy: -87.250 bonds (distance) P-C4' energy: -87.760 flat angles C4'-P-C4' energy: -86.078 flat angles P-C4'-P energy: -56.796 tors. eta vs tors. theta energy: -99.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -880.234158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.234158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.234158 (E_RNA) where: Base-Base interactions energy: -549.105 where: short stacking energy: -262.490 Base-Backbone interact. energy: 3.788 local terms energy: -334.916674 where: bonds (distance) C4'-P energy: -85.989 bonds (distance) P-C4' energy: -81.093 flat angles C4'-P-C4' energy: -78.524 flat angles P-C4'-P energy: -48.112 tors. eta vs tors. theta energy: -41.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -614.327852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.327852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.327852 (E_RNA) where: Base-Base interactions energy: -336.423 where: short stacking energy: -178.958 Base-Backbone interact. energy: 0.904 local terms energy: -278.808438 where: bonds (distance) C4'-P energy: -86.567 bonds (distance) P-C4' energy: -76.934 flat angles C4'-P-C4' energy: -65.835 flat angles P-C4'-P energy: -46.172 tors. eta vs tors. theta energy: -3.300 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: 6 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1856.635988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.635988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.635988 (E_RNA) where: Base-Base interactions energy: -1321.186 where: short stacking energy: -549.907 Base-Backbone interact. energy: 0.429 local terms energy: -535.879208 where: bonds (distance) C4'-P energy: -83.875 bonds (distance) P-C4' energy: -96.831 flat angles C4'-P-C4' energy: -115.765 flat angles P-C4'-P energy: -81.842 tors. eta vs tors. theta energy: -157.567 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: 298 Temperature: 0.950000 Total energy: -1747.413259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.413259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.413259 (E_RNA) where: Base-Base interactions energy: -1217.376 where: short stacking energy: -504.017 Base-Backbone interact. energy: -0.593 local terms energy: -529.444523 where: bonds (distance) C4'-P energy: -93.102 bonds (distance) P-C4' energy: -97.147 flat angles C4'-P-C4' energy: -113.203 flat angles P-C4'-P energy: -75.828 tors. eta vs tors. theta energy: -150.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1711.980746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.980746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.980746 (E_RNA) where: Base-Base interactions energy: -1182.616 where: short stacking energy: -496.179 Base-Backbone interact. energy: -2.256 local terms energy: -527.107791 where: bonds (distance) C4'-P energy: -94.448 bonds (distance) P-C4' energy: -101.348 flat angles C4'-P-C4' energy: -109.245 flat angles P-C4'-P energy: -71.246 tors. eta vs tors. theta energy: -150.821 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: 3 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1644.271356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1644.271356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1644.271356 (E_RNA) where: Base-Base interactions energy: -1147.548 where: short stacking energy: -497.761 Base-Backbone interact. energy: 3.486 local terms energy: -500.208594 where: bonds (distance) C4'-P energy: -94.353 bonds (distance) P-C4' energy: -91.312 flat angles C4'-P-C4' energy: -100.530 flat angles P-C4'-P energy: -70.954 tors. eta vs tors. theta energy: -143.058 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: 7 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -1490.021327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.021327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.021327 (E_RNA) where: Base-Base interactions energy: -1042.833 where: short stacking energy: -427.753 Base-Backbone interact. energy: -1.085 local terms energy: -446.103266 where: bonds (distance) C4'-P energy: -79.190 bonds (distance) P-C4' energy: -95.161 flat angles C4'-P-C4' energy: -95.260 flat angles P-C4'-P energy: -75.044 tors. eta vs tors. theta energy: -101.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -1317.445440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.445440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.445440 (E_RNA) where: Base-Base interactions energy: -905.595 where: short stacking energy: -399.255 Base-Backbone interact. energy: -1.499 local terms energy: -410.351479 where: bonds (distance) C4'-P energy: -78.413 bonds (distance) P-C4' energy: -85.110 flat angles C4'-P-C4' energy: -101.722 flat angles P-C4'-P energy: -44.378 tors. eta vs tors. theta energy: -100.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -1370.540849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.540849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.540849 (E_RNA) where: Base-Base interactions energy: -941.364 where: short stacking energy: -419.689 Base-Backbone interact. energy: -2.032 local terms energy: -427.145169 where: bonds (distance) C4'-P energy: -92.426 bonds (distance) P-C4' energy: -78.926 flat angles C4'-P-C4' energy: -95.333 flat angles P-C4'-P energy: -58.179 tors. eta vs tors. theta energy: -102.280 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: 1 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -1189.651734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.651734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.651734 (E_RNA) where: Base-Base interactions energy: -799.340 where: short stacking energy: -348.863 Base-Backbone interact. energy: 0.440 local terms energy: -390.751741 where: bonds (distance) C4'-P energy: -84.150 bonds (distance) P-C4' energy: -82.133 flat angles C4'-P-C4' energy: -89.318 flat angles P-C4'-P energy: -48.576 tors. eta vs tors. theta energy: -86.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -912.458966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.458966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.458966 (E_RNA) where: Base-Base interactions energy: -576.616 where: short stacking energy: -262.490 Base-Backbone interact. energy: 2.168 local terms energy: -338.011332 where: bonds (distance) C4'-P energy: -76.137 bonds (distance) P-C4' energy: -99.902 flat angles C4'-P-C4' energy: -84.614 flat angles P-C4'-P energy: -42.142 tors. eta vs tors. theta energy: -35.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -637.119031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.119031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.119031 (E_RNA) where: Base-Base interactions energy: -332.527 where: short stacking energy: -172.006 Base-Backbone interact. energy: 0.927 local terms energy: -305.518799 where: bonds (distance) C4'-P energy: -73.397 bonds (distance) P-C4' energy: -92.722 flat angles C4'-P-C4' energy: -74.052 flat angles P-C4'-P energy: -55.505 tors. eta vs tors. theta energy: -9.843 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: 1, replica: 6 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1864.458574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.458574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.458574 (E_RNA) where: Base-Base interactions energy: -1310.940 where: short stacking energy: -531.637 Base-Backbone interact. energy: -1.733 local terms energy: -551.785225 where: bonds (distance) C4'-P energy: -104.068 bonds (distance) P-C4' energy: -86.316 flat angles C4'-P-C4' energy: -115.659 flat angles P-C4'-P energy: -92.205 tors. eta vs tors. theta energy: -153.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1737.872267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.872267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.872267 (E_RNA) where: Base-Base interactions energy: -1213.539 where: short stacking energy: -514.258 Base-Backbone interact. energy: -0.726 local terms energy: -523.607454 where: bonds (distance) C4'-P energy: -98.264 bonds (distance) P-C4' energy: -96.365 flat angles C4'-P-C4' energy: -102.692 flat angles P-C4'-P energy: -68.247 tors. eta vs tors. theta energy: -158.039 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: 299 Temperature: 1.000000 Total energy: -1714.734464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.734464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.734464 (E_RNA) where: Base-Base interactions energy: -1191.197 where: short stacking energy: -535.079 Base-Backbone interact. energy: -2.127 local terms energy: -521.410892 where: bonds (distance) C4'-P energy: -97.412 bonds (distance) P-C4' energy: -89.264 flat angles C4'-P-C4' energy: -112.253 flat angles P-C4'-P energy: -75.487 tors. eta vs tors. theta energy: -146.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1643.960140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1643.960140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1643.960140 (E_RNA) where: Base-Base interactions energy: -1142.375 where: short stacking energy: -510.290 Base-Backbone interact. energy: -0.430 local terms energy: -501.155424 where: bonds (distance) C4'-P energy: -96.536 bonds (distance) P-C4' energy: -94.089 flat angles C4'-P-C4' energy: -99.324 flat angles P-C4'-P energy: -67.623 tors. eta vs tors. theta energy: -143.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -1530.482466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.482466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.482466 (E_RNA) where: Base-Base interactions energy: -1081.010 where: short stacking energy: -430.716 Base-Backbone interact. energy: -3.821 local terms energy: -445.651250 where: bonds (distance) C4'-P energy: -84.888 bonds (distance) P-C4' energy: -73.072 flat angles C4'-P-C4' energy: -103.148 flat angles P-C4'-P energy: -66.458 tors. eta vs tors. theta energy: -118.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -1421.281991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.281991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.281991 (E_RNA) where: Base-Base interactions energy: -954.390 where: short stacking energy: -428.216 Base-Backbone interact. energy: -2.756 local terms energy: -464.136132 where: bonds (distance) C4'-P energy: -93.337 bonds (distance) P-C4' energy: -87.116 flat angles C4'-P-C4' energy: -94.580 flat angles P-C4'-P energy: -68.799 tors. eta vs tors. theta energy: -120.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -1270.680427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.680427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.680427 (E_RNA) where: Base-Base interactions energy: -858.582 where: short stacking energy: -387.283 Base-Backbone interact. energy: 2.122 local terms energy: -414.220675 where: bonds (distance) C4'-P energy: -80.862 bonds (distance) P-C4' energy: -88.780 flat angles C4'-P-C4' energy: -98.406 flat angles P-C4'-P energy: -59.816 tors. eta vs tors. theta energy: -86.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -1183.182230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.182230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.182230 (E_RNA) where: Base-Base interactions energy: -804.857 where: short stacking energy: -328.660 Base-Backbone interact. energy: -1.978 local terms energy: -376.347719 where: bonds (distance) C4'-P energy: -90.453 bonds (distance) P-C4' energy: -71.187 flat angles C4'-P-C4' energy: -94.741 flat angles P-C4'-P energy: -54.382 tors. eta vs tors. theta energy: -65.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -871.685212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.685212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.685212 (E_RNA) where: Base-Base interactions energy: -549.513 where: short stacking energy: -259.508 Base-Backbone interact. energy: -1.558 local terms energy: -320.613780 where: bonds (distance) C4'-P energy: -70.868 bonds (distance) P-C4' energy: -70.401 flat angles C4'-P-C4' energy: -87.934 flat angles P-C4'-P energy: -44.704 tors. eta vs tors. theta energy: -46.707 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: 10, replica: 2 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -699.723537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.723537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.723537 (E_RNA) where: Base-Base interactions energy: -432.658 where: short stacking energy: -188.476 Base-Backbone interact. energy: -0.553 local terms energy: -266.512651 where: bonds (distance) C4'-P energy: -77.730 bonds (distance) P-C4' energy: -78.367 flat angles C4'-P-C4' energy: -76.690 flat angles P-C4'-P energy: -27.200 tors. eta vs tors. theta energy: -6.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1853.220228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.220228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.220228 (E_RNA) where: Base-Base interactions energy: -1310.673 where: short stacking energy: -534.148 Base-Backbone interact. energy: -4.227 local terms energy: -538.319917 where: bonds (distance) C4'-P energy: -93.162 bonds (distance) P-C4' energy: -98.006 flat angles C4'-P-C4' energy: -118.707 flat angles P-C4'-P energy: -77.668 tors. eta vs tors. theta energy: -150.777 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: 8 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1717.168954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.168954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.168954 (E_RNA) where: Base-Base interactions energy: -1181.634 where: short stacking energy: -521.941 Base-Backbone interact. energy: -0.030 local terms energy: -535.504835 where: bonds (distance) C4'-P energy: -89.367 bonds (distance) P-C4' energy: -106.854 flat angles C4'-P-C4' energy: -109.672 flat angles P-C4'-P energy: -71.512 tors. eta vs tors. theta energy: -158.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1721.965150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.965150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.965150 (E_RNA) where: Base-Base interactions energy: -1212.130 where: short stacking energy: -516.136 Base-Backbone interact. energy: -2.329 local terms energy: -507.506831 where: bonds (distance) C4'-P energy: -92.071 bonds (distance) P-C4' energy: -90.034 flat angles C4'-P-C4' energy: -104.781 flat angles P-C4'-P energy: -71.246 tors. eta vs tors. theta energy: -149.374 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: 300 Temperature: 1.050000 Total energy: -1637.527236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.527236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.527236 (E_RNA) where: Base-Base interactions energy: -1153.296 where: short stacking energy: -480.515 Base-Backbone interact. energy: 2.820 local terms energy: -487.050851 where: bonds (distance) C4'-P energy: -86.121 bonds (distance) P-C4' energy: -99.015 flat angles C4'-P-C4' energy: -92.134 flat angles P-C4'-P energy: -74.245 tors. eta vs tors. theta energy: -135.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -1504.497163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.497163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.497163 (E_RNA) where: Base-Base interactions energy: -1034.707 where: short stacking energy: -421.458 Base-Backbone interact. energy: -2.432 local terms energy: -467.358260 where: bonds (distance) C4'-P energy: -86.867 bonds (distance) P-C4' energy: -104.868 flat angles C4'-P-C4' energy: -105.913 flat angles P-C4'-P energy: -61.200 tors. eta vs tors. theta energy: -108.510 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: 300 Temperature: 1.150000 Total energy: -1384.368513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.368513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.368513 (E_RNA) where: Base-Base interactions energy: -934.626 where: short stacking energy: -425.741 Base-Backbone interact. energy: -1.405 local terms energy: -448.337130 where: bonds (distance) C4'-P energy: -71.081 bonds (distance) P-C4' energy: -92.696 flat angles C4'-P-C4' energy: -97.614 flat angles P-C4'-P energy: -69.500 tors. eta vs tors. theta energy: -117.446 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: 7, replica: 9 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -1315.298681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.298681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.298681 (E_RNA) where: Base-Base interactions energy: -891.912 where: short stacking energy: -404.116 Base-Backbone interact. energy: 0.545 local terms energy: -423.931118 where: bonds (distance) C4'-P energy: -81.966 bonds (distance) P-C4' energy: -86.915 flat angles C4'-P-C4' energy: -89.253 flat angles P-C4'-P energy: -58.630 tors. eta vs tors. theta energy: -107.168 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: 1 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -1230.445596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.445596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.445596 (E_RNA) where: Base-Base interactions energy: -837.013 where: short stacking energy: -387.316 Base-Backbone interact. energy: -1.204 local terms energy: -392.228639 where: bonds (distance) C4'-P energy: -88.634 bonds (distance) P-C4' energy: -74.245 flat angles C4'-P-C4' energy: -79.047 flat angles P-C4'-P energy: -53.963 tors. eta vs tors. theta energy: -96.340 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: 10 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -894.443603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.443603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.443603 (E_RNA) where: Base-Base interactions energy: -591.376 where: short stacking energy: -279.900 Base-Backbone interact. energy: 0.202 local terms energy: -303.269827 where: bonds (distance) C4'-P energy: -61.023 bonds (distance) P-C4' energy: -69.431 flat angles C4'-P-C4' energy: -79.933 flat angles P-C4'-P energy: -51.599 tors. eta vs tors. theta energy: -41.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -708.190085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.190085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.190085 (E_RNA) where: Base-Base interactions energy: -438.446 where: short stacking energy: -207.366 Base-Backbone interact. energy: -0.728 local terms energy: -269.016293 where: bonds (distance) C4'-P energy: -85.465 bonds (distance) P-C4' energy: -59.656 flat angles C4'-P-C4' energy: -67.972 flat angles P-C4'-P energy: -36.338 tors. eta vs tors. theta energy: -19.585 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: 6 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1858.542256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.542256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.542256 (E_RNA) where: Base-Base interactions energy: -1315.676 where: short stacking energy: -542.125 Base-Backbone interact. energy: -3.912 local terms energy: -538.953438 where: bonds (distance) C4'-P energy: -97.137 bonds (distance) P-C4' energy: -98.365 flat angles C4'-P-C4' energy: -110.544 flat angles P-C4'-P energy: -81.332 tors. eta vs tors. theta energy: -151.575 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: 8 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1737.836029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.836029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.836029 (E_RNA) where: Base-Base interactions energy: -1203.424 where: short stacking energy: -534.892 Base-Backbone interact. energy: -2.534 local terms energy: -531.878053 where: bonds (distance) C4'-P energy: -107.952 bonds (distance) P-C4' energy: -90.154 flat angles C4'-P-C4' energy: -101.871 flat angles P-C4'-P energy: -80.436 tors. eta vs tors. theta energy: -151.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1703.861195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.861195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.861195 (E_RNA) where: Base-Base interactions energy: -1194.302 where: short stacking energy: -501.286 Base-Backbone interact. energy: 0.098 local terms energy: -509.657140 where: bonds (distance) C4'-P energy: -95.371 bonds (distance) P-C4' energy: -92.234 flat angles C4'-P-C4' energy: -104.996 flat angles P-C4'-P energy: -68.779 tors. eta vs tors. theta energy: -148.276 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: 4, replica: 3 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1647.442717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1647.442717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1647.442717 (E_RNA) where: Base-Base interactions energy: -1157.782 where: short stacking energy: -488.192 Base-Backbone interact. energy: -2.614 local terms energy: -487.045983 where: bonds (distance) C4'-P energy: -82.364 bonds (distance) P-C4' energy: -81.460 flat angles C4'-P-C4' energy: -106.823 flat angles P-C4'-P energy: -73.304 tors. eta vs tors. theta energy: -143.094 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: 7 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -1527.431070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.431070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.431070 (E_RNA) where: Base-Base interactions energy: -1067.066 where: short stacking energy: -436.935 Base-Backbone interact. energy: -1.400 local terms energy: -458.965327 where: bonds (distance) C4'-P energy: -94.486 bonds (distance) P-C4' energy: -86.980 flat angles C4'-P-C4' energy: -96.541 flat angles P-C4'-P energy: -66.148 tors. eta vs tors. theta energy: -114.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -1368.266050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.266050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.266050 (E_RNA) where: Base-Base interactions energy: -929.258 where: short stacking energy: -401.486 Base-Backbone interact. energy: -0.177 local terms energy: -438.831729 where: bonds (distance) C4'-P energy: -88.145 bonds (distance) P-C4' energy: -81.938 flat angles C4'-P-C4' energy: -95.183 flat angles P-C4'-P energy: -55.112 tors. eta vs tors. theta energy: -118.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -1318.499647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.499647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.499647 (E_RNA) where: Base-Base interactions energy: -876.939 where: short stacking energy: -390.819 Base-Backbone interact. energy: -0.984 local terms energy: -440.576555 where: bonds (distance) C4'-P energy: -83.071 bonds (distance) P-C4' energy: -87.514 flat angles C4'-P-C4' energy: -86.480 flat angles P-C4'-P energy: -71.570 tors. eta vs tors. theta energy: -111.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -1145.231806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.231806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.231806 (E_RNA) where: Base-Base interactions energy: -756.310 where: short stacking energy: -331.025 Base-Backbone interact. energy: -1.216 local terms energy: -387.705263 where: bonds (distance) C4'-P energy: -77.792 bonds (distance) P-C4' energy: -80.395 flat angles C4'-P-C4' energy: -87.288 flat angles P-C4'-P energy: -62.014 tors. eta vs tors. theta energy: -80.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -981.906449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.906449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.906449 (E_RNA) where: Base-Base interactions energy: -621.504 where: short stacking energy: -295.670 Base-Backbone interact. energy: 0.429 local terms energy: -360.831692 where: bonds (distance) C4'-P energy: -65.912 bonds (distance) P-C4' energy: -89.237 flat angles C4'-P-C4' energy: -87.844 flat angles P-C4'-P energy: -55.622 tors. eta vs tors. theta energy: -62.218 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: 2 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -701.143920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.143920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.143920 (E_RNA) where: Base-Base interactions energy: -409.122 where: short stacking energy: -197.889 Base-Backbone interact. energy: 3.396 local terms energy: -295.418163 where: bonds (distance) C4'-P energy: -74.769 bonds (distance) P-C4' energy: -97.717 flat angles C4'-P-C4' energy: -51.482 flat angles P-C4'-P energy: -47.598 tors. eta vs tors. theta energy: -23.852 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: 6 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1845.710700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1845.710700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1845.710700 (E_RNA) where: Base-Base interactions energy: -1316.505 where: short stacking energy: -545.704 Base-Backbone interact. energy: -0.721 local terms energy: -528.484783 where: bonds (distance) C4'-P energy: -83.437 bonds (distance) P-C4' energy: -104.252 flat angles C4'-P-C4' energy: -108.399 flat angles P-C4'-P energy: -82.172 tors. eta vs tors. theta energy: -150.225 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: 8 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1751.242625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.242625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.242625 (E_RNA) where: Base-Base interactions energy: -1210.091 where: short stacking energy: -509.555 Base-Backbone interact. energy: -1.535 local terms energy: -539.616936 where: bonds (distance) C4'-P energy: -94.237 bonds (distance) P-C4' energy: -106.194 flat angles C4'-P-C4' energy: -106.365 flat angles P-C4'-P energy: -80.342 tors. eta vs tors. theta energy: -152.479 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: 302 Temperature: 1.000000 Total energy: -1690.136981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.136981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.136981 (E_RNA) where: Base-Base interactions energy: -1166.507 where: short stacking energy: -506.078 Base-Backbone interact. energy: -2.547 local terms energy: -521.083061 where: bonds (distance) C4'-P energy: -86.561 bonds (distance) P-C4' energy: -102.649 flat angles C4'-P-C4' energy: -104.017 flat angles P-C4'-P energy: -76.917 tors. eta vs tors. theta energy: -150.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1629.859430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.859430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.859430 (E_RNA) where: Base-Base interactions energy: -1155.017 where: short stacking energy: -494.950 Base-Backbone interact. energy: 4.521 local terms energy: -479.362845 where: bonds (distance) C4'-P energy: -73.085 bonds (distance) P-C4' energy: -96.033 flat angles C4'-P-C4' energy: -115.547 flat angles P-C4'-P energy: -57.070 tors. eta vs tors. theta energy: -137.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -1533.184481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.184481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.184481 (E_RNA) where: Base-Base interactions energy: -1078.122 where: short stacking energy: -440.669 Base-Backbone interact. energy: 1.360 local terms energy: -456.423167 where: bonds (distance) C4'-P energy: -84.426 bonds (distance) P-C4' energy: -81.903 flat angles C4'-P-C4' energy: -99.061 flat angles P-C4'-P energy: -71.713 tors. eta vs tors. theta energy: -119.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -1408.264985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.264985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.264985 (E_RNA) where: Base-Base interactions energy: -975.203 where: short stacking energy: -406.719 Base-Backbone interact. energy: 3.240 local terms energy: -436.301154 where: bonds (distance) C4'-P energy: -80.538 bonds (distance) P-C4' energy: -93.875 flat angles C4'-P-C4' energy: -99.024 flat angles P-C4'-P energy: -54.768 tors. eta vs tors. theta energy: -108.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -1324.747448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.747448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.747448 (E_RNA) where: Base-Base interactions energy: -908.818 where: short stacking energy: -411.201 Base-Backbone interact. energy: 3.203 local terms energy: -419.132498 where: bonds (distance) C4'-P energy: -77.284 bonds (distance) P-C4' energy: -83.402 flat angles C4'-P-C4' energy: -95.257 flat angles P-C4'-P energy: -52.406 tors. eta vs tors. theta energy: -110.783 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: 1 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -1168.908562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.908562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.908562 (E_RNA) where: Base-Base interactions energy: -777.797 where: short stacking energy: -349.624 Base-Backbone interact. energy: 1.040 local terms energy: -392.151418 where: bonds (distance) C4'-P energy: -82.695 bonds (distance) P-C4' energy: -82.043 flat angles C4'-P-C4' energy: -96.217 flat angles P-C4'-P energy: -43.665 tors. eta vs tors. theta energy: -87.531 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: 10 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -959.553185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.553185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.553185 (E_RNA) where: Base-Base interactions energy: -600.929 where: short stacking energy: -283.688 Base-Backbone interact. energy: -0.024 local terms energy: -358.600297 where: bonds (distance) C4'-P energy: -81.601 bonds (distance) P-C4' energy: -70.951 flat angles C4'-P-C4' energy: -93.757 flat angles P-C4'-P energy: -57.985 tors. eta vs tors. theta energy: -54.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -708.853809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.853809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.853809 (E_RNA) where: Base-Base interactions energy: -434.581 where: short stacking energy: -214.327 Base-Backbone interact. energy: -2.241 local terms energy: -272.031951 where: bonds (distance) C4'-P energy: -62.528 bonds (distance) P-C4' energy: -83.149 flat angles C4'-P-C4' energy: -65.639 flat angles P-C4'-P energy: -36.970 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: 1, replica: 6 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1840.908367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1840.908367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1840.908367 (E_RNA) where: Base-Base interactions energy: -1297.840 where: short stacking energy: -533.096 Base-Backbone interact. energy: -2.495 local terms energy: -540.573321 where: bonds (distance) C4'-P energy: -100.300 bonds (distance) P-C4' energy: -94.898 flat angles C4'-P-C4' energy: -118.112 flat angles P-C4'-P energy: -75.092 tors. eta vs tors. theta energy: -152.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1752.813737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.813737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.813737 (E_RNA) where: Base-Base interactions energy: -1255.158 where: short stacking energy: -531.535 Base-Backbone interact. energy: -1.397 local terms energy: -496.258494 where: bonds (distance) C4'-P energy: -83.036 bonds (distance) P-C4' energy: -83.706 flat angles C4'-P-C4' energy: -108.341 flat angles P-C4'-P energy: -69.800 tors. eta vs tors. theta energy: -151.376 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: 5 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1699.480552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.480552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.480552 (E_RNA) where: Base-Base interactions energy: -1182.153 where: short stacking energy: -502.327 Base-Backbone interact. energy: 0.522 local terms energy: -517.848904 where: bonds (distance) C4'-P energy: -103.162 bonds (distance) P-C4' energy: -93.962 flat angles C4'-P-C4' energy: -106.454 flat angles P-C4'-P energy: -68.916 tors. eta vs tors. theta energy: -145.355 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: 303 Temperature: 1.050000 Total energy: -1654.534542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.534542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.534542 (E_RNA) where: Base-Base interactions energy: -1161.095 where: short stacking energy: -495.405 Base-Backbone interact. energy: -3.841 local terms energy: -489.598836 where: bonds (distance) C4'-P energy: -83.193 bonds (distance) P-C4' energy: -96.092 flat angles C4'-P-C4' energy: -106.365 flat angles P-C4'-P energy: -61.669 tors. eta vs tors. theta energy: -142.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -1525.699385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.699385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.699385 (E_RNA) where: Base-Base interactions energy: -1088.054 where: short stacking energy: -464.829 Base-Backbone interact. energy: -0.606 local terms energy: -437.039552 where: bonds (distance) C4'-P energy: -72.470 bonds (distance) P-C4' energy: -74.721 flat angles C4'-P-C4' energy: -102.572 flat angles P-C4'-P energy: -60.292 tors. eta vs tors. theta energy: -126.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -1388.371223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.371223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.371223 (E_RNA) where: Base-Base interactions energy: -956.880 where: short stacking energy: -391.599 Base-Backbone interact. energy: -3.341 local terms energy: -428.149544 where: bonds (distance) C4'-P energy: -80.696 bonds (distance) P-C4' energy: -91.808 flat angles C4'-P-C4' energy: -89.174 flat angles P-C4'-P energy: -62.466 tors. eta vs tors. theta energy: -104.005 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: 9 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -1293.652586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.652586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.652586 (E_RNA) where: Base-Base interactions energy: -872.130 where: short stacking energy: -405.857 Base-Backbone interact. energy: 1.173 local terms energy: -422.695551 where: bonds (distance) C4'-P energy: -82.054 bonds (distance) P-C4' energy: -82.716 flat angles C4'-P-C4' energy: -87.800 flat angles P-C4'-P energy: -62.229 tors. eta vs tors. theta energy: -107.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -1160.170193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.170193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.170193 (E_RNA) where: Base-Base interactions energy: -773.574 where: short stacking energy: -354.912 Base-Backbone interact. energy: -1.649 local terms energy: -384.947222 where: bonds (distance) C4'-P energy: -83.045 bonds (distance) P-C4' energy: -83.057 flat angles C4'-P-C4' energy: -84.042 flat angles P-C4'-P energy: -66.944 tors. eta vs tors. theta energy: -67.859 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: 10 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -938.494805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.494805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.494805 (E_RNA) where: Base-Base interactions energy: -604.223 where: short stacking energy: -270.414 Base-Backbone interact. energy: -2.277 local terms energy: -331.994807 where: bonds (distance) C4'-P energy: -76.076 bonds (distance) P-C4' energy: -86.010 flat angles C4'-P-C4' energy: -70.367 flat angles P-C4'-P energy: -43.001 tors. eta vs tors. theta energy: -56.541 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: 10, replica: 2 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -597.920604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.920604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.920604 (E_RNA) where: Base-Base interactions energy: -317.521 where: short stacking energy: -196.509 Base-Backbone interact. energy: -1.063 local terms energy: -279.337486 where: bonds (distance) C4'-P energy: -62.720 bonds (distance) P-C4' energy: -88.671 flat angles C4'-P-C4' energy: -69.631 flat angles P-C4'-P energy: -31.916 tors. eta vs tors. theta energy: -26.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1839.478770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1839.478770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1839.478770 (E_RNA) where: Base-Base interactions energy: -1302.899 where: short stacking energy: -540.495 Base-Backbone interact. energy: -3.005 local terms energy: -533.574745 where: bonds (distance) C4'-P energy: -102.213 bonds (distance) P-C4' energy: -92.043 flat angles C4'-P-C4' energy: -113.390 flat angles P-C4'-P energy: -78.358 tors. eta vs tors. theta energy: -147.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1791.034540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.034540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.034540 (E_RNA) where: Base-Base interactions energy: -1244.621 where: short stacking energy: -547.037 Base-Backbone interact. energy: -1.344 local terms energy: -545.069246 where: bonds (distance) C4'-P energy: -94.202 bonds (distance) P-C4' energy: -104.541 flat angles C4'-P-C4' energy: -113.355 flat angles P-C4'-P energy: -78.673 tors. eta vs tors. theta energy: -154.298 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: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1720.784227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.784227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.784227 (E_RNA) where: Base-Base interactions energy: -1206.390 where: short stacking energy: -514.029 Base-Backbone interact. energy: -2.314 local terms energy: -512.080265 where: bonds (distance) C4'-P energy: -86.471 bonds (distance) P-C4' energy: -102.891 flat angles C4'-P-C4' energy: -99.159 flat angles P-C4'-P energy: -75.550 tors. eta vs tors. theta energy: -148.009 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: 4, replica: 3 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1622.983451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.983451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.983451 (E_RNA) where: Base-Base interactions energy: -1137.148 where: short stacking energy: -482.015 Base-Backbone interact. energy: -0.177 local terms energy: -485.658000 where: bonds (distance) C4'-P energy: -86.224 bonds (distance) P-C4' energy: -92.821 flat angles C4'-P-C4' energy: -101.191 flat angles P-C4'-P energy: -63.463 tors. eta vs tors. theta energy: -141.959 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: 5, replica: 7 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -1530.867126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.867126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.867126 (E_RNA) where: Base-Base interactions energy: -1058.191 where: short stacking energy: -474.436 Base-Backbone interact. energy: -3.586 local terms energy: -469.089832 where: bonds (distance) C4'-P energy: -77.086 bonds (distance) P-C4' energy: -82.844 flat angles C4'-P-C4' energy: -112.242 flat angles P-C4'-P energy: -68.269 tors. eta vs tors. theta energy: -128.650 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: 6, replica: 4 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -1404.420479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.420479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.420479 (E_RNA) where: Base-Base interactions energy: -978.141 where: short stacking energy: -420.031 Base-Backbone interact. energy: -1.720 local terms energy: -424.560179 where: bonds (distance) C4'-P energy: -88.467 bonds (distance) P-C4' energy: -80.713 flat angles C4'-P-C4' energy: -84.298 flat angles P-C4'-P energy: -58.163 tors. eta vs tors. theta energy: -112.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -1306.808969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.808969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.808969 (E_RNA) where: Base-Base interactions energy: -893.017 where: short stacking energy: -373.005 Base-Backbone interact. energy: 0.066 local terms energy: -413.857528 where: bonds (distance) C4'-P energy: -84.253 bonds (distance) P-C4' energy: -79.817 flat angles C4'-P-C4' energy: -93.756 flat angles P-C4'-P energy: -65.398 tors. eta vs tors. theta energy: -90.634 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: 1 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -1165.550991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.550991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.550991 (E_RNA) where: Base-Base interactions energy: -773.457 where: short stacking energy: -339.177 Base-Backbone interact. energy: 0.235 local terms energy: -392.328170 where: bonds (distance) C4'-P energy: -83.771 bonds (distance) P-C4' energy: -89.601 flat angles C4'-P-C4' energy: -84.609 flat angles P-C4'-P energy: -56.247 tors. eta vs tors. theta energy: -78.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -962.188064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.188064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.188064 (E_RNA) where: Base-Base interactions energy: -635.275 where: short stacking energy: -274.983 Base-Backbone interact. energy: 3.421 local terms energy: -330.333472 where: bonds (distance) C4'-P energy: -94.070 bonds (distance) P-C4' energy: -85.421 flat angles C4'-P-C4' energy: -60.224 flat angles P-C4'-P energy: -37.186 tors. eta vs tors. theta energy: -53.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -587.753476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.753476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.753476 (E_RNA) where: Base-Base interactions energy: -318.286 where: short stacking energy: -158.953 Base-Backbone interact. energy: 0.393 local terms energy: -269.859935 where: bonds (distance) C4'-P energy: -77.593 bonds (distance) P-C4' energy: -83.948 flat angles C4'-P-C4' energy: -68.620 flat angles P-C4'-P energy: -42.827 tors. eta vs tors. theta energy: 3.128 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: 6 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1833.367241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1833.367241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1833.367241 (E_RNA) where: Base-Base interactions energy: -1300.821 where: short stacking energy: -530.449 Base-Backbone interact. energy: -3.395 local terms energy: -529.151047 where: bonds (distance) C4'-P energy: -102.874 bonds (distance) P-C4' energy: -108.729 flat angles C4'-P-C4' energy: -103.096 flat angles P-C4'-P energy: -63.763 tors. eta vs tors. theta energy: -150.689 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: 8 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1771.596779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.596779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.596779 (E_RNA) where: Base-Base interactions energy: -1240.630 where: short stacking energy: -520.236 Base-Backbone interact. energy: -1.467 local terms energy: -529.500108 where: bonds (distance) C4'-P energy: -100.607 bonds (distance) P-C4' energy: -97.193 flat angles C4'-P-C4' energy: -104.185 flat angles P-C4'-P energy: -74.632 tors. eta vs tors. theta energy: -152.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1708.401284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.401284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.401284 (E_RNA) where: Base-Base interactions energy: -1199.998 where: short stacking energy: -507.891 Base-Backbone interact. energy: 0.531 local terms energy: -508.934951 where: bonds (distance) C4'-P energy: -98.579 bonds (distance) P-C4' energy: -80.794 flat angles C4'-P-C4' energy: -111.255 flat angles P-C4'-P energy: -66.086 tors. eta vs tors. theta energy: -152.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1632.950240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1632.950240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1632.950240 (E_RNA) where: Base-Base interactions energy: -1123.996 where: short stacking energy: -481.112 Base-Backbone interact. energy: -5.372 local terms energy: -503.582077 where: bonds (distance) C4'-P energy: -80.780 bonds (distance) P-C4' energy: -103.230 flat angles C4'-P-C4' energy: -101.878 flat angles P-C4'-P energy: -78.047 tors. eta vs tors. theta energy: -139.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -1556.890451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.890451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.890451 (E_RNA) where: Base-Base interactions energy: -1090.460 where: short stacking energy: -451.875 Base-Backbone interact. energy: 3.782 local terms energy: -470.212540 where: bonds (distance) C4'-P energy: -70.178 bonds (distance) P-C4' energy: -91.048 flat angles C4'-P-C4' energy: -107.975 flat angles P-C4'-P energy: -72.892 tors. eta vs tors. theta energy: -128.121 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: 9 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -1383.696977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.696977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.696977 (E_RNA) where: Base-Base interactions energy: -955.349 where: short stacking energy: -402.785 Base-Backbone interact. energy: -2.997 local terms energy: -425.351060 where: bonds (distance) C4'-P energy: -83.368 bonds (distance) P-C4' energy: -79.857 flat angles C4'-P-C4' energy: -90.626 flat angles P-C4'-P energy: -67.221 tors. eta vs tors. theta energy: -104.279 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: 4 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -1349.694218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.694218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.694218 (E_RNA) where: Base-Base interactions energy: -940.799 where: short stacking energy: -401.687 Base-Backbone interact. energy: -1.802 local terms energy: -407.092774 where: bonds (distance) C4'-P energy: -77.336 bonds (distance) P-C4' energy: -72.379 flat angles C4'-P-C4' energy: -90.303 flat angles P-C4'-P energy: -59.317 tors. eta vs tors. theta energy: -107.757 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: 8, replica: 1 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -1106.252429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.252429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.252429 (E_RNA) where: Base-Base interactions energy: -699.450 where: short stacking energy: -320.799 Base-Backbone interact. energy: -0.928 local terms energy: -405.874022 where: bonds (distance) C4'-P energy: -87.749 bonds (distance) P-C4' energy: -88.175 flat angles C4'-P-C4' energy: -102.776 flat angles P-C4'-P energy: -58.937 tors. eta vs tors. theta energy: -68.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -1002.737993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.737993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.737993 (E_RNA) where: Base-Base interactions energy: -647.352 where: short stacking energy: -312.820 Base-Backbone interact. energy: 2.827 local terms energy: -358.213328 where: bonds (distance) C4'-P energy: -88.481 bonds (distance) P-C4' energy: -83.261 flat angles C4'-P-C4' energy: -87.952 flat angles P-C4'-P energy: -41.525 tors. eta vs tors. theta energy: -56.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -622.294189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.294189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.294189 (E_RNA) where: Base-Base interactions energy: -352.713 where: short stacking energy: -198.826 Base-Backbone interact. energy: -3.332 local terms energy: -266.249357 where: bonds (distance) C4'-P energy: -82.679 bonds (distance) P-C4' energy: -77.942 flat angles C4'-P-C4' energy: -73.837 flat angles P-C4'-P energy: -24.422 tors. eta vs tors. theta energy: -7.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1848.456056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.456056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.456056 (E_RNA) where: Base-Base interactions energy: -1307.562 where: short stacking energy: -531.187 Base-Backbone interact. energy: -3.269 local terms energy: -537.625445 where: bonds (distance) C4'-P energy: -100.398 bonds (distance) P-C4' energy: -98.324 flat angles C4'-P-C4' energy: -113.570 flat angles P-C4'-P energy: -77.451 tors. eta vs tors. theta energy: -147.883 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: 8 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1768.021443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.021443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.021443 (E_RNA) where: Base-Base interactions energy: -1218.814 where: short stacking energy: -543.422 Base-Backbone interact. energy: -1.682 local terms energy: -547.525118 where: bonds (distance) C4'-P energy: -97.980 bonds (distance) P-C4' energy: -94.817 flat angles C4'-P-C4' energy: -107.667 flat angles P-C4'-P energy: -84.520 tors. eta vs tors. theta energy: -162.541 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: 5 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1714.440578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.440578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.440578 (E_RNA) where: Base-Base interactions energy: -1194.607 where: short stacking energy: -517.824 Base-Backbone interact. energy: -1.120 local terms energy: -518.714006 where: bonds (distance) C4'-P energy: -86.700 bonds (distance) P-C4' energy: -101.150 flat angles C4'-P-C4' energy: -108.882 flat angles P-C4'-P energy: -73.790 tors. eta vs tors. theta energy: -148.191 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: 3 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1639.512446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.512446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.512446 (E_RNA) where: Base-Base interactions energy: -1162.672 where: short stacking energy: -495.959 Base-Backbone interact. energy: -1.082 local terms energy: -475.758660 where: bonds (distance) C4'-P energy: -84.949 bonds (distance) P-C4' energy: -77.984 flat angles C4'-P-C4' energy: -103.636 flat angles P-C4'-P energy: -77.482 tors. eta vs tors. theta energy: -131.707 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: 306 Temperature: 1.100000 Total energy: -1516.574684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.574684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.574684 (E_RNA) where: Base-Base interactions energy: -1034.373 where: short stacking energy: -414.802 Base-Backbone interact. energy: -5.981 local terms energy: -476.221210 where: bonds (distance) C4'-P energy: -98.647 bonds (distance) P-C4' energy: -104.308 flat angles C4'-P-C4' energy: -95.605 flat angles P-C4'-P energy: -72.074 tors. eta vs tors. theta energy: -105.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -1351.417936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.417936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.417936 (E_RNA) where: Base-Base interactions energy: -932.875 where: short stacking energy: -404.039 Base-Backbone interact. energy: 0.394 local terms energy: -418.936470 where: bonds (distance) C4'-P energy: -74.152 bonds (distance) P-C4' energy: -89.671 flat angles C4'-P-C4' energy: -97.860 flat angles P-C4'-P energy: -59.721 tors. eta vs tors. theta energy: -97.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -1350.154494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.154494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.154494 (E_RNA) where: Base-Base interactions energy: -934.448 where: short stacking energy: -439.036 Base-Backbone interact. energy: -0.904 local terms energy: -414.802447 where: bonds (distance) C4'-P energy: -81.657 bonds (distance) P-C4' energy: -78.724 flat angles C4'-P-C4' energy: -85.561 flat angles P-C4'-P energy: -56.988 tors. eta vs tors. theta energy: -111.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -1122.612930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.612930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.612930 (E_RNA) where: Base-Base interactions energy: -733.234 where: short stacking energy: -352.537 Base-Backbone interact. energy: -1.627 local terms energy: -387.751374 where: bonds (distance) C4'-P energy: -82.477 bonds (distance) P-C4' energy: -79.559 flat angles C4'-P-C4' energy: -96.172 flat angles P-C4'-P energy: -47.240 tors. eta vs tors. theta energy: -82.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -925.963929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.963929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.963929 (E_RNA) where: Base-Base interactions energy: -593.493 where: short stacking energy: -292.900 Base-Backbone interact. energy: -2.949 local terms energy: -329.521153 where: bonds (distance) C4'-P energy: -58.749 bonds (distance) P-C4' energy: -80.051 flat angles C4'-P-C4' energy: -86.169 flat angles P-C4'-P energy: -48.119 tors. eta vs tors. theta energy: -56.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -558.560818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.560818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.560818 (E_RNA) where: Base-Base interactions energy: -297.000 where: short stacking energy: -139.863 Base-Backbone interact. energy: 3.351 local terms energy: -264.911577 where: bonds (distance) C4'-P energy: -77.783 bonds (distance) P-C4' energy: -76.787 flat angles C4'-P-C4' energy: -70.428 flat angles P-C4'-P energy: -43.191 tors. eta vs tors. theta energy: 3.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1865.419899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.419899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.419899 (E_RNA) where: Base-Base interactions energy: -1333.508 where: short stacking energy: -537.832 Base-Backbone interact. energy: -1.535 local terms energy: -530.377369 where: bonds (distance) C4'-P energy: -98.178 bonds (distance) P-C4' energy: -97.990 flat angles C4'-P-C4' energy: -110.691 flat angles P-C4'-P energy: -82.726 tors. eta vs tors. theta energy: -140.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1800.962305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1800.962305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1800.962305 (E_RNA) where: Base-Base interactions energy: -1243.764 where: short stacking energy: -543.717 Base-Backbone interact. energy: -2.018 local terms energy: -555.179799 where: bonds (distance) C4'-P energy: -101.449 bonds (distance) P-C4' energy: -98.312 flat angles C4'-P-C4' energy: -111.674 flat angles P-C4'-P energy: -84.954 tors. eta vs tors. theta energy: -158.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1710.726056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.726056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.726056 (E_RNA) where: Base-Base interactions energy: -1186.292 where: short stacking energy: -505.538 Base-Backbone interact. energy: -2.408 local terms energy: -522.026445 where: bonds (distance) C4'-P energy: -104.209 bonds (distance) P-C4' energy: -89.007 flat angles C4'-P-C4' energy: -109.108 flat angles P-C4'-P energy: -72.752 tors. eta vs tors. theta energy: -146.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1635.794517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1635.794517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1635.794517 (E_RNA) where: Base-Base interactions energy: -1148.026 where: short stacking energy: -488.121 Base-Backbone interact. energy: -1.743 local terms energy: -486.025346 where: bonds (distance) C4'-P energy: -103.568 bonds (distance) P-C4' energy: -84.073 flat angles C4'-P-C4' energy: -108.039 flat angles P-C4'-P energy: -50.484 tors. eta vs tors. theta energy: -139.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -1492.579421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.579421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.579421 (E_RNA) where: Base-Base interactions energy: -1040.291 where: short stacking energy: -426.990 Base-Backbone interact. energy: -2.589 local terms energy: -449.699160 where: bonds (distance) C4'-P energy: -89.305 bonds (distance) P-C4' energy: -86.775 flat angles C4'-P-C4' energy: -102.888 flat angles P-C4'-P energy: -62.946 tors. eta vs tors. theta energy: -107.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -1350.788698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.788698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.788698 (E_RNA) where: Base-Base interactions energy: -904.322 where: short stacking energy: -382.871 Base-Backbone interact. energy: -2.270 local terms energy: -444.197003 where: bonds (distance) C4'-P energy: -83.728 bonds (distance) P-C4' energy: -91.603 flat angles C4'-P-C4' energy: -101.364 flat angles P-C4'-P energy: -66.563 tors. eta vs tors. theta energy: -100.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -1394.004212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.004212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.004212 (E_RNA) where: Base-Base interactions energy: -948.348 where: short stacking energy: -417.627 Base-Backbone interact. energy: -1.233 local terms energy: -444.422493 where: bonds (distance) C4'-P energy: -83.004 bonds (distance) P-C4' energy: -82.593 flat angles C4'-P-C4' energy: -89.383 flat angles P-C4'-P energy: -73.026 tors. eta vs tors. theta energy: -116.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -1117.525620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.525620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.525620 (E_RNA) where: Base-Base interactions energy: -729.553 where: short stacking energy: -335.893 Base-Backbone interact. energy: 6.641 local terms energy: -394.613912 where: bonds (distance) C4'-P energy: -84.437 bonds (distance) P-C4' energy: -89.695 flat angles C4'-P-C4' energy: -88.234 flat angles P-C4'-P energy: -53.294 tors. eta vs tors. theta energy: -78.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -947.991806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.991806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.991806 (E_RNA) where: Base-Base interactions energy: -625.208 where: short stacking energy: -285.368 Base-Backbone interact. energy: 0.950 local terms energy: -323.733726 where: bonds (distance) C4'-P energy: -84.592 bonds (distance) P-C4' energy: -79.099 flat angles C4'-P-C4' energy: -74.478 flat angles P-C4'-P energy: -32.290 tors. eta vs tors. theta energy: -53.275 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: 2 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -607.894033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.894033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.894033 (E_RNA) where: Base-Base interactions energy: -338.363 where: short stacking energy: -159.620 Base-Backbone interact. energy: -1.816 local terms energy: -267.714800 where: bonds (distance) C4'-P energy: -85.695 bonds (distance) P-C4' energy: -81.520 flat angles C4'-P-C4' energy: -81.662 flat angles P-C4'-P energy: -26.966 tors. eta vs tors. theta energy: 8.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1858.249271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.249271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.249271 (E_RNA) where: Base-Base interactions energy: -1318.782 where: short stacking energy: -547.059 Base-Backbone interact. energy: 0.795 local terms energy: -540.262260 where: bonds (distance) C4'-P energy: -91.672 bonds (distance) P-C4' energy: -106.362 flat angles C4'-P-C4' energy: -113.750 flat angles P-C4'-P energy: -80.989 tors. eta vs tors. theta energy: -147.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1769.549459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.549459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.549459 (E_RNA) where: Base-Base interactions energy: -1239.519 where: short stacking energy: -523.316 Base-Backbone interact. energy: -3.911 local terms energy: -526.119611 where: bonds (distance) C4'-P energy: -97.881 bonds (distance) P-C4' energy: -98.473 flat angles C4'-P-C4' energy: -108.250 flat angles P-C4'-P energy: -72.195 tors. eta vs tors. theta energy: -149.321 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: 3 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1661.799561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.799561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.799561 (E_RNA) where: Base-Base interactions energy: -1164.016 where: short stacking energy: -493.633 Base-Backbone interact. energy: -1.541 local terms energy: -496.242583 where: bonds (distance) C4'-P energy: -92.801 bonds (distance) P-C4' energy: -91.630 flat angles C4'-P-C4' energy: -100.604 flat angles P-C4'-P energy: -72.420 tors. eta vs tors. theta energy: -138.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1636.155466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.155466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.155466 (E_RNA) where: Base-Base interactions energy: -1169.455 where: short stacking energy: -491.331 Base-Backbone interact. energy: -0.836 local terms energy: -465.863568 where: bonds (distance) C4'-P energy: -79.989 bonds (distance) P-C4' energy: -100.372 flat angles C4'-P-C4' energy: -83.862 flat angles P-C4'-P energy: -65.827 tors. eta vs tors. theta energy: -135.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -1506.065193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.065193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.065193 (E_RNA) where: Base-Base interactions energy: -1050.554 where: short stacking energy: -440.714 Base-Backbone interact. energy: -2.470 local terms energy: -453.041222 where: bonds (distance) C4'-P energy: -84.020 bonds (distance) P-C4' energy: -97.466 flat angles C4'-P-C4' energy: -95.551 flat angles P-C4'-P energy: -65.671 tors. eta vs tors. theta energy: -110.333 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: 6, replica: 9 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -1329.694454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.694454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.694454 (E_RNA) where: Base-Base interactions energy: -891.202 where: short stacking energy: -397.462 Base-Backbone interact. energy: -1.654 local terms energy: -436.838670 where: bonds (distance) C4'-P energy: -77.384 bonds (distance) P-C4' energy: -90.994 flat angles C4'-P-C4' energy: -99.713 flat angles P-C4'-P energy: -61.567 tors. eta vs tors. theta energy: -107.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -1193.219683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.219683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.219683 (E_RNA) where: Base-Base interactions energy: -788.062 where: short stacking energy: -359.472 Base-Backbone interact. energy: -0.934 local terms energy: -404.223351 where: bonds (distance) C4'-P energy: -89.940 bonds (distance) P-C4' energy: -82.207 flat angles C4'-P-C4' energy: -89.915 flat angles P-C4'-P energy: -57.807 tors. eta vs tors. theta energy: -84.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -1275.981412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.981412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.981412 (E_RNA) where: Base-Base interactions energy: -843.912 where: short stacking energy: -357.976 Base-Backbone interact. energy: 1.842 local terms energy: -433.911612 where: bonds (distance) C4'-P energy: -91.575 bonds (distance) P-C4' energy: -82.608 flat angles C4'-P-C4' energy: -95.281 flat angles P-C4'-P energy: -59.797 tors. eta vs tors. theta energy: -104.651 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: 308 Temperature: 1.300000 Total energy: -984.265623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.265623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.265623 (E_RNA) where: Base-Base interactions energy: -667.043 where: short stacking energy: -314.907 Base-Backbone interact. energy: -0.384 local terms energy: -316.838739 where: bonds (distance) C4'-P energy: -73.913 bonds (distance) P-C4' energy: -74.416 flat angles C4'-P-C4' energy: -81.229 flat angles P-C4'-P energy: -38.367 tors. eta vs tors. theta energy: -48.913 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: 2 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -571.146026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.146026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.146026 (E_RNA) where: Base-Base interactions energy: -306.597 where: short stacking energy: -174.472 Base-Backbone interact. energy: 0.303 local terms energy: -264.851357 where: bonds (distance) C4'-P energy: -75.828 bonds (distance) P-C4' energy: -82.258 flat angles C4'-P-C4' energy: -68.090 flat angles P-C4'-P energy: -40.877 tors. eta vs tors. theta energy: 2.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1871.320552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.320552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.320552 (E_RNA) where: Base-Base interactions energy: -1323.802 where: short stacking energy: -555.021 Base-Backbone interact. energy: -2.396 local terms energy: -545.122727 where: bonds (distance) C4'-P energy: -98.669 bonds (distance) P-C4' energy: -108.697 flat angles C4'-P-C4' energy: -114.003 flat angles P-C4'-P energy: -75.736 tors. eta vs tors. theta energy: -148.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1792.217256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.217256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.217256 (E_RNA) where: Base-Base interactions energy: -1251.478 where: short stacking energy: -538.135 Base-Backbone interact. energy: -2.795 local terms energy: -537.944314 where: bonds (distance) C4'-P energy: -96.841 bonds (distance) P-C4' energy: -86.468 flat angles C4'-P-C4' energy: -115.292 flat angles P-C4'-P energy: -75.463 tors. eta vs tors. theta energy: -163.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1669.807720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.807720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.807720 (E_RNA) where: Base-Base interactions energy: -1170.847 where: short stacking energy: -487.001 Base-Backbone interact. energy: -3.202 local terms energy: -495.758675 where: bonds (distance) C4'-P energy: -77.172 bonds (distance) P-C4' energy: -99.440 flat angles C4'-P-C4' energy: -103.673 flat angles P-C4'-P energy: -82.863 tors. eta vs tors. theta energy: -132.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1661.658159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.658159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.658159 (E_RNA) where: Base-Base interactions energy: -1164.404 where: short stacking energy: -506.247 Base-Backbone interact. energy: -0.767 local terms energy: -496.487647 where: bonds (distance) C4'-P energy: -86.961 bonds (distance) P-C4' energy: -85.828 flat angles C4'-P-C4' energy: -106.831 flat angles P-C4'-P energy: -65.226 tors. eta vs tors. theta energy: -151.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -1535.105173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.105173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.105173 (E_RNA) where: Base-Base interactions energy: -1059.635 where: short stacking energy: -438.643 Base-Backbone interact. energy: -1.003 local terms energy: -474.467099 where: bonds (distance) C4'-P energy: -94.312 bonds (distance) P-C4' energy: -94.287 flat angles C4'-P-C4' energy: -101.619 flat angles P-C4'-P energy: -60.996 tors. eta vs tors. theta energy: -123.253 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: 6, replica: 9 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -1305.467088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.467088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.467088 (E_RNA) where: Base-Base interactions energy: -882.513 where: short stacking energy: -396.196 Base-Backbone interact. energy: -1.090 local terms energy: -421.863583 where: bonds (distance) C4'-P energy: -97.050 bonds (distance) P-C4' energy: -77.197 flat angles C4'-P-C4' energy: -95.828 flat angles P-C4'-P energy: -52.495 tors. eta vs tors. theta energy: -99.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -1170.708316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.708316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.708316 (E_RNA) where: Base-Base interactions energy: -791.707 where: short stacking energy: -347.773 Base-Backbone interact. energy: -2.079 local terms energy: -376.921691 where: bonds (distance) C4'-P energy: -91.653 bonds (distance) P-C4' energy: -64.297 flat angles C4'-P-C4' energy: -87.831 flat angles P-C4'-P energy: -53.400 tors. eta vs tors. theta energy: -79.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -1225.528471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.528471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.528471 (E_RNA) where: Base-Base interactions energy: -824.133 where: short stacking energy: -351.639 Base-Backbone interact. energy: -1.176 local terms energy: -400.219850 where: bonds (distance) C4'-P energy: -77.199 bonds (distance) P-C4' energy: -78.187 flat angles C4'-P-C4' energy: -94.934 flat angles P-C4'-P energy: -51.078 tors. eta vs tors. theta energy: -98.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -951.952741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.952741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.952741 (E_RNA) where: Base-Base interactions energy: -607.989 where: short stacking energy: -258.678 Base-Backbone interact. energy: 3.623 local terms energy: -347.587330 where: bonds (distance) C4'-P energy: -85.465 bonds (distance) P-C4' energy: -94.139 flat angles C4'-P-C4' energy: -65.360 flat angles P-C4'-P energy: -52.820 tors. eta vs tors. theta energy: -49.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -520.465800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.465800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.465800 (E_RNA) where: Base-Base interactions energy: -245.397 where: short stacking energy: -139.439 Base-Backbone interact. energy: 2.332 local terms energy: -277.400771 where: bonds (distance) C4'-P energy: -75.037 bonds (distance) P-C4' energy: -82.793 flat angles C4'-P-C4' energy: -78.179 flat angles P-C4'-P energy: -41.120 tors. eta vs tors. theta energy: -0.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1868.566214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.566214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.566214 (E_RNA) where: Base-Base interactions energy: -1340.006 where: short stacking energy: -546.174 Base-Backbone interact. energy: -1.827 local terms energy: -526.733072 where: bonds (distance) C4'-P energy: -87.617 bonds (distance) P-C4' energy: -101.369 flat angles C4'-P-C4' energy: -106.950 flat angles P-C4'-P energy: -76.986 tors. eta vs tors. theta energy: -153.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1790.941961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.941961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.941961 (E_RNA) where: Base-Base interactions energy: -1236.102 where: short stacking energy: -544.487 Base-Backbone interact. energy: -0.115 local terms energy: -554.724440 where: bonds (distance) C4'-P energy: -102.678 bonds (distance) P-C4' energy: -94.944 flat angles C4'-P-C4' energy: -116.161 flat angles P-C4'-P energy: -78.604 tors. eta vs tors. theta energy: -162.338 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: 3 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -1674.616503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1674.616503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1674.616503 (E_RNA) where: Base-Base interactions energy: -1185.130 where: short stacking energy: -514.671 Base-Backbone interact. energy: -0.254 local terms energy: -489.231914 where: bonds (distance) C4'-P energy: -82.772 bonds (distance) P-C4' energy: -79.166 flat angles C4'-P-C4' energy: -109.387 flat angles P-C4'-P energy: -69.376 tors. eta vs tors. theta energy: -148.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1675.298755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.298755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.298755 (E_RNA) where: Base-Base interactions energy: -1182.465 where: short stacking energy: -499.360 Base-Backbone interact. energy: -1.558 local terms energy: -491.276214 where: bonds (distance) C4'-P energy: -88.410 bonds (distance) P-C4' energy: -84.189 flat angles C4'-P-C4' energy: -98.452 flat angles P-C4'-P energy: -73.384 tors. eta vs tors. theta energy: -146.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -1572.069450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.069450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.069450 (E_RNA) where: Base-Base interactions energy: -1127.152 where: short stacking energy: -479.586 Base-Backbone interact. energy: -2.798 local terms energy: -442.119365 where: bonds (distance) C4'-P energy: -95.276 bonds (distance) P-C4' energy: -76.719 flat angles C4'-P-C4' energy: -102.748 flat angles P-C4'-P energy: -54.132 tors. eta vs tors. theta energy: -113.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -1332.114701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.114701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.114701 (E_RNA) where: Base-Base interactions energy: -910.605 where: short stacking energy: -404.795 Base-Backbone interact. energy: -1.312 local terms energy: -420.197640 where: bonds (distance) C4'-P energy: -78.563 bonds (distance) P-C4' energy: -91.256 flat angles C4'-P-C4' energy: -87.918 flat angles P-C4'-P energy: -58.936 tors. eta vs tors. theta energy: -103.525 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: 4 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -1235.290554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.290554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.290554 (E_RNA) where: Base-Base interactions energy: -855.622 where: short stacking energy: -365.691 Base-Backbone interact. energy: 1.503 local terms energy: -381.171909 where: bonds (distance) C4'-P energy: -73.796 bonds (distance) P-C4' energy: -89.592 flat angles C4'-P-C4' energy: -76.523 flat angles P-C4'-P energy: -49.451 tors. eta vs tors. theta energy: -91.810 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: 1 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -1149.294591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.294591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.294591 (E_RNA) where: Base-Base interactions energy: -761.113 where: short stacking energy: -342.085 Base-Backbone interact. energy: -0.530 local terms energy: -387.651168 where: bonds (distance) C4'-P energy: -90.852 bonds (distance) P-C4' energy: -80.000 flat angles C4'-P-C4' energy: -92.719 flat angles P-C4'-P energy: -54.341 tors. eta vs tors. theta energy: -69.739 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: 9, replica: 10 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -978.720135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.720135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.720135 (E_RNA) where: Base-Base interactions energy: -629.934 where: short stacking energy: -263.985 Base-Backbone interact. energy: -1.736 local terms energy: -347.050247 where: bonds (distance) C4'-P energy: -92.067 bonds (distance) P-C4' energy: -90.821 flat angles C4'-P-C4' energy: -65.810 flat angles P-C4'-P energy: -51.294 tors. eta vs tors. theta energy: -47.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -498.271272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.271272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.271272 (E_RNA) where: Base-Base interactions energy: -217.178 where: short stacking energy: -142.320 Base-Backbone interact. energy: 2.922 local terms energy: -284.015036 where: bonds (distance) C4'-P energy: -86.542 bonds (distance) P-C4' energy: -81.811 flat angles C4'-P-C4' energy: -63.997 flat angles P-C4'-P energy: -56.236 tors. eta vs tors. theta energy: 4.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1859.321915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.321915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.321915 (E_RNA) where: Base-Base interactions energy: -1320.113 where: short stacking energy: -554.148 Base-Backbone interact. energy: -0.433 local terms energy: -538.775096 where: bonds (distance) C4'-P energy: -94.130 bonds (distance) P-C4' energy: -102.808 flat angles C4'-P-C4' energy: -112.535 flat angles P-C4'-P energy: -78.553 tors. eta vs tors. theta energy: -150.749 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: 8 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1749.623737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.623737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.623737 (E_RNA) where: Base-Base interactions energy: -1216.369 where: short stacking energy: -527.959 Base-Backbone interact. energy: -2.673 local terms energy: -530.581721 where: bonds (distance) C4'-P energy: -90.758 bonds (distance) P-C4' energy: -101.926 flat angles C4'-P-C4' energy: -109.730 flat angles P-C4'-P energy: -71.637 tors. eta vs tors. theta energy: -156.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1702.530329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.530329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.530329 (E_RNA) where: Base-Base interactions energy: -1180.797 where: short stacking energy: -512.784 Base-Backbone interact. energy: -4.300 local terms energy: -517.432795 where: bonds (distance) C4'-P energy: -97.613 bonds (distance) P-C4' energy: -100.058 flat angles C4'-P-C4' energy: -110.458 flat angles P-C4'-P energy: -72.717 tors. eta vs tors. theta energy: -136.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1683.362463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.362463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.362463 (E_RNA) where: Base-Base interactions energy: -1175.807 where: short stacking energy: -487.982 Base-Backbone interact. energy: -0.131 local terms energy: -507.423959 where: bonds (distance) C4'-P energy: -83.086 bonds (distance) P-C4' energy: -98.962 flat angles C4'-P-C4' energy: -118.988 flat angles P-C4'-P energy: -72.325 tors. eta vs tors. theta energy: -134.064 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: 7 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -1516.092645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.092645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.092645 (E_RNA) where: Base-Base interactions energy: -1060.117 where: short stacking energy: -408.163 Base-Backbone interact. energy: -0.888 local terms energy: -455.087548 where: bonds (distance) C4'-P energy: -75.250 bonds (distance) P-C4' energy: -104.253 flat angles C4'-P-C4' energy: -102.596 flat angles P-C4'-P energy: -69.020 tors. eta vs tors. theta energy: -103.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -1310.994906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.994906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.994906 (E_RNA) where: Base-Base interactions energy: -899.620 where: short stacking energy: -367.805 Base-Backbone interact. energy: -1.644 local terms energy: -409.731265 where: bonds (distance) C4'-P energy: -81.998 bonds (distance) P-C4' energy: -89.937 flat angles C4'-P-C4' energy: -90.559 flat angles P-C4'-P energy: -54.404 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: 7, replica: 4 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -1255.996167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.996167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.996167 (E_RNA) where: Base-Base interactions energy: -838.871 where: short stacking energy: -366.423 Base-Backbone interact. energy: 1.602 local terms energy: -418.726928 where: bonds (distance) C4'-P energy: -70.674 bonds (distance) P-C4' energy: -95.781 flat angles C4'-P-C4' energy: -89.261 flat angles P-C4'-P energy: -56.948 tors. eta vs tors. theta energy: -106.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -1144.751100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.751100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.751100 (E_RNA) where: Base-Base interactions energy: -778.786 where: short stacking energy: -316.154 Base-Backbone interact. energy: -1.047 local terms energy: -364.917188 where: bonds (distance) C4'-P energy: -67.082 bonds (distance) P-C4' energy: -82.445 flat angles C4'-P-C4' energy: -95.110 flat angles P-C4'-P energy: -50.555 tors. eta vs tors. theta energy: -69.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -1004.308762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.308762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.308762 (E_RNA) where: Base-Base interactions energy: -651.675 where: short stacking energy: -288.230 Base-Backbone interact. energy: -1.123 local terms energy: -351.510831 where: bonds (distance) C4'-P energy: -93.075 bonds (distance) P-C4' energy: -80.685 flat angles C4'-P-C4' energy: -84.334 flat angles P-C4'-P energy: -43.249 tors. eta vs tors. theta energy: -50.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -560.891897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.891897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.891897 (E_RNA) where: Base-Base interactions energy: -272.416 where: short stacking energy: -177.121 Base-Backbone interact. energy: 6.573 local terms energy: -295.049466 where: bonds (distance) C4'-P energy: -74.432 bonds (distance) P-C4' energy: -79.282 flat angles C4'-P-C4' energy: -79.467 flat angles P-C4'-P energy: -50.560 tors. eta vs tors. theta energy: -11.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1876.944705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.944705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.944705 (E_RNA) where: Base-Base interactions energy: -1346.206 where: short stacking energy: -553.008 Base-Backbone interact. energy: -2.777 local terms energy: -527.961654 where: bonds (distance) C4'-P energy: -91.272 bonds (distance) P-C4' energy: -98.328 flat angles C4'-P-C4' energy: -114.474 flat angles P-C4'-P energy: -66.948 tors. eta vs tors. theta energy: -156.939 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: 8 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1781.044856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.044856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.044856 (E_RNA) where: Base-Base interactions energy: -1252.175 where: short stacking energy: -525.682 Base-Backbone interact. energy: -2.543 local terms energy: -526.326919 where: bonds (distance) C4'-P energy: -91.764 bonds (distance) P-C4' energy: -88.108 flat angles C4'-P-C4' energy: -112.959 flat angles P-C4'-P energy: -84.759 tors. eta vs tors. theta energy: -148.737 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: 312 Temperature: 1.000000 Total energy: -1703.396208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.396208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.396208 (E_RNA) where: Base-Base interactions energy: -1202.498 where: short stacking energy: -534.478 Base-Backbone interact. energy: -1.381 local terms energy: -499.517303 where: bonds (distance) C4'-P energy: -88.424 bonds (distance) P-C4' energy: -95.342 flat angles C4'-P-C4' energy: -104.351 flat angles P-C4'-P energy: -64.219 tors. eta vs tors. theta energy: -147.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1690.213301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1690.213301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1690.213301 (E_RNA) where: Base-Base interactions energy: -1197.486 where: short stacking energy: -487.109 Base-Backbone interact. energy: -1.510 local terms energy: -491.216916 where: bonds (distance) C4'-P energy: -74.981 bonds (distance) P-C4' energy: -90.760 flat angles C4'-P-C4' energy: -111.267 flat angles P-C4'-P energy: -77.102 tors. eta vs tors. theta energy: -137.107 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: 312 Temperature: 1.100000 Total energy: -1521.166060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.166060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.166060 (E_RNA) where: Base-Base interactions energy: -1052.147 where: short stacking energy: -429.332 Base-Backbone interact. energy: -0.710 local terms energy: -468.308716 where: bonds (distance) C4'-P energy: -99.056 bonds (distance) P-C4' energy: -87.697 flat angles C4'-P-C4' energy: -103.641 flat angles P-C4'-P energy: -59.174 tors. eta vs tors. theta energy: -118.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -1310.999351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.999351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.999351 (E_RNA) where: Base-Base interactions energy: -896.906 where: short stacking energy: -402.748 Base-Backbone interact. energy: -1.201 local terms energy: -412.892473 where: bonds (distance) C4'-P energy: -77.753 bonds (distance) P-C4' energy: -96.495 flat angles C4'-P-C4' energy: -97.714 flat angles P-C4'-P energy: -56.051 tors. eta vs tors. theta energy: -84.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -1235.201572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.201572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.201572 (E_RNA) where: Base-Base interactions energy: -804.868 where: short stacking energy: -361.652 Base-Backbone interact. energy: 1.674 local terms energy: -432.007678 where: bonds (distance) C4'-P energy: -86.705 bonds (distance) P-C4' energy: -83.664 flat angles C4'-P-C4' energy: -103.107 flat angles P-C4'-P energy: -66.648 tors. eta vs tors. theta energy: -91.884 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: 4 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -1173.936956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.936956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.936956 (E_RNA) where: Base-Base interactions energy: -789.570 where: short stacking energy: -349.787 Base-Backbone interact. energy: -2.628 local terms energy: -381.739181 where: bonds (distance) C4'-P energy: -75.899 bonds (distance) P-C4' energy: -83.340 flat angles C4'-P-C4' energy: -80.254 flat angles P-C4'-P energy: -55.058 tors. eta vs tors. theta energy: -87.188 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: 9, replica: 10 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -944.211598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.211598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.211598 (E_RNA) where: Base-Base interactions energy: -591.218 where: short stacking energy: -299.112 Base-Backbone interact. energy: -0.522 local terms energy: -352.472045 where: bonds (distance) C4'-P energy: -82.272 bonds (distance) P-C4' energy: -87.700 flat angles C4'-P-C4' energy: -70.072 flat angles P-C4'-P energy: -48.846 tors. eta vs tors. theta energy: -63.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -497.503598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -497.503598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -497.503598 (E_RNA) where: Base-Base interactions energy: -230.722 where: short stacking energy: -151.016 Base-Backbone interact. energy: -1.720 local terms energy: -265.061618 where: bonds (distance) C4'-P energy: -72.251 bonds (distance) P-C4' energy: -74.900 flat angles C4'-P-C4' energy: -85.314 flat angles P-C4'-P energy: -41.843 tors. eta vs tors. theta energy: 9.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1842.647673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1842.647673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1842.647673 (E_RNA) where: Base-Base interactions energy: -1296.040 where: short stacking energy: -548.329 Base-Backbone interact. energy: -0.473 local terms energy: -546.134616 where: bonds (distance) C4'-P energy: -98.989 bonds (distance) P-C4' energy: -103.883 flat angles C4'-P-C4' energy: -123.260 flat angles P-C4'-P energy: -71.929 tors. eta vs tors. theta energy: -148.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1763.314561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.314561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.314561 (E_RNA) where: Base-Base interactions energy: -1204.887 where: short stacking energy: -508.275 Base-Backbone interact. energy: -2.893 local terms energy: -555.534574 where: bonds (distance) C4'-P energy: -99.580 bonds (distance) P-C4' energy: -100.315 flat angles C4'-P-C4' energy: -121.114 flat angles P-C4'-P energy: -83.041 tors. eta vs tors. theta energy: -151.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1667.859157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1667.859157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1667.859157 (E_RNA) where: Base-Base interactions energy: -1177.308 where: short stacking energy: -498.416 Base-Backbone interact. energy: 0.532 local terms energy: -491.082935 where: bonds (distance) C4'-P energy: -91.059 bonds (distance) P-C4' energy: -96.821 flat angles C4'-P-C4' energy: -102.879 flat angles P-C4'-P energy: -59.090 tors. eta vs tors. theta energy: -141.234 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: 5 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1692.851304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.851304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.851304 (E_RNA) where: Base-Base interactions energy: -1213.316 where: short stacking energy: -502.720 Base-Backbone interact. energy: -1.401 local terms energy: -478.134981 where: bonds (distance) C4'-P energy: -81.946 bonds (distance) P-C4' energy: -90.260 flat angles C4'-P-C4' energy: -110.531 flat angles P-C4'-P energy: -59.685 tors. eta vs tors. theta energy: -135.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -1506.344928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.344928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.344928 (E_RNA) where: Base-Base interactions energy: -1064.644 where: short stacking energy: -434.002 Base-Backbone interact. energy: -3.148 local terms energy: -438.552767 where: bonds (distance) C4'-P energy: -80.707 bonds (distance) P-C4' energy: -96.222 flat angles C4'-P-C4' energy: -97.987 flat angles P-C4'-P energy: -60.607 tors. eta vs tors. theta energy: -103.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -1325.521989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.521989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.521989 (E_RNA) where: Base-Base interactions energy: -904.813 where: short stacking energy: -386.887 Base-Backbone interact. energy: 5.333 local terms energy: -426.042050 where: bonds (distance) C4'-P energy: -79.906 bonds (distance) P-C4' energy: -93.684 flat angles C4'-P-C4' energy: -85.173 flat angles P-C4'-P energy: -61.363 tors. eta vs tors. theta energy: -105.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -1253.348074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.348074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.348074 (E_RNA) where: Base-Base interactions energy: -835.551 where: short stacking energy: -344.443 Base-Backbone interact. energy: -1.769 local terms energy: -416.028713 where: bonds (distance) C4'-P energy: -89.260 bonds (distance) P-C4' energy: -89.795 flat angles C4'-P-C4' energy: -103.044 flat angles P-C4'-P energy: -51.223 tors. eta vs tors. theta energy: -82.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -1184.391755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.391755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.391755 (E_RNA) where: Base-Base interactions energy: -796.560 where: short stacking energy: -313.962 Base-Backbone interact. energy: -1.223 local terms energy: -386.608166 where: bonds (distance) C4'-P energy: -90.678 bonds (distance) P-C4' energy: -89.181 flat angles C4'-P-C4' energy: -84.028 flat angles P-C4'-P energy: -57.848 tors. eta vs tors. theta energy: -64.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -984.485181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.485181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.485181 (E_RNA) where: Base-Base interactions energy: -615.569 where: short stacking energy: -270.478 Base-Backbone interact. energy: -1.823 local terms energy: -367.093352 where: bonds (distance) C4'-P energy: -86.583 bonds (distance) P-C4' energy: -85.271 flat angles C4'-P-C4' energy: -89.947 flat angles P-C4'-P energy: -56.265 tors. eta vs tors. theta energy: -49.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -541.297090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.297090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.297090 (E_RNA) where: Base-Base interactions energy: -272.173 where: short stacking energy: -166.222 Base-Backbone interact. energy: 2.457 local terms energy: -271.581414 where: bonds (distance) C4'-P energy: -80.504 bonds (distance) P-C4' energy: -82.895 flat angles C4'-P-C4' energy: -66.531 flat angles P-C4'-P energy: -28.294 tors. eta vs tors. theta energy: -13.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1870.440194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.440194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.440194 (E_RNA) where: Base-Base interactions energy: -1339.963 where: short stacking energy: -562.785 Base-Backbone interact. energy: -3.922 local terms energy: -526.555435 where: bonds (distance) C4'-P energy: -97.180 bonds (distance) P-C4' energy: -93.058 flat angles C4'-P-C4' energy: -111.262 flat angles P-C4'-P energy: -75.616 tors. eta vs tors. theta energy: -149.439 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: 2, replica: 8 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1746.279027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.279027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.279027 (E_RNA) where: Base-Base interactions energy: -1214.862 where: short stacking energy: -517.318 Base-Backbone interact. energy: 1.334 local terms energy: -532.751769 where: bonds (distance) C4'-P energy: -86.591 bonds (distance) P-C4' energy: -107.428 flat angles C4'-P-C4' energy: -111.679 flat angles P-C4'-P energy: -82.281 tors. eta vs tors. theta energy: -144.772 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: 5 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -1702.880547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.880547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.880547 (E_RNA) where: Base-Base interactions energy: -1203.336 where: short stacking energy: -488.460 Base-Backbone interact. energy: -3.039 local terms energy: -496.505207 where: bonds (distance) C4'-P energy: -100.815 bonds (distance) P-C4' energy: -100.739 flat angles C4'-P-C4' energy: -102.300 flat angles P-C4'-P energy: -68.198 tors. eta vs tors. theta energy: -124.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1629.376510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.376510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.376510 (E_RNA) where: Base-Base interactions energy: -1149.023 where: short stacking energy: -492.705 Base-Backbone interact. energy: -2.422 local terms energy: -477.931207 where: bonds (distance) C4'-P energy: -81.645 bonds (distance) P-C4' energy: -92.061 flat angles C4'-P-C4' energy: -92.009 flat angles P-C4'-P energy: -78.727 tors. eta vs tors. theta energy: -133.490 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: 314 Temperature: 1.100000 Total energy: -1523.057824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.057824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.057824 (E_RNA) where: Base-Base interactions energy: -1057.498 where: short stacking energy: -444.428 Base-Backbone interact. energy: -2.445 local terms energy: -463.114146 where: bonds (distance) C4'-P energy: -84.873 bonds (distance) P-C4' energy: -91.884 flat angles C4'-P-C4' energy: -95.752 flat angles P-C4'-P energy: -65.165 tors. eta vs tors. theta energy: -125.441 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: 6, replica: 9 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -1321.022376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.022376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.022376 (E_RNA) where: Base-Base interactions energy: -894.251 where: short stacking energy: -398.344 Base-Backbone interact. energy: 0.978 local terms energy: -427.749949 where: bonds (distance) C4'-P energy: -77.317 bonds (distance) P-C4' energy: -103.781 flat angles C4'-P-C4' energy: -94.460 flat angles P-C4'-P energy: -57.432 tors. eta vs tors. theta energy: -94.759 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: 4 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -1222.740514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1222.740514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1222.740514 (E_RNA) where: Base-Base interactions energy: -827.632 where: short stacking energy: -352.153 Base-Backbone interact. energy: -0.533 local terms energy: -394.575696 where: bonds (distance) C4'-P energy: -84.679 bonds (distance) P-C4' energy: -87.640 flat angles C4'-P-C4' energy: -95.233 flat angles P-C4'-P energy: -48.788 tors. eta vs tors. theta energy: -78.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -1187.085548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.085548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.085548 (E_RNA) where: Base-Base interactions energy: -802.743 where: short stacking energy: -361.724 Base-Backbone interact. energy: -0.496 local terms energy: -383.846918 where: bonds (distance) C4'-P energy: -69.028 bonds (distance) P-C4' energy: -82.393 flat angles C4'-P-C4' energy: -87.971 flat angles P-C4'-P energy: -57.112 tors. eta vs tors. theta energy: -87.344 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: 10 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -911.976461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.976461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.976461 (E_RNA) where: Base-Base interactions energy: -600.275 where: short stacking energy: -242.573 Base-Backbone interact. energy: -0.527 local terms energy: -311.174576 where: bonds (distance) C4'-P energy: -70.707 bonds (distance) P-C4' energy: -77.704 flat angles C4'-P-C4' energy: -92.071 flat angles P-C4'-P energy: -40.284 tors. eta vs tors. theta energy: -30.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -510.292708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.292708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.292708 (E_RNA) where: Base-Base interactions energy: -263.792 where: short stacking energy: -141.098 Base-Backbone interact. energy: 0.643 local terms energy: -247.143267 where: bonds (distance) C4'-P energy: -80.120 bonds (distance) P-C4' energy: -89.383 flat angles C4'-P-C4' energy: -53.764 flat angles P-C4'-P energy: -44.375 tors. eta vs tors. theta energy: 20.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1865.543702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.543702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.543702 (E_RNA) where: Base-Base interactions energy: -1316.072 where: short stacking energy: -548.900 Base-Backbone interact. energy: -2.553 local terms energy: -546.918022 where: bonds (distance) C4'-P energy: -98.151 bonds (distance) P-C4' energy: -101.319 flat angles C4'-P-C4' energy: -120.432 flat angles P-C4'-P energy: -77.866 tors. eta vs tors. theta energy: -149.150 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: 2, replica: 8 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1736.160870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.160870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.160870 (E_RNA) where: Base-Base interactions energy: -1219.384 where: short stacking energy: -511.172 Base-Backbone interact. energy: -2.888 local terms energy: -513.889000 where: bonds (distance) C4'-P energy: -91.851 bonds (distance) P-C4' energy: -87.452 flat angles C4'-P-C4' energy: -111.659 flat angles P-C4'-P energy: -78.118 tors. eta vs tors. theta energy: -144.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1710.025509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.025509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.025509 (E_RNA) where: Base-Base interactions energy: -1219.464 where: short stacking energy: -507.595 Base-Backbone interact. energy: -1.787 local terms energy: -488.774759 where: bonds (distance) C4'-P energy: -96.647 bonds (distance) P-C4' energy: -83.069 flat angles C4'-P-C4' energy: -105.441 flat angles P-C4'-P energy: -68.227 tors. eta vs tors. theta energy: -135.391 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: 3 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1628.244755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.244755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.244755 (E_RNA) where: Base-Base interactions energy: -1138.830 where: short stacking energy: -490.670 Base-Backbone interact. energy: -1.796 local terms energy: -487.618620 where: bonds (distance) C4'-P energy: -101.229 bonds (distance) P-C4' energy: -81.014 flat angles C4'-P-C4' energy: -100.324 flat angles P-C4'-P energy: -65.666 tors. eta vs tors. theta energy: -139.386 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: 315 Temperature: 1.100000 Total energy: -1522.722518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.722518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.722518 (E_RNA) where: Base-Base interactions energy: -1057.629 where: short stacking energy: -451.948 Base-Backbone interact. energy: -4.010 local terms energy: -461.083497 where: bonds (distance) C4'-P energy: -92.816 bonds (distance) P-C4' energy: -83.235 flat angles C4'-P-C4' energy: -97.216 flat angles P-C4'-P energy: -66.787 tors. eta vs tors. theta energy: -121.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -1320.671709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.671709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.671709 (E_RNA) where: Base-Base interactions energy: -878.373 where: short stacking energy: -369.971 Base-Backbone interact. energy: -0.991 local terms energy: -441.308095 where: bonds (distance) C4'-P energy: -87.239 bonds (distance) P-C4' energy: -84.660 flat angles C4'-P-C4' energy: -96.935 flat angles P-C4'-P energy: -79.980 tors. eta vs tors. theta energy: -92.494 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: 315 Temperature: 1.200000 Total energy: -1250.444856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1250.444856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1250.444856 (E_RNA) where: Base-Base interactions energy: -842.664 where: short stacking energy: -372.960 Base-Backbone interact. energy: 3.157 local terms energy: -410.938274 where: bonds (distance) C4'-P energy: -78.053 bonds (distance) P-C4' energy: -81.526 flat angles C4'-P-C4' energy: -87.332 flat angles P-C4'-P energy: -76.361 tors. eta vs tors. theta energy: -87.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -1172.145872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.145872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.145872 (E_RNA) where: Base-Base interactions energy: -798.020 where: short stacking energy: -354.580 Base-Backbone interact. energy: -2.476 local terms energy: -371.649817 where: bonds (distance) C4'-P energy: -72.017 bonds (distance) P-C4' energy: -85.561 flat angles C4'-P-C4' energy: -78.296 flat angles P-C4'-P energy: -51.807 tors. eta vs tors. theta energy: -83.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -930.768513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.768513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.768513 (E_RNA) where: Base-Base interactions energy: -603.186 where: short stacking energy: -260.400 Base-Backbone interact. energy: -1.109 local terms energy: -326.473586 where: bonds (distance) C4'-P energy: -69.410 bonds (distance) P-C4' energy: -82.775 flat angles C4'-P-C4' energy: -79.555 flat angles P-C4'-P energy: -48.054 tors. eta vs tors. theta energy: -46.681 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: 2 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -547.893496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.893496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.893496 (E_RNA) where: Base-Base interactions energy: -254.683 where: short stacking energy: -153.391 Base-Backbone interact. energy: 0.933 local terms energy: -294.143512 where: bonds (distance) C4'-P energy: -70.498 bonds (distance) P-C4' energy: -85.715 flat angles C4'-P-C4' energy: -81.365 flat angles P-C4'-P energy: -48.870 tors. eta vs tors. theta energy: -7.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1854.624760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1854.624760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1854.624760 (E_RNA) where: Base-Base interactions energy: -1325.102 where: short stacking energy: -540.726 Base-Backbone interact. energy: 3.646 local terms energy: -533.168542 where: bonds (distance) C4'-P energy: -95.586 bonds (distance) P-C4' energy: -96.079 flat angles C4'-P-C4' energy: -116.451 flat angles P-C4'-P energy: -82.926 tors. eta vs tors. theta energy: -142.127 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: 8 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1747.130706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.130706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.130706 (E_RNA) where: Base-Base interactions energy: -1223.980 where: short stacking energy: -524.582 Base-Backbone interact. energy: -0.922 local terms energy: -522.229316 where: bonds (distance) C4'-P energy: -86.044 bonds (distance) P-C4' energy: -97.828 flat angles C4'-P-C4' energy: -108.226 flat angles P-C4'-P energy: -74.215 tors. eta vs tors. theta energy: -155.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1701.656837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.656837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.656837 (E_RNA) where: Base-Base interactions energy: -1182.409 where: short stacking energy: -490.961 Base-Backbone interact. energy: -2.150 local terms energy: -517.097768 where: bonds (distance) C4'-P energy: -94.706 bonds (distance) P-C4' energy: -100.333 flat angles C4'-P-C4' energy: -107.256 flat angles P-C4'-P energy: -76.518 tors. eta vs tors. theta energy: -138.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1631.194860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.194860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.194860 (E_RNA) where: Base-Base interactions energy: -1149.117 where: short stacking energy: -489.749 Base-Backbone interact. energy: -1.440 local terms energy: -480.638088 where: bonds (distance) C4'-P energy: -69.929 bonds (distance) P-C4' energy: -87.118 flat angles C4'-P-C4' energy: -105.611 flat angles P-C4'-P energy: -78.644 tors. eta vs tors. theta energy: -139.336 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: 7 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -1482.631650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1482.631650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1482.631650 (E_RNA) where: Base-Base interactions energy: -1033.647 where: short stacking energy: -415.850 Base-Backbone interact. energy: -0.135 local terms energy: -448.849139 where: bonds (distance) C4'-P energy: -80.113 bonds (distance) P-C4' energy: -87.956 flat angles C4'-P-C4' energy: -102.904 flat angles P-C4'-P energy: -69.896 tors. eta vs tors. theta energy: -107.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -1335.229466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.229466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.229466 (E_RNA) where: Base-Base interactions energy: -897.895 where: short stacking energy: -400.253 Base-Backbone interact. energy: -0.283 local terms energy: -437.051447 where: bonds (distance) C4'-P energy: -75.782 bonds (distance) P-C4' energy: -92.306 flat angles C4'-P-C4' energy: -110.890 flat angles P-C4'-P energy: -62.134 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: 7, replica: 1 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -1240.368563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.368563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.368563 (E_RNA) where: Base-Base interactions energy: -833.219 where: short stacking energy: -361.789 Base-Backbone interact. energy: -1.107 local terms energy: -406.042274 where: bonds (distance) C4'-P energy: -94.076 bonds (distance) P-C4' energy: -84.688 flat angles C4'-P-C4' energy: -93.970 flat angles P-C4'-P energy: -49.711 tors. eta vs tors. theta energy: -83.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -1169.553083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.553083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.553083 (E_RNA) where: Base-Base interactions energy: -810.759 where: short stacking energy: -349.858 Base-Backbone interact. energy: -1.532 local terms energy: -357.261128 where: bonds (distance) C4'-P energy: -62.696 bonds (distance) P-C4' energy: -90.703 flat angles C4'-P-C4' energy: -73.612 flat angles P-C4'-P energy: -52.441 tors. eta vs tors. theta energy: -77.809 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: 316 Temperature: 1.300000 Total energy: -863.000953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.000953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.000953 (E_RNA) where: Base-Base interactions energy: -563.851 where: short stacking energy: -227.860 Base-Backbone interact. energy: 5.304 local terms energy: -304.453785 where: bonds (distance) C4'-P energy: -57.413 bonds (distance) P-C4' energy: -79.757 flat angles C4'-P-C4' energy: -71.540 flat angles P-C4'-P energy: -60.364 tors. eta vs tors. theta energy: -35.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -585.372343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.372343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.372343 (E_RNA) where: Base-Base interactions energy: -309.590 where: short stacking energy: -188.980 Base-Backbone interact. energy: -1.105 local terms energy: -274.677393 where: bonds (distance) C4'-P energy: -61.858 bonds (distance) P-C4' energy: -82.666 flat angles C4'-P-C4' energy: -83.826 flat angles P-C4'-P energy: -42.846 tors. eta vs tors. theta energy: -3.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1864.092852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.092852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.092852 (E_RNA) where: Base-Base interactions energy: -1305.549 where: short stacking energy: -548.692 Base-Backbone interact. energy: -0.862 local terms energy: -557.681812 where: bonds (distance) C4'-P energy: -104.702 bonds (distance) P-C4' energy: -103.970 flat angles C4'-P-C4' energy: -115.519 flat angles P-C4'-P energy: -80.320 tors. eta vs tors. theta energy: -153.170 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: 8 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1725.951089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.951089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.951089 (E_RNA) where: Base-Base interactions energy: -1212.814 where: short stacking energy: -514.945 Base-Backbone interact. energy: -3.650 local terms energy: -509.486833 where: bonds (distance) C4'-P energy: -86.188 bonds (distance) P-C4' energy: -103.378 flat angles C4'-P-C4' energy: -105.146 flat angles P-C4'-P energy: -67.464 tors. eta vs tors. theta energy: -147.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1731.355173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.355173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.355173 (E_RNA) where: Base-Base interactions energy: -1224.832 where: short stacking energy: -521.544 Base-Backbone interact. energy: -3.106 local terms energy: -503.417233 where: bonds (distance) C4'-P energy: -94.599 bonds (distance) P-C4' energy: -84.465 flat angles C4'-P-C4' energy: -111.323 flat angles P-C4'-P energy: -70.738 tors. eta vs tors. theta energy: -142.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1622.989392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.989392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.989392 (E_RNA) where: Base-Base interactions energy: -1117.140 where: short stacking energy: -500.447 Base-Backbone interact. energy: -1.949 local terms energy: -503.900269 where: bonds (distance) C4'-P energy: -91.135 bonds (distance) P-C4' energy: -97.590 flat angles C4'-P-C4' energy: -106.885 flat angles P-C4'-P energy: -61.649 tors. eta vs tors. theta energy: -146.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -1488.270426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.270426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.270426 (E_RNA) where: Base-Base interactions energy: -1053.871 where: short stacking energy: -443.703 Base-Backbone interact. energy: 1.885 local terms energy: -436.284926 where: bonds (distance) C4'-P energy: -84.456 bonds (distance) P-C4' energy: -73.932 flat angles C4'-P-C4' energy: -94.474 flat angles P-C4'-P energy: -71.461 tors. eta vs tors. theta energy: -111.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -1364.072348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.072348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.072348 (E_RNA) where: Base-Base interactions energy: -936.333 where: short stacking energy: -423.932 Base-Backbone interact. energy: -1.288 local terms energy: -426.450663 where: bonds (distance) C4'-P energy: -79.440 bonds (distance) P-C4' energy: -87.079 flat angles C4'-P-C4' energy: -96.259 flat angles P-C4'-P energy: -51.833 tors. eta vs tors. theta energy: -111.839 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: 7, replica: 1 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -1312.798692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.798692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.798692 (E_RNA) where: Base-Base interactions energy: -902.702 where: short stacking energy: -405.299 Base-Backbone interact. energy: -3.239 local terms energy: -406.858192 where: bonds (distance) C4'-P energy: -73.538 bonds (distance) P-C4' energy: -88.590 flat angles C4'-P-C4' energy: -91.716 flat angles P-C4'-P energy: -53.324 tors. eta vs tors. theta energy: -99.691 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: 4 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -1150.687851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.687851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.687851 (E_RNA) where: Base-Base interactions energy: -778.689 where: short stacking energy: -334.089 Base-Backbone interact. energy: 4.303 local terms energy: -376.301231 where: bonds (distance) C4'-P energy: -85.464 bonds (distance) P-C4' energy: -73.839 flat angles C4'-P-C4' energy: -86.855 flat angles P-C4'-P energy: -48.570 tors. eta vs tors. theta energy: -81.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -925.447001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.447001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.447001 (E_RNA) where: Base-Base interactions energy: -573.771 where: short stacking energy: -254.807 Base-Backbone interact. energy: 2.521 local terms energy: -354.197599 where: bonds (distance) C4'-P energy: -84.543 bonds (distance) P-C4' energy: -83.518 flat angles C4'-P-C4' energy: -91.960 flat angles P-C4'-P energy: -52.528 tors. eta vs tors. theta energy: -41.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -591.076450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.076450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.076450 (E_RNA) where: Base-Base interactions energy: -301.213 where: short stacking energy: -184.787 Base-Backbone interact. energy: -0.993 local terms energy: -288.870136 where: bonds (distance) C4'-P energy: -70.969 bonds (distance) P-C4' energy: -81.573 flat angles C4'-P-C4' energy: -74.228 flat angles P-C4'-P energy: -44.879 tors. eta vs tors. theta energy: -17.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1865.010355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.010355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.010355 (E_RNA) where: Base-Base interactions energy: -1332.307 where: short stacking energy: -545.950 Base-Backbone interact. energy: 1.485 local terms energy: -534.188320 where: bonds (distance) C4'-P energy: -100.158 bonds (distance) P-C4' energy: -90.576 flat angles C4'-P-C4' energy: -109.818 flat angles P-C4'-P energy: -81.883 tors. eta vs tors. theta energy: -151.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 318 Temperature: 0.950000 Total energy: -1770.694485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.694485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.694485 (E_RNA) where: Base-Base interactions energy: -1232.536 where: short stacking energy: -507.760 Base-Backbone interact. energy: -2.428 local terms energy: -535.730223 where: bonds (distance) C4'-P energy: -99.182 bonds (distance) P-C4' energy: -99.823 flat angles C4'-P-C4' energy: -111.194 flat angles P-C4'-P energy: -70.350 tors. eta vs tors. theta energy: -155.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1678.880989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1678.880989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1678.880989 (E_RNA) where: Base-Base interactions energy: -1190.813 where: short stacking energy: -486.441 Base-Backbone interact. energy: -2.770 local terms energy: -485.297818 where: bonds (distance) C4'-P energy: -88.320 bonds (distance) P-C4' energy: -94.409 flat angles C4'-P-C4' energy: -101.073 flat angles P-C4'-P energy: -70.064 tors. eta vs tors. theta energy: -131.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1625.280389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.280389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.280389 (E_RNA) where: Base-Base interactions energy: -1129.878 where: short stacking energy: -478.882 Base-Backbone interact. energy: -3.636 local terms energy: -491.765942 where: bonds (distance) C4'-P energy: -94.876 bonds (distance) P-C4' energy: -84.260 flat angles C4'-P-C4' energy: -108.617 flat angles P-C4'-P energy: -72.218 tors. eta vs tors. theta energy: -131.794 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: 7 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -1509.844875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.844875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.844875 (E_RNA) where: Base-Base interactions energy: -1055.550 where: short stacking energy: -439.560 Base-Backbone interact. energy: -2.057 local terms energy: -452.237588 where: bonds (distance) C4'-P energy: -86.475 bonds (distance) P-C4' energy: -77.618 flat angles C4'-P-C4' energy: -101.809 flat angles P-C4'-P energy: -72.327 tors. eta vs tors. theta energy: -114.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -1341.094570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.094570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.094570 (E_RNA) where: Base-Base interactions energy: -915.298 where: short stacking energy: -386.426 Base-Backbone interact. energy: -3.622 local terms energy: -422.174413 where: bonds (distance) C4'-P energy: -72.934 bonds (distance) P-C4' energy: -84.634 flat angles C4'-P-C4' energy: -109.451 flat angles P-C4'-P energy: -71.771 tors. eta vs tors. theta energy: -83.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -1285.634275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.634275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.634275 (E_RNA) where: Base-Base interactions energy: -891.064 where: short stacking energy: -396.603 Base-Backbone interact. energy: 2.392 local terms energy: -396.961778 where: bonds (distance) C4'-P energy: -75.015 bonds (distance) P-C4' energy: -77.316 flat angles C4'-P-C4' energy: -101.173 flat angles P-C4'-P energy: -49.679 tors. eta vs tors. theta energy: -93.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -1185.130672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.130672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.130672 (E_RNA) where: Base-Base interactions energy: -807.248 where: short stacking energy: -351.317 Base-Backbone interact. energy: 4.170 local terms energy: -382.052772 where: bonds (distance) C4'-P energy: -84.305 bonds (distance) P-C4' energy: -86.025 flat angles C4'-P-C4' energy: -79.415 flat angles P-C4'-P energy: -55.534 tors. eta vs tors. theta energy: -76.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -953.631512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.631512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.631512 (E_RNA) where: Base-Base interactions energy: -630.424 where: short stacking energy: -285.356 Base-Backbone interact. energy: -1.558 local terms energy: -321.649469 where: bonds (distance) C4'-P energy: -61.307 bonds (distance) P-C4' energy: -65.150 flat angles C4'-P-C4' energy: -84.023 flat angles P-C4'-P energy: -49.044 tors. eta vs tors. theta energy: -62.125 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: 2 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -555.319006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.319006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.319006 (E_RNA) where: Base-Base interactions energy: -284.384 where: short stacking energy: -153.794 Base-Backbone interact. energy: 2.879 local terms energy: -273.813899 where: bonds (distance) C4'-P energy: -84.613 bonds (distance) P-C4' energy: -77.164 flat angles C4'-P-C4' energy: -71.279 flat angles P-C4'-P energy: -54.666 tors. eta vs tors. theta energy: 13.908 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: 1, replica: 6 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1880.512078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.512078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.512078 (E_RNA) where: Base-Base interactions energy: -1335.784 where: short stacking energy: -549.953 Base-Backbone interact. energy: 0.282 local terms energy: -545.009765 where: bonds (distance) C4'-P energy: -88.331 bonds (distance) P-C4' energy: -101.142 flat angles C4'-P-C4' energy: -119.094 flat angles P-C4'-P energy: -79.720 tors. eta vs tors. theta energy: -156.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1768.270128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.270128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.270128 (E_RNA) where: Base-Base interactions energy: -1229.444 where: short stacking energy: -520.969 Base-Backbone interact. energy: -1.588 local terms energy: -537.237730 where: bonds (distance) C4'-P energy: -100.334 bonds (distance) P-C4' energy: -95.724 flat angles C4'-P-C4' energy: -109.527 flat angles P-C4'-P energy: -80.332 tors. eta vs tors. theta energy: -151.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1698.595662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.595662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.595662 (E_RNA) where: Base-Base interactions energy: -1223.270 where: short stacking energy: -493.337 Base-Backbone interact. energy: -0.349 local terms energy: -474.976536 where: bonds (distance) C4'-P energy: -82.811 bonds (distance) P-C4' energy: -87.756 flat angles C4'-P-C4' energy: -109.390 flat angles P-C4'-P energy: -66.014 tors. eta vs tors. theta energy: -129.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1601.341799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.341799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.341799 (E_RNA) where: Base-Base interactions energy: -1133.088 where: short stacking energy: -481.655 Base-Backbone interact. energy: -3.474 local terms energy: -464.779405 where: bonds (distance) C4'-P energy: -81.669 bonds (distance) P-C4' energy: -87.834 flat angles C4'-P-C4' energy: -104.612 flat angles P-C4'-P energy: -64.458 tors. eta vs tors. theta energy: -126.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -1495.440170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1495.440170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1495.440170 (E_RNA) where: Base-Base interactions energy: -1047.223 where: short stacking energy: -438.609 Base-Backbone interact. energy: 2.453 local terms energy: -450.670692 where: bonds (distance) C4'-P energy: -82.743 bonds (distance) P-C4' energy: -96.212 flat angles C4'-P-C4' energy: -103.537 flat angles P-C4'-P energy: -62.267 tors. eta vs tors. theta energy: -105.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -1383.846715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.846715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.846715 (E_RNA) where: Base-Base interactions energy: -929.495 where: short stacking energy: -399.328 Base-Backbone interact. energy: -1.458 local terms energy: -452.893965 where: bonds (distance) C4'-P energy: -87.659 bonds (distance) P-C4' energy: -90.749 flat angles C4'-P-C4' energy: -104.415 flat angles P-C4'-P energy: -57.363 tors. eta vs tors. theta energy: -112.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -1289.187044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.187044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.187044 (E_RNA) where: Base-Base interactions energy: -864.345 where: short stacking energy: -382.482 Base-Backbone interact. energy: -1.584 local terms energy: -423.258302 where: bonds (distance) C4'-P energy: -78.602 bonds (distance) P-C4' energy: -96.644 flat angles C4'-P-C4' energy: -89.293 flat angles P-C4'-P energy: -66.942 tors. eta vs tors. theta energy: -91.776 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: 4 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -1164.312150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.312150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.312150 (E_RNA) where: Base-Base interactions energy: -791.258 where: short stacking energy: -317.701 Base-Backbone interact. energy: -0.728 local terms energy: -372.326498 where: bonds (distance) C4'-P energy: -79.357 bonds (distance) P-C4' energy: -88.831 flat angles C4'-P-C4' energy: -76.050 flat angles P-C4'-P energy: -51.963 tors. eta vs tors. theta energy: -76.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -958.948346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.948346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.948346 (E_RNA) where: Base-Base interactions energy: -613.414 where: short stacking energy: -277.940 Base-Backbone interact. energy: -1.118 local terms energy: -344.415961 where: bonds (distance) C4'-P energy: -73.636 bonds (distance) P-C4' energy: -75.254 flat angles C4'-P-C4' energy: -82.199 flat angles P-C4'-P energy: -60.694 tors. eta vs tors. theta energy: -52.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -571.554354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.554354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.554354 (E_RNA) where: Base-Base interactions energy: -297.540 where: short stacking energy: -184.154 Base-Backbone interact. energy: -0.871 local terms energy: -273.143490 where: bonds (distance) C4'-P energy: -70.319 bonds (distance) P-C4' energy: -83.249 flat angles C4'-P-C4' energy: -73.828 flat angles P-C4'-P energy: -27.512 tors. eta vs tors. theta energy: -18.236 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: 6 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1857.302429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.302429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.302429 (E_RNA) where: Base-Base interactions energy: -1318.737 where: short stacking energy: -540.857 Base-Backbone interact. energy: -0.296 local terms energy: -538.269073 where: bonds (distance) C4'-P energy: -100.423 bonds (distance) P-C4' energy: -90.694 flat angles C4'-P-C4' energy: -114.430 flat angles P-C4'-P energy: -80.425 tors. eta vs tors. theta energy: -152.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1795.044156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.044156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.044156 (E_RNA) where: Base-Base interactions energy: -1248.311 where: short stacking energy: -527.503 Base-Backbone interact. energy: -1.226 local terms energy: -545.507184 where: bonds (distance) C4'-P energy: -98.824 bonds (distance) P-C4' energy: -95.924 flat angles C4'-P-C4' energy: -108.642 flat angles P-C4'-P energy: -88.018 tors. eta vs tors. theta energy: -154.098 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: 5 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1705.276111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.276111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.276111 (E_RNA) where: Base-Base interactions energy: -1201.268 where: short stacking energy: -497.175 Base-Backbone interact. energy: -2.050 local terms energy: -501.958478 where: bonds (distance) C4'-P energy: -101.290 bonds (distance) P-C4' energy: -83.351 flat angles C4'-P-C4' energy: -102.521 flat angles P-C4'-P energy: -83.315 tors. eta vs tors. theta energy: -131.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1584.992216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.992216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.992216 (E_RNA) where: Base-Base interactions energy: -1107.774 where: short stacking energy: -470.346 Base-Backbone interact. energy: 0.324 local terms energy: -477.541955 where: bonds (distance) C4'-P energy: -83.308 bonds (distance) P-C4' energy: -87.595 flat angles C4'-P-C4' energy: -110.270 flat angles P-C4'-P energy: -62.522 tors. eta vs tors. theta energy: -133.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -1508.781158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.781158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.781158 (E_RNA) where: Base-Base interactions energy: -1065.516 where: short stacking energy: -444.224 Base-Backbone interact. energy: 1.967 local terms energy: -445.232120 where: bonds (distance) C4'-P energy: -70.976 bonds (distance) P-C4' energy: -86.591 flat angles C4'-P-C4' energy: -97.127 flat angles P-C4'-P energy: -75.560 tors. eta vs tors. theta energy: -114.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -1381.496347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.496347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.496347 (E_RNA) where: Base-Base interactions energy: -945.499 where: short stacking energy: -410.309 Base-Backbone interact. energy: -0.656 local terms energy: -435.341068 where: bonds (distance) C4'-P energy: -71.614 bonds (distance) P-C4' energy: -90.277 flat angles C4'-P-C4' energy: -106.171 flat angles P-C4'-P energy: -62.187 tors. eta vs tors. theta energy: -105.092 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: 7, replica: 4 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -1306.310507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.310507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.310507 (E_RNA) where: Base-Base interactions energy: -868.305 where: short stacking energy: -392.840 Base-Backbone interact. energy: 0.158 local terms energy: -438.163464 where: bonds (distance) C4'-P energy: -93.260 bonds (distance) P-C4' energy: -91.312 flat angles C4'-P-C4' energy: -88.867 flat angles P-C4'-P energy: -57.696 tors. eta vs tors. theta energy: -107.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -1209.886275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.886275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.886275 (E_RNA) where: Base-Base interactions energy: -840.094 where: short stacking energy: -367.365 Base-Backbone interact. energy: -2.004 local terms energy: -367.788682 where: bonds (distance) C4'-P energy: -69.349 bonds (distance) P-C4' energy: -85.201 flat angles C4'-P-C4' energy: -90.114 flat angles P-C4'-P energy: -46.302 tors. eta vs tors. theta energy: -76.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -991.694336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.694336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.694336 (E_RNA) where: Base-Base interactions energy: -643.281 where: short stacking energy: -291.232 Base-Backbone interact. energy: -2.037 local terms energy: -346.375788 where: bonds (distance) C4'-P energy: -82.749 bonds (distance) P-C4' energy: -76.782 flat angles C4'-P-C4' energy: -93.364 flat angles P-C4'-P energy: -38.128 tors. eta vs tors. theta energy: -55.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -495.668414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.668414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.668414 (E_RNA) where: Base-Base interactions energy: -215.649 where: short stacking energy: -140.097 Base-Backbone interact. energy: 0.787 local terms energy: -280.806781 where: bonds (distance) C4'-P energy: -59.607 bonds (distance) P-C4' energy: -98.930 flat angles C4'-P-C4' energy: -68.781 flat angles P-C4'-P energy: -50.919 tors. eta vs tors. theta energy: -2.570 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: 6 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1865.168487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.168487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.168487 (E_RNA) where: Base-Base interactions energy: -1326.141 where: short stacking energy: -537.854 Base-Backbone interact. energy: -1.345 local terms energy: -537.683183 where: bonds (distance) C4'-P energy: -95.208 bonds (distance) P-C4' energy: -98.268 flat angles C4'-P-C4' energy: -116.158 flat angles P-C4'-P energy: -80.080 tors. eta vs tors. theta energy: -147.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1782.761501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.761501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.761501 (E_RNA) where: Base-Base interactions energy: -1242.351 where: short stacking energy: -538.553 Base-Backbone interact. energy: -1.448 local terms energy: -538.961697 where: bonds (distance) C4'-P energy: -94.965 bonds (distance) P-C4' energy: -97.411 flat angles C4'-P-C4' energy: -112.315 flat angles P-C4'-P energy: -79.888 tors. eta vs tors. theta energy: -154.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1703.274326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.274326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.274326 (E_RNA) where: Base-Base interactions energy: -1174.936 where: short stacking energy: -494.339 Base-Backbone interact. energy: -3.622 local terms energy: -524.716762 where: bonds (distance) C4'-P energy: -97.984 bonds (distance) P-C4' energy: -90.801 flat angles C4'-P-C4' energy: -118.890 flat angles P-C4'-P energy: -71.783 tors. eta vs tors. theta energy: -145.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1584.634377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.634377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.634377 (E_RNA) where: Base-Base interactions energy: -1105.075 where: short stacking energy: -470.544 Base-Backbone interact. energy: -0.519 local terms energy: -479.040309 where: bonds (distance) C4'-P energy: -86.978 bonds (distance) P-C4' energy: -91.784 flat angles C4'-P-C4' energy: -112.408 flat angles P-C4'-P energy: -54.407 tors. eta vs tors. theta energy: -133.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -1493.843544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1493.843544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1493.843544 (E_RNA) where: Base-Base interactions energy: -1024.171 where: short stacking energy: -430.319 Base-Backbone interact. energy: -4.927 local terms energy: -464.745909 where: bonds (distance) C4'-P energy: -91.840 bonds (distance) P-C4' energy: -94.311 flat angles C4'-P-C4' energy: -104.058 flat angles P-C4'-P energy: -63.757 tors. eta vs tors. theta energy: -110.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -1361.120950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.120950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.120950 (E_RNA) where: Base-Base interactions energy: -913.442 where: short stacking energy: -385.960 Base-Backbone interact. energy: -2.797 local terms energy: -444.881945 where: bonds (distance) C4'-P energy: -92.590 bonds (distance) P-C4' energy: -96.770 flat angles C4'-P-C4' energy: -93.840 flat angles P-C4'-P energy: -59.168 tors. eta vs tors. theta energy: -102.513 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: 321 Temperature: 1.200000 Total energy: -1242.090133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1242.090133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1242.090133 (E_RNA) where: Base-Base interactions energy: -849.943 where: short stacking energy: -374.074 Base-Backbone interact. energy: -0.853 local terms energy: -391.293759 where: bonds (distance) C4'-P energy: -81.472 bonds (distance) P-C4' energy: -86.717 flat angles C4'-P-C4' energy: -88.160 flat angles P-C4'-P energy: -40.030 tors. eta vs tors. theta energy: -94.914 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: 1 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -1241.201653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.201653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.201653 (E_RNA) where: Base-Base interactions energy: -868.005 where: short stacking energy: -377.069 Base-Backbone interact. energy: 7.687 local terms energy: -380.883174 where: bonds (distance) C4'-P energy: -74.716 bonds (distance) P-C4' energy: -70.307 flat angles C4'-P-C4' energy: -91.964 flat angles P-C4'-P energy: -63.988 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: 9, replica: 10 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -937.994226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.994226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.994226 (E_RNA) where: Base-Base interactions energy: -600.295 where: short stacking energy: -250.426 Base-Backbone interact. energy: 0.448 local terms energy: -338.147247 where: bonds (distance) C4'-P energy: -83.650 bonds (distance) P-C4' energy: -78.072 flat angles C4'-P-C4' energy: -81.231 flat angles P-C4'-P energy: -56.558 tors. eta vs tors. theta energy: -38.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -515.376245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.376245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.376245 (E_RNA) where: Base-Base interactions energy: -230.203 where: short stacking energy: -137.196 Base-Backbone interact. energy: -1.565 local terms energy: -283.608865 where: bonds (distance) C4'-P energy: -82.768 bonds (distance) P-C4' energy: -79.476 flat angles C4'-P-C4' energy: -91.068 flat angles P-C4'-P energy: -43.828 tors. eta vs tors. theta energy: 13.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1868.476153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.476153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.476153 (E_RNA) where: Base-Base interactions energy: -1324.019 where: short stacking energy: -541.357 Base-Backbone interact. energy: -2.280 local terms energy: -542.177288 where: bonds (distance) C4'-P energy: -100.302 bonds (distance) P-C4' energy: -110.069 flat angles C4'-P-C4' energy: -105.792 flat angles P-C4'-P energy: -76.413 tors. eta vs tors. theta energy: -149.602 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: 8 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1760.986931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.986931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.986931 (E_RNA) where: Base-Base interactions energy: -1228.063 where: short stacking energy: -546.307 Base-Backbone interact. energy: -1.872 local terms energy: -531.051651 where: bonds (distance) C4'-P energy: -88.836 bonds (distance) P-C4' energy: -92.846 flat angles C4'-P-C4' energy: -120.674 flat angles P-C4'-P energy: -70.909 tors. eta vs tors. theta energy: -157.787 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: 5 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1724.084742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.084742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.084742 (E_RNA) where: Base-Base interactions energy: -1220.661 where: short stacking energy: -505.727 Base-Backbone interact. energy: 2.771 local terms energy: -506.194069 where: bonds (distance) C4'-P energy: -87.375 bonds (distance) P-C4' energy: -108.605 flat angles C4'-P-C4' energy: -104.459 flat angles P-C4'-P energy: -69.131 tors. eta vs tors. theta energy: -136.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1616.291431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.291431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.291431 (E_RNA) where: Base-Base interactions energy: -1113.480 where: short stacking energy: -474.969 Base-Backbone interact. energy: -1.587 local terms energy: -501.225212 where: bonds (distance) C4'-P energy: -96.743 bonds (distance) P-C4' energy: -92.444 flat angles C4'-P-C4' energy: -111.883 flat angles P-C4'-P energy: -66.922 tors. eta vs tors. theta energy: -133.233 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: 5, replica: 7 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -1491.876631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.876631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.876631 (E_RNA) where: Base-Base interactions energy: -1026.188 where: short stacking energy: -440.912 Base-Backbone interact. energy: 0.277 local terms energy: -465.965727 where: bonds (distance) C4'-P energy: -79.474 bonds (distance) P-C4' energy: -90.446 flat angles C4'-P-C4' energy: -111.240 flat angles P-C4'-P energy: -60.908 tors. eta vs tors. theta energy: -123.897 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: 6, replica: 9 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -1358.718081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.718081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.718081 (E_RNA) where: Base-Base interactions energy: -904.780 where: short stacking energy: -390.683 Base-Backbone interact. energy: 2.178 local terms energy: -456.116867 where: bonds (distance) C4'-P energy: -83.719 bonds (distance) P-C4' energy: -76.750 flat angles C4'-P-C4' energy: -115.452 flat angles P-C4'-P energy: -65.823 tors. eta vs tors. theta energy: -114.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -1277.449541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.449541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.449541 (E_RNA) where: Base-Base interactions energy: -836.201 where: short stacking energy: -359.330 Base-Backbone interact. energy: 0.061 local terms energy: -441.309150 where: bonds (distance) C4'-P energy: -99.566 bonds (distance) P-C4' energy: -86.794 flat angles C4'-P-C4' energy: -93.042 flat angles P-C4'-P energy: -60.597 tors. eta vs tors. theta energy: -101.310 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: 8, replica: 1 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -1195.554575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.554575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.554575 (E_RNA) where: Base-Base interactions energy: -831.554 where: short stacking energy: -377.390 Base-Backbone interact. energy: 5.017 local terms energy: -369.018078 where: bonds (distance) C4'-P energy: -69.861 bonds (distance) P-C4' energy: -73.293 flat angles C4'-P-C4' energy: -89.680 flat angles P-C4'-P energy: -55.786 tors. eta vs tors. theta energy: -80.399 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: 9, replica: 10 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -948.405210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.405210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.405210 (E_RNA) where: Base-Base interactions energy: -621.636 where: short stacking energy: -263.058 Base-Backbone interact. energy: -2.333 local terms energy: -324.435836 where: bonds (distance) C4'-P energy: -74.252 bonds (distance) P-C4' energy: -76.074 flat angles C4'-P-C4' energy: -74.927 flat angles P-C4'-P energy: -50.271 tors. eta vs tors. theta energy: -48.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -587.109474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.109474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.109474 (E_RNA) where: Base-Base interactions energy: -308.731 where: short stacking energy: -197.520 Base-Backbone interact. energy: -0.996 local terms energy: -277.381645 where: bonds (distance) C4'-P energy: -72.854 bonds (distance) P-C4' energy: -86.300 flat angles C4'-P-C4' energy: -81.248 flat angles P-C4'-P energy: -30.439 tors. eta vs tors. theta energy: -6.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1868.958043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.958043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.958043 (E_RNA) where: Base-Base interactions energy: -1342.223 where: short stacking energy: -550.417 Base-Backbone interact. energy: -0.675 local terms energy: -526.060447 where: bonds (distance) C4'-P energy: -93.100 bonds (distance) P-C4' energy: -92.175 flat angles C4'-P-C4' energy: -108.239 flat angles P-C4'-P energy: -81.108 tors. eta vs tors. theta energy: -151.439 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: 2, replica: 8 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1780.749567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.749567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.749567 (E_RNA) where: Base-Base interactions energy: -1233.434 where: short stacking energy: -512.209 Base-Backbone interact. energy: -1.484 local terms energy: -545.831241 where: bonds (distance) C4'-P energy: -98.167 bonds (distance) P-C4' energy: -104.163 flat angles C4'-P-C4' energy: -119.401 flat angles P-C4'-P energy: -74.068 tors. eta vs tors. theta energy: -150.033 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: 323 Temperature: 1.000000 Total energy: -1716.797835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.797835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.797835 (E_RNA) where: Base-Base interactions energy: -1198.667 where: short stacking energy: -492.662 Base-Backbone interact. energy: -2.194 local terms energy: -515.936954 where: bonds (distance) C4'-P energy: -89.289 bonds (distance) P-C4' energy: -96.038 flat angles C4'-P-C4' energy: -108.958 flat angles P-C4'-P energy: -75.946 tors. eta vs tors. theta energy: -145.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1639.876623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.876623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.876623 (E_RNA) where: Base-Base interactions energy: -1146.926 where: short stacking energy: -506.723 Base-Backbone interact. energy: -0.595 local terms energy: -492.355498 where: bonds (distance) C4'-P energy: -89.903 bonds (distance) P-C4' energy: -99.722 flat angles C4'-P-C4' energy: -100.656 flat angles P-C4'-P energy: -61.226 tors. eta vs tors. theta energy: -140.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -1512.110121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.110121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.110121 (E_RNA) where: Base-Base interactions energy: -1065.006 where: short stacking energy: -447.697 Base-Backbone interact. energy: -2.369 local terms energy: -444.735558 where: bonds (distance) C4'-P energy: -77.961 bonds (distance) P-C4' energy: -82.870 flat angles C4'-P-C4' energy: -104.564 flat angles P-C4'-P energy: -63.087 tors. eta vs tors. theta energy: -116.254 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: 9 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -1358.369257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.369257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.369257 (E_RNA) where: Base-Base interactions energy: -936.485 where: short stacking energy: -409.824 Base-Backbone interact. energy: -0.942 local terms energy: -420.941639 where: bonds (distance) C4'-P energy: -70.080 bonds (distance) P-C4' energy: -78.751 flat angles C4'-P-C4' energy: -95.729 flat angles P-C4'-P energy: -59.024 tors. eta vs tors. theta energy: -117.359 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: 4 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -1318.828786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.828786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.828786 (E_RNA) where: Base-Base interactions energy: -914.734 where: short stacking energy: -402.719 Base-Backbone interact. energy: -2.344 local terms energy: -401.751109 where: bonds (distance) C4'-P energy: -58.797 bonds (distance) P-C4' energy: -85.999 flat angles C4'-P-C4' energy: -96.281 flat angles P-C4'-P energy: -52.138 tors. eta vs tors. theta energy: -108.536 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: 1 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -1273.867934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.867934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.867934 (E_RNA) where: Base-Base interactions energy: -855.172 where: short stacking energy: -370.607 Base-Backbone interact. energy: -1.940 local terms energy: -416.756102 where: bonds (distance) C4'-P energy: -90.360 bonds (distance) P-C4' energy: -74.037 flat angles C4'-P-C4' energy: -94.239 flat angles P-C4'-P energy: -63.895 tors. eta vs tors. theta energy: -94.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -897.279937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.279937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.279937 (E_RNA) where: Base-Base interactions energy: -555.975 where: short stacking energy: -265.657 Base-Backbone interact. energy: -0.059 local terms energy: -341.246035 where: bonds (distance) C4'-P energy: -76.162 bonds (distance) P-C4' energy: -73.543 flat angles C4'-P-C4' energy: -98.567 flat angles P-C4'-P energy: -36.696 tors. eta vs tors. theta energy: -56.279 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: 2 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -587.882173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.882173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.882173 (E_RNA) where: Base-Base interactions energy: -322.838 where: short stacking energy: -177.787 Base-Backbone interact. energy: -2.522 local terms energy: -262.522403 where: bonds (distance) C4'-P energy: -68.371 bonds (distance) P-C4' energy: -85.651 flat angles C4'-P-C4' energy: -78.696 flat angles P-C4'-P energy: -38.383 tors. eta vs tors. theta energy: 8.579 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: 6 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1869.740203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.740203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.740203 (E_RNA) where: Base-Base interactions energy: -1323.856 where: short stacking energy: -535.597 Base-Backbone interact. energy: -2.908 local terms energy: -542.976844 where: bonds (distance) C4'-P energy: -98.856 bonds (distance) P-C4' energy: -106.641 flat angles C4'-P-C4' energy: -120.606 flat angles P-C4'-P energy: -68.732 tors. eta vs tors. theta energy: -148.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1762.698749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.698749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.698749 (E_RNA) where: Base-Base interactions energy: -1228.322 where: short stacking energy: -516.546 Base-Backbone interact. energy: -2.422 local terms energy: -531.955213 where: bonds (distance) C4'-P energy: -92.078 bonds (distance) P-C4' energy: -99.185 flat angles C4'-P-C4' energy: -112.012 flat angles P-C4'-P energy: -81.662 tors. eta vs tors. theta energy: -147.019 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: 5 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1724.308042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.308042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.308042 (E_RNA) where: Base-Base interactions energy: -1208.436 where: short stacking energy: -536.596 Base-Backbone interact. energy: -2.017 local terms energy: -513.855020 where: bonds (distance) C4'-P energy: -92.268 bonds (distance) P-C4' energy: -92.236 flat angles C4'-P-C4' energy: -111.653 flat angles P-C4'-P energy: -73.369 tors. eta vs tors. theta energy: -144.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1626.195113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.195113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.195113 (E_RNA) where: Base-Base interactions energy: -1157.825 where: short stacking energy: -479.518 Base-Backbone interact. energy: -1.702 local terms energy: -466.667587 where: bonds (distance) C4'-P energy: -74.926 bonds (distance) P-C4' energy: -95.511 flat angles C4'-P-C4' energy: -100.441 flat angles P-C4'-P energy: -64.428 tors. eta vs tors. theta energy: -131.362 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: 7 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -1499.868783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.868783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.868783 (E_RNA) where: Base-Base interactions energy: -1040.207 where: short stacking energy: -448.177 Base-Backbone interact. energy: 0.537 local terms energy: -460.198885 where: bonds (distance) C4'-P energy: -99.504 bonds (distance) P-C4' energy: -83.758 flat angles C4'-P-C4' energy: -100.935 flat angles P-C4'-P energy: -58.953 tors. eta vs tors. theta energy: -117.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -1392.042382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.042382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.042382 (E_RNA) where: Base-Base interactions energy: -942.841 where: short stacking energy: -404.338 Base-Backbone interact. energy: 0.063 local terms energy: -449.264363 where: bonds (distance) C4'-P energy: -85.981 bonds (distance) P-C4' energy: -96.234 flat angles C4'-P-C4' energy: -92.992 flat angles P-C4'-P energy: -73.257 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: 7, replica: 4 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -1324.544555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.544555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.544555 (E_RNA) where: Base-Base interactions energy: -900.428 where: short stacking energy: -387.355 Base-Backbone interact. energy: -0.217 local terms energy: -423.899803 where: bonds (distance) C4'-P energy: -75.071 bonds (distance) P-C4' energy: -95.723 flat angles C4'-P-C4' energy: -96.973 flat angles P-C4'-P energy: -61.087 tors. eta vs tors. theta energy: -95.046 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: 1 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -1253.401205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1253.401205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1253.401205 (E_RNA) where: Base-Base interactions energy: -860.253 where: short stacking energy: -348.068 Base-Backbone interact. energy: 3.252 local terms energy: -396.400035 where: bonds (distance) C4'-P energy: -78.002 bonds (distance) P-C4' energy: -95.253 flat angles C4'-P-C4' energy: -90.363 flat angles P-C4'-P energy: -51.269 tors. eta vs tors. theta energy: -81.513 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: 324 Temperature: 1.300000 Total energy: -871.207683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.207683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.207683 (E_RNA) where: Base-Base interactions energy: -539.653 where: short stacking energy: -279.397 Base-Backbone interact. energy: 1.438 local terms energy: -332.992574 where: bonds (distance) C4'-P energy: -87.125 bonds (distance) P-C4' energy: -81.546 flat angles C4'-P-C4' energy: -74.382 flat angles P-C4'-P energy: -42.333 tors. eta vs tors. theta energy: -47.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -560.508662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.508662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.508662 (E_RNA) where: Base-Base interactions energy: -272.564 where: short stacking energy: -159.190 Base-Backbone interact. energy: 0.949 local terms energy: -288.893049 where: bonds (distance) C4'-P energy: -73.261 bonds (distance) P-C4' energy: -79.492 flat angles C4'-P-C4' energy: -81.543 flat angles P-C4'-P energy: -46.949 tors. eta vs tors. theta energy: -7.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1873.128261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.128261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.128261 (E_RNA) where: Base-Base interactions energy: -1329.565 where: short stacking energy: -539.245 Base-Backbone interact. energy: -3.008 local terms energy: -540.555725 where: bonds (distance) C4'-P energy: -98.625 bonds (distance) P-C4' energy: -100.872 flat angles C4'-P-C4' energy: -113.296 flat angles P-C4'-P energy: -77.069 tors. eta vs tors. theta energy: -150.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1740.720908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.720908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.720908 (E_RNA) where: Base-Base interactions energy: -1218.584 where: short stacking energy: -513.266 Base-Backbone interact. energy: -2.622 local terms energy: -519.515043 where: bonds (distance) C4'-P energy: -103.982 bonds (distance) P-C4' energy: -97.758 flat angles C4'-P-C4' energy: -108.623 flat angles P-C4'-P energy: -72.984 tors. eta vs tors. theta energy: -136.168 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: 8 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1753.250953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.250953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.250953 (E_RNA) where: Base-Base interactions energy: -1232.354 where: short stacking energy: -530.589 Base-Backbone interact. energy: -2.133 local terms energy: -518.764043 where: bonds (distance) C4'-P energy: -86.328 bonds (distance) P-C4' energy: -96.751 flat angles C4'-P-C4' energy: -106.641 flat angles P-C4'-P energy: -77.882 tors. eta vs tors. theta energy: -151.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1669.915696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.915696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.915696 (E_RNA) where: Base-Base interactions energy: -1172.004 where: short stacking energy: -498.415 Base-Backbone interact. energy: 2.041 local terms energy: -499.953190 where: bonds (distance) C4'-P energy: -90.207 bonds (distance) P-C4' energy: -86.837 flat angles C4'-P-C4' energy: -108.574 flat angles P-C4'-P energy: -69.187 tors. eta vs tors. theta energy: -145.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -1508.927722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1508.927722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1508.927722 (E_RNA) where: Base-Base interactions energy: -1050.642 where: short stacking energy: -439.612 Base-Backbone interact. energy: -2.054 local terms energy: -456.231536 where: bonds (distance) C4'-P energy: -68.246 bonds (distance) P-C4' energy: -88.538 flat angles C4'-P-C4' energy: -102.873 flat angles P-C4'-P energy: -73.470 tors. eta vs tors. theta energy: -123.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -1325.771725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1325.771725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1325.771725 (E_RNA) where: Base-Base interactions energy: -893.120 where: short stacking energy: -388.899 Base-Backbone interact. energy: -0.900 local terms energy: -431.751565 where: bonds (distance) C4'-P energy: -85.645 bonds (distance) P-C4' energy: -88.978 flat angles C4'-P-C4' energy: -97.694 flat angles P-C4'-P energy: -63.483 tors. eta vs tors. theta energy: -95.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -1293.009642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.009642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.009642 (E_RNA) where: Base-Base interactions energy: -875.218 where: short stacking energy: -367.968 Base-Backbone interact. energy: -1.442 local terms energy: -416.350477 where: bonds (distance) C4'-P energy: -83.526 bonds (distance) P-C4' energy: -75.128 flat angles C4'-P-C4' energy: -107.210 flat angles P-C4'-P energy: -53.370 tors. eta vs tors. theta energy: -97.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -1225.792032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1225.792032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1225.792032 (E_RNA) where: Base-Base interactions energy: -842.010 where: short stacking energy: -350.942 Base-Backbone interact. energy: 2.334 local terms energy: -386.116313 where: bonds (distance) C4'-P energy: -84.502 bonds (distance) P-C4' energy: -83.614 flat angles C4'-P-C4' energy: -88.126 flat angles P-C4'-P energy: -53.461 tors. eta vs tors. theta energy: -76.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -860.281200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.281200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.281200 (E_RNA) where: Base-Base interactions energy: -522.349 where: short stacking energy: -238.654 Base-Backbone interact. energy: 0.135 local terms energy: -338.067192 where: bonds (distance) C4'-P energy: -88.764 bonds (distance) P-C4' energy: -90.347 flat angles C4'-P-C4' energy: -79.475 flat angles P-C4'-P energy: -36.207 tors. eta vs tors. theta energy: -43.275 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: 2 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -601.948693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.948693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.948693 (E_RNA) where: Base-Base interactions energy: -305.479 where: short stacking energy: -160.581 Base-Backbone interact. energy: -1.132 local terms energy: -295.337036 where: bonds (distance) C4'-P energy: -75.909 bonds (distance) P-C4' energy: -87.734 flat angles C4'-P-C4' energy: -74.249 flat angles P-C4'-P energy: -39.848 tors. eta vs tors. theta energy: -17.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1893.018333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.018333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.018333 (E_RNA) where: Base-Base interactions energy: -1342.256 where: short stacking energy: -545.706 Base-Backbone interact. energy: -3.025 local terms energy: -547.737573 where: bonds (distance) C4'-P energy: -105.259 bonds (distance) P-C4' energy: -105.980 flat angles C4'-P-C4' energy: -107.995 flat angles P-C4'-P energy: -78.539 tors. eta vs tors. theta energy: -149.964 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: 326 Temperature: 0.950000 Total energy: -1738.723462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.723462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.723462 (E_RNA) where: Base-Base interactions energy: -1232.835 where: short stacking energy: -519.607 Base-Backbone interact. energy: -2.106 local terms energy: -503.782645 where: bonds (distance) C4'-P energy: -91.413 bonds (distance) P-C4' energy: -89.432 flat angles C4'-P-C4' energy: -113.071 flat angles P-C4'-P energy: -73.216 tors. eta vs tors. theta energy: -136.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1699.969126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.969126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.969126 (E_RNA) where: Base-Base interactions energy: -1186.484 where: short stacking energy: -512.791 Base-Backbone interact. energy: -4.779 local terms energy: -508.705517 where: bonds (distance) C4'-P energy: -86.383 bonds (distance) P-C4' energy: -94.769 flat angles C4'-P-C4' energy: -111.811 flat angles P-C4'-P energy: -68.564 tors. eta vs tors. theta energy: -147.178 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: 8 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1696.377627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.377627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.377627 (E_RNA) where: Base-Base interactions energy: -1209.903 where: short stacking energy: -509.904 Base-Backbone interact. energy: 0.719 local terms energy: -487.194255 where: bonds (distance) C4'-P energy: -83.635 bonds (distance) P-C4' energy: -93.942 flat angles C4'-P-C4' energy: -98.030 flat angles P-C4'-P energy: -64.899 tors. eta vs tors. theta energy: -146.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -1462.195222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.195222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.195222 (E_RNA) where: Base-Base interactions energy: -1047.266 where: short stacking energy: -422.142 Base-Backbone interact. energy: 3.739 local terms energy: -418.668138 where: bonds (distance) C4'-P energy: -69.104 bonds (distance) P-C4' energy: -64.826 flat angles C4'-P-C4' energy: -98.905 flat angles P-C4'-P energy: -58.850 tors. eta vs tors. theta energy: -126.983 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: 6, replica: 9 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -1345.046885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.046885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.046885 (E_RNA) where: Base-Base interactions energy: -908.707 where: short stacking energy: -399.182 Base-Backbone interact. energy: -1.570 local terms energy: -434.770653 where: bonds (distance) C4'-P energy: -78.943 bonds (distance) P-C4' energy: -91.542 flat angles C4'-P-C4' energy: -97.636 flat angles P-C4'-P energy: -60.200 tors. eta vs tors. theta energy: -106.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -1328.324393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.324393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.324393 (E_RNA) where: Base-Base interactions energy: -910.600 where: short stacking energy: -394.944 Base-Backbone interact. energy: -0.393 local terms energy: -417.331139 where: bonds (distance) C4'-P energy: -68.766 bonds (distance) P-C4' energy: -86.352 flat angles C4'-P-C4' energy: -92.198 flat angles P-C4'-P energy: -57.916 tors. eta vs tors. theta energy: -112.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -1227.935043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.935043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.935043 (E_RNA) where: Base-Base interactions energy: -809.533 where: short stacking energy: -341.221 Base-Backbone interact. energy: 3.990 local terms energy: -422.392418 where: bonds (distance) C4'-P energy: -98.412 bonds (distance) P-C4' energy: -98.593 flat angles C4'-P-C4' energy: -98.730 flat angles P-C4'-P energy: -55.671 tors. eta vs tors. theta energy: -70.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -846.534295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.534295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.534295 (E_RNA) where: Base-Base interactions energy: -515.358 where: short stacking energy: -268.721 Base-Backbone interact. energy: -1.305 local terms energy: -329.871409 where: bonds (distance) C4'-P energy: -74.785 bonds (distance) P-C4' energy: -78.968 flat angles C4'-P-C4' energy: -78.458 flat angles P-C4'-P energy: -47.752 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: 10, replica: 2 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -558.203004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.203004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.203004 (E_RNA) where: Base-Base interactions energy: -290.295 where: short stacking energy: -183.044 Base-Backbone interact. energy: -1.211 local terms energy: -266.696707 where: bonds (distance) C4'-P energy: -77.125 bonds (distance) P-C4' energy: -61.339 flat angles C4'-P-C4' energy: -63.295 flat angles P-C4'-P energy: -51.782 tors. eta vs tors. theta energy: -13.156 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: 6 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1891.161900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.161900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.161900 (E_RNA) where: Base-Base interactions energy: -1336.915 where: short stacking energy: -560.130 Base-Backbone interact. energy: -2.897 local terms energy: -551.349360 where: bonds (distance) C4'-P energy: -97.027 bonds (distance) P-C4' energy: -94.243 flat angles C4'-P-C4' energy: -120.440 flat angles P-C4'-P energy: -81.789 tors. eta vs tors. theta energy: -157.851 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: 5 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1762.926121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.926121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.926121 (E_RNA) where: Base-Base interactions energy: -1239.263 where: short stacking energy: -513.015 Base-Backbone interact. energy: -3.086 local terms energy: -520.577068 where: bonds (distance) C4'-P energy: -100.613 bonds (distance) P-C4' energy: -101.766 flat angles C4'-P-C4' energy: -104.173 flat angles P-C4'-P energy: -72.346 tors. eta vs tors. theta energy: -141.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1661.616116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1661.616116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1661.616116 (E_RNA) where: Base-Base interactions energy: -1165.310 where: short stacking energy: -494.452 Base-Backbone interact. energy: -3.430 local terms energy: -492.876428 where: bonds (distance) C4'-P energy: -90.097 bonds (distance) P-C4' energy: -86.617 flat angles C4'-P-C4' energy: -104.779 flat angles P-C4'-P energy: -79.402 tors. eta vs tors. theta energy: -131.981 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: 8 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1679.506525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.506525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.506525 (E_RNA) where: Base-Base interactions energy: -1196.398 where: short stacking energy: -482.402 Base-Backbone interact. energy: -1.625 local terms energy: -481.483338 where: bonds (distance) C4'-P energy: -87.706 bonds (distance) P-C4' energy: -92.883 flat angles C4'-P-C4' energy: -103.887 flat angles P-C4'-P energy: -66.093 tors. eta vs tors. theta energy: -130.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -1465.707298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1465.707298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1465.707298 (E_RNA) where: Base-Base interactions energy: -1002.470 where: short stacking energy: -421.267 Base-Backbone interact. energy: -2.473 local terms energy: -460.764733 where: bonds (distance) C4'-P energy: -84.190 bonds (distance) P-C4' energy: -92.498 flat angles C4'-P-C4' energy: -107.438 flat angles P-C4'-P energy: -61.809 tors. eta vs tors. theta energy: -114.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -1331.316615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.316615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.316615 (E_RNA) where: Base-Base interactions energy: -907.052 where: short stacking energy: -404.338 Base-Backbone interact. energy: -2.208 local terms energy: -422.056652 where: bonds (distance) C4'-P energy: -80.516 bonds (distance) P-C4' energy: -89.057 flat angles C4'-P-C4' energy: -92.279 flat angles P-C4'-P energy: -66.226 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: 7, replica: 4 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -1271.972218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.972218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.972218 (E_RNA) where: Base-Base interactions energy: -851.429 where: short stacking energy: -400.194 Base-Backbone interact. energy: -2.475 local terms energy: -418.068003 where: bonds (distance) C4'-P energy: -82.420 bonds (distance) P-C4' energy: -71.751 flat angles C4'-P-C4' energy: -96.066 flat angles P-C4'-P energy: -66.373 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: 8, replica: 1 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -1191.787165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.787165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.787165 (E_RNA) where: Base-Base interactions energy: -772.598 where: short stacking energy: -334.123 Base-Backbone interact. energy: -0.947 local terms energy: -418.242630 where: bonds (distance) C4'-P energy: -95.354 bonds (distance) P-C4' energy: -102.153 flat angles C4'-P-C4' energy: -77.841 flat angles P-C4'-P energy: -65.880 tors. eta vs tors. theta energy: -77.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -801.582299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.582299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.582299 (E_RNA) where: Base-Base interactions energy: -487.365 where: short stacking energy: -222.677 Base-Backbone interact. energy: 0.708 local terms energy: -314.925324 where: bonds (distance) C4'-P energy: -80.648 bonds (distance) P-C4' energy: -77.683 flat angles C4'-P-C4' energy: -70.562 flat angles P-C4'-P energy: -52.292 tors. eta vs tors. theta energy: -33.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -538.611062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.611062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.611062 (E_RNA) where: Base-Base interactions energy: -257.327 where: short stacking energy: -159.732 Base-Backbone interact. energy: -1.726 local terms energy: -279.557107 where: bonds (distance) C4'-P energy: -75.335 bonds (distance) P-C4' energy: -89.427 flat angles C4'-P-C4' energy: -66.967 flat angles P-C4'-P energy: -42.591 tors. eta vs tors. theta energy: -5.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1891.020651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.020651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.020651 (E_RNA) where: Base-Base interactions energy: -1334.120 where: short stacking energy: -555.278 Base-Backbone interact. energy: -0.875 local terms energy: -556.025805 where: bonds (distance) C4'-P energy: -96.495 bonds (distance) P-C4' energy: -103.347 flat angles C4'-P-C4' energy: -118.966 flat angles P-C4'-P energy: -80.137 tors. eta vs tors. theta energy: -157.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1771.212756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.212756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.212756 (E_RNA) where: Base-Base interactions energy: -1233.053 where: short stacking energy: -528.139 Base-Backbone interact. energy: -2.563 local terms energy: -535.596813 where: bonds (distance) C4'-P energy: -100.447 bonds (distance) P-C4' energy: -100.798 flat angles C4'-P-C4' energy: -102.562 flat angles P-C4'-P energy: -83.489 tors. eta vs tors. theta energy: -148.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1652.334476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.334476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.334476 (E_RNA) where: Base-Base interactions energy: -1162.920 where: short stacking energy: -475.690 Base-Backbone interact. energy: -2.720 local terms energy: -486.694919 where: bonds (distance) C4'-P energy: -88.398 bonds (distance) P-C4' energy: -90.339 flat angles C4'-P-C4' energy: -101.961 flat angles P-C4'-P energy: -76.034 tors. eta vs tors. theta energy: -129.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1701.261929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.261929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.261929 (E_RNA) where: Base-Base interactions energy: -1187.261 where: short stacking energy: -501.107 Base-Backbone interact. energy: -1.332 local terms energy: -512.668490 where: bonds (distance) C4'-P energy: -85.678 bonds (distance) P-C4' energy: -93.221 flat angles C4'-P-C4' energy: -108.408 flat angles P-C4'-P energy: -75.287 tors. eta vs tors. theta energy: -150.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -1481.523474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.523474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.523474 (E_RNA) where: Base-Base interactions energy: -1020.607 where: short stacking energy: -430.372 Base-Backbone interact. energy: -1.736 local terms energy: -459.180267 where: bonds (distance) C4'-P energy: -95.651 bonds (distance) P-C4' energy: -86.987 flat angles C4'-P-C4' energy: -97.149 flat angles P-C4'-P energy: -67.496 tors. eta vs tors. theta energy: -111.898 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: 6, replica: 9 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -1331.357645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.357645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.357645 (E_RNA) where: Base-Base interactions energy: -906.623 where: short stacking energy: -412.107 Base-Backbone interact. energy: -0.434 local terms energy: -424.301484 where: bonds (distance) C4'-P energy: -79.422 bonds (distance) P-C4' energy: -80.247 flat angles C4'-P-C4' energy: -105.634 flat angles P-C4'-P energy: -57.043 tors. eta vs tors. theta energy: -101.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -1249.128504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.128504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.128504 (E_RNA) where: Base-Base interactions energy: -839.818 where: short stacking energy: -380.826 Base-Backbone interact. energy: -1.739 local terms energy: -407.571063 where: bonds (distance) C4'-P energy: -87.612 bonds (distance) P-C4' energy: -82.626 flat angles C4'-P-C4' energy: -87.020 flat angles P-C4'-P energy: -51.649 tors. eta vs tors. theta energy: -98.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -1144.057418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.057418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.057418 (E_RNA) where: Base-Base interactions energy: -782.481 where: short stacking energy: -362.271 Base-Backbone interact. energy: -2.380 local terms energy: -359.195878 where: bonds (distance) C4'-P energy: -79.673 bonds (distance) P-C4' energy: -75.615 flat angles C4'-P-C4' energy: -91.317 flat angles P-C4'-P energy: -42.668 tors. eta vs tors. theta energy: -69.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -886.891673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.891673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.891673 (E_RNA) where: Base-Base interactions energy: -555.964 where: short stacking energy: -238.988 Base-Backbone interact. energy: -1.086 local terms energy: -329.841593 where: bonds (distance) C4'-P energy: -59.136 bonds (distance) P-C4' energy: -84.433 flat angles C4'-P-C4' energy: -88.212 flat angles P-C4'-P energy: -53.358 tors. eta vs tors. theta energy: -44.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -610.550336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.550336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.550336 (E_RNA) where: Base-Base interactions energy: -337.338 where: short stacking energy: -164.482 Base-Backbone interact. energy: 0.254 local terms energy: -273.465731 where: bonds (distance) C4'-P energy: -70.317 bonds (distance) P-C4' energy: -77.777 flat angles C4'-P-C4' energy: -58.926 flat angles P-C4'-P energy: -56.475 tors. eta vs tors. theta energy: -9.970 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: 6 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1877.583536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.583536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.583536 (E_RNA) where: Base-Base interactions energy: -1317.908 where: short stacking energy: -558.221 Base-Backbone interact. energy: -2.620 local terms energy: -557.055675 where: bonds (distance) C4'-P energy: -97.922 bonds (distance) P-C4' energy: -102.494 flat angles C4'-P-C4' energy: -124.161 flat angles P-C4'-P energy: -72.777 tors. eta vs tors. theta energy: -159.702 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: 5 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1791.238249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.238249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.238249 (E_RNA) where: Base-Base interactions energy: -1270.432 where: short stacking energy: -531.314 Base-Backbone interact. energy: -3.673 local terms energy: -517.132765 where: bonds (distance) C4'-P energy: -88.578 bonds (distance) P-C4' energy: -84.840 flat angles C4'-P-C4' energy: -109.638 flat angles P-C4'-P energy: -80.914 tors. eta vs tors. theta energy: -153.163 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: 3, replica: 3 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1686.065079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.065079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.065079 (E_RNA) where: Base-Base interactions energy: -1185.139 where: short stacking energy: -501.682 Base-Backbone interact. energy: -3.123 local terms energy: -497.803189 where: bonds (distance) C4'-P energy: -100.368 bonds (distance) P-C4' energy: -94.680 flat angles C4'-P-C4' energy: -108.624 flat angles P-C4'-P energy: -60.475 tors. eta vs tors. theta energy: -133.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1670.874906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1670.874906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1670.874906 (E_RNA) where: Base-Base interactions energy: -1171.698 where: short stacking energy: -486.007 Base-Backbone interact. energy: -2.622 local terms energy: -496.554840 where: bonds (distance) C4'-P energy: -87.666 bonds (distance) P-C4' energy: -97.629 flat angles C4'-P-C4' energy: -101.962 flat angles P-C4'-P energy: -74.309 tors. eta vs tors. theta energy: -134.989 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: 7 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -1510.169635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.169635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.169635 (E_RNA) where: Base-Base interactions energy: -1052.172 where: short stacking energy: -446.642 Base-Backbone interact. energy: 1.514 local terms energy: -459.511376 where: bonds (distance) C4'-P energy: -84.279 bonds (distance) P-C4' energy: -88.526 flat angles C4'-P-C4' energy: -103.926 flat angles P-C4'-P energy: -64.437 tors. eta vs tors. theta energy: -118.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -1317.322093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.322093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.322093 (E_RNA) where: Base-Base interactions energy: -902.734 where: short stacking energy: -394.347 Base-Backbone interact. energy: -2.837 local terms energy: -411.751030 where: bonds (distance) C4'-P energy: -74.865 bonds (distance) P-C4' energy: -85.366 flat angles C4'-P-C4' energy: -98.320 flat angles P-C4'-P energy: -53.186 tors. eta vs tors. theta energy: -100.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -1271.566641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.566641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.566641 (E_RNA) where: Base-Base interactions energy: -839.304 where: short stacking energy: -381.284 Base-Backbone interact. energy: -1.373 local terms energy: -430.889344 where: bonds (distance) C4'-P energy: -88.558 bonds (distance) P-C4' energy: -93.642 flat angles C4'-P-C4' energy: -97.078 flat angles P-C4'-P energy: -53.306 tors. eta vs tors. theta energy: -98.307 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: 1 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -1094.591613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.591613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.591613 (E_RNA) where: Base-Base interactions energy: -723.945 where: short stacking energy: -337.487 Base-Backbone interact. energy: -1.140 local terms energy: -369.506084 where: bonds (distance) C4'-P energy: -68.985 bonds (distance) P-C4' energy: -77.270 flat angles C4'-P-C4' energy: -93.591 flat angles P-C4'-P energy: -52.725 tors. eta vs tors. theta energy: -76.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -888.042142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.042142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.042142 (E_RNA) where: Base-Base interactions energy: -529.797 where: short stacking energy: -252.096 Base-Backbone interact. energy: 0.644 local terms energy: -358.889366 where: bonds (distance) C4'-P energy: -71.751 bonds (distance) P-C4' energy: -82.829 flat angles C4'-P-C4' energy: -94.089 flat angles P-C4'-P energy: -60.833 tors. eta vs tors. theta energy: -49.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -705.981534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.981534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.981534 (E_RNA) where: Base-Base interactions energy: -403.985 where: short stacking energy: -184.694 Base-Backbone interact. energy: 8.206 local terms energy: -310.202620 where: bonds (distance) C4'-P energy: -72.465 bonds (distance) P-C4' energy: -91.090 flat angles C4'-P-C4' energy: -78.422 flat angles P-C4'-P energy: -51.607 tors. eta vs tors. theta energy: -16.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1888.912635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.912635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.912635 (E_RNA) where: Base-Base interactions energy: -1322.064 where: short stacking energy: -556.238 Base-Backbone interact. energy: 1.540 local terms energy: -568.388360 where: bonds (distance) C4'-P energy: -100.364 bonds (distance) P-C4' energy: -98.125 flat angles C4'-P-C4' energy: -117.128 flat angles P-C4'-P energy: -94.582 tors. eta vs tors. theta energy: -158.190 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: 5 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1763.029749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.029749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.029749 (E_RNA) where: Base-Base interactions energy: -1233.188 where: short stacking energy: -519.859 Base-Backbone interact. energy: -3.310 local terms energy: -526.531875 where: bonds (distance) C4'-P energy: -87.976 bonds (distance) P-C4' energy: -96.980 flat angles C4'-P-C4' energy: -112.300 flat angles P-C4'-P energy: -86.027 tors. eta vs tors. theta energy: -143.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -1724.800569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.800569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.800569 (E_RNA) where: Base-Base interactions energy: -1220.020 where: short stacking energy: -524.315 Base-Backbone interact. energy: -0.731 local terms energy: -504.049176 where: bonds (distance) C4'-P energy: -80.862 bonds (distance) P-C4' energy: -78.025 flat angles C4'-P-C4' energy: -112.573 flat angles P-C4'-P energy: -79.586 tors. eta vs tors. theta energy: -153.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1604.591139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.591139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.591139 (E_RNA) where: Base-Base interactions energy: -1104.439 where: short stacking energy: -456.490 Base-Backbone interact. energy: -3.951 local terms energy: -496.201472 where: bonds (distance) C4'-P energy: -94.764 bonds (distance) P-C4' energy: -97.593 flat angles C4'-P-C4' energy: -110.279 flat angles P-C4'-P energy: -72.485 tors. eta vs tors. theta energy: -121.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -1498.038944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.038944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.038944 (E_RNA) where: Base-Base interactions energy: -1020.126 where: short stacking energy: -427.131 Base-Backbone interact. energy: -2.200 local terms energy: -475.713445 where: bonds (distance) C4'-P energy: -95.985 bonds (distance) P-C4' energy: -99.317 flat angles C4'-P-C4' energy: -105.944 flat angles P-C4'-P energy: -51.485 tors. eta vs tors. theta energy: -122.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -1362.161685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1362.161685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1362.161685 (E_RNA) where: Base-Base interactions energy: -908.016 where: short stacking energy: -405.415 Base-Backbone interact. energy: 0.825 local terms energy: -454.970439 where: bonds (distance) C4'-P energy: -95.735 bonds (distance) P-C4' energy: -91.987 flat angles C4'-P-C4' energy: -91.968 flat angles P-C4'-P energy: -71.196 tors. eta vs tors. theta energy: -104.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -1279.402969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.402969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.402969 (E_RNA) where: Base-Base interactions energy: -854.901 where: short stacking energy: -376.804 Base-Backbone interact. energy: -1.862 local terms energy: -422.639929 where: bonds (distance) C4'-P energy: -81.019 bonds (distance) P-C4' energy: -84.821 flat angles C4'-P-C4' energy: -87.973 flat angles P-C4'-P energy: -64.644 tors. eta vs tors. theta energy: -104.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -1069.598174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.598174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.598174 (E_RNA) where: Base-Base interactions energy: -695.204 where: short stacking energy: -322.637 Base-Backbone interact. energy: 0.550 local terms energy: -374.944279 where: bonds (distance) C4'-P energy: -76.229 bonds (distance) P-C4' energy: -86.928 flat angles C4'-P-C4' energy: -87.039 flat angles P-C4'-P energy: -56.583 tors. eta vs tors. theta energy: -68.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -855.690251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.690251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.690251 (E_RNA) where: Base-Base interactions energy: -545.740 where: short stacking energy: -265.367 Base-Backbone interact. energy: 0.367 local terms energy: -310.317119 where: bonds (distance) C4'-P energy: -71.126 bonds (distance) P-C4' energy: -72.653 flat angles C4'-P-C4' energy: -79.437 flat angles P-C4'-P energy: -44.860 tors. eta vs tors. theta energy: -42.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -642.487413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.487413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.487413 (E_RNA) where: Base-Base interactions energy: -357.865 where: short stacking energy: -178.288 Base-Backbone interact. energy: 0.629 local terms energy: -285.250976 where: bonds (distance) C4'-P energy: -68.024 bonds (distance) P-C4' energy: -89.996 flat angles C4'-P-C4' energy: -79.374 flat angles P-C4'-P energy: -45.909 tors. eta vs tors. theta energy: -1.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1883.913946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.913946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.913946 (E_RNA) where: Base-Base interactions energy: -1326.421 where: short stacking energy: -551.699 Base-Backbone interact. energy: -0.281 local terms energy: -557.212568 where: bonds (distance) C4'-P energy: -105.997 bonds (distance) P-C4' energy: -96.864 flat angles C4'-P-C4' energy: -113.712 flat angles P-C4'-P energy: -78.935 tors. eta vs tors. theta energy: -161.704 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: 5 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1768.761135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.761135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.761135 (E_RNA) where: Base-Base interactions energy: -1231.597 where: short stacking energy: -531.189 Base-Backbone interact. energy: -1.404 local terms energy: -535.759534 where: bonds (distance) C4'-P energy: -99.147 bonds (distance) P-C4' energy: -92.258 flat angles C4'-P-C4' energy: -106.759 flat angles P-C4'-P energy: -81.500 tors. eta vs tors. theta energy: -156.095 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: 8 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1736.793094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.793094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.793094 (E_RNA) where: Base-Base interactions energy: -1211.809 where: short stacking energy: -494.362 Base-Backbone interact. energy: 0.287 local terms energy: -525.271415 where: bonds (distance) C4'-P energy: -94.185 bonds (distance) P-C4' energy: -96.439 flat angles C4'-P-C4' energy: -106.415 flat angles P-C4'-P energy: -77.367 tors. eta vs tors. theta energy: -150.865 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: 3 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1627.016887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.016887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.016887 (E_RNA) where: Base-Base interactions energy: -1143.000 where: short stacking energy: -490.737 Base-Backbone interact. energy: -0.294 local terms energy: -483.723065 where: bonds (distance) C4'-P energy: -100.421 bonds (distance) P-C4' energy: -85.776 flat angles C4'-P-C4' energy: -106.051 flat angles P-C4'-P energy: -61.508 tors. eta vs tors. theta energy: -129.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -1475.606480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1475.606480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1475.606480 (E_RNA) where: Base-Base interactions energy: -1015.253 where: short stacking energy: -405.116 Base-Backbone interact. energy: -1.625 local terms energy: -458.727727 where: bonds (distance) C4'-P energy: -79.880 bonds (distance) P-C4' energy: -100.503 flat angles C4'-P-C4' energy: -106.482 flat angles P-C4'-P energy: -67.910 tors. eta vs tors. theta energy: -103.953 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: 4 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -1348.315253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.315253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.315253 (E_RNA) where: Base-Base interactions energy: -890.597 where: short stacking energy: -417.861 Base-Backbone interact. energy: -2.185 local terms energy: -455.532625 where: bonds (distance) C4'-P energy: -80.323 bonds (distance) P-C4' energy: -89.334 flat angles C4'-P-C4' energy: -100.119 flat angles P-C4'-P energy: -66.751 tors. eta vs tors. theta energy: -119.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -1276.101719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.101719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.101719 (E_RNA) where: Base-Base interactions energy: -865.004 where: short stacking energy: -365.004 Base-Backbone interact. energy: -0.118 local terms energy: -410.979865 where: bonds (distance) C4'-P energy: -90.101 bonds (distance) P-C4' energy: -86.884 flat angles C4'-P-C4' energy: -89.061 flat angles P-C4'-P energy: -49.975 tors. eta vs tors. theta energy: -94.959 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: 1 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -1040.625549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.625549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.625549 (E_RNA) where: Base-Base interactions energy: -678.551 where: short stacking energy: -300.544 Base-Backbone interact. energy: -0.848 local terms energy: -361.227082 where: bonds (distance) C4'-P energy: -84.874 bonds (distance) P-C4' energy: -79.929 flat angles C4'-P-C4' energy: -88.417 flat angles P-C4'-P energy: -57.157 tors. eta vs tors. theta energy: -50.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -855.823496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.823496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.823496 (E_RNA) where: Base-Base interactions energy: -529.057 where: short stacking energy: -250.576 Base-Backbone interact. energy: -0.701 local terms energy: -326.065436 where: bonds (distance) C4'-P energy: -87.780 bonds (distance) P-C4' energy: -75.217 flat angles C4'-P-C4' energy: -76.680 flat angles P-C4'-P energy: -32.537 tors. eta vs tors. theta energy: -53.851 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: 10, replica: 2 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -651.690039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.690039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.690039 (E_RNA) where: Base-Base interactions energy: -361.692 where: short stacking energy: -206.488 Base-Backbone interact. energy: 4.265 local terms energy: -294.262910 where: bonds (distance) C4'-P energy: -77.852 bonds (distance) P-C4' energy: -73.335 flat angles C4'-P-C4' energy: -79.459 flat angles P-C4'-P energy: -28.577 tors. eta vs tors. theta energy: -35.039 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: 6 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1864.136308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.136308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.136308 (E_RNA) where: Base-Base interactions energy: -1302.225 where: short stacking energy: -552.617 Base-Backbone interact. energy: -1.370 local terms energy: -560.541538 where: bonds (distance) C4'-P energy: -103.712 bonds (distance) P-C4' energy: -102.314 flat angles C4'-P-C4' energy: -123.943 flat angles P-C4'-P energy: -76.355 tors. eta vs tors. theta energy: -154.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1753.947990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.947990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.947990 (E_RNA) where: Base-Base interactions energy: -1234.363 where: short stacking energy: -534.394 Base-Backbone interact. energy: -3.231 local terms energy: -516.354621 where: bonds (distance) C4'-P energy: -90.313 bonds (distance) P-C4' energy: -91.790 flat angles C4'-P-C4' energy: -103.355 flat angles P-C4'-P energy: -76.929 tors. eta vs tors. theta energy: -153.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1723.832853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.832853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.832853 (E_RNA) where: Base-Base interactions energy: -1203.563 where: short stacking energy: -496.277 Base-Backbone interact. energy: -4.232 local terms energy: -516.037769 where: bonds (distance) C4'-P energy: -94.784 bonds (distance) P-C4' energy: -94.857 flat angles C4'-P-C4' energy: -104.387 flat angles P-C4'-P energy: -80.122 tors. eta vs tors. theta energy: -141.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1607.252473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.252473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.252473 (E_RNA) where: Base-Base interactions energy: -1146.492 where: short stacking energy: -497.461 Base-Backbone interact. energy: 1.439 local terms energy: -462.199874 where: bonds (distance) C4'-P energy: -82.907 bonds (distance) P-C4' energy: -93.967 flat angles C4'-P-C4' energy: -88.313 flat angles P-C4'-P energy: -73.189 tors. eta vs tors. theta energy: -123.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -1532.865885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.865885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.865885 (E_RNA) where: Base-Base interactions energy: -1076.714 where: short stacking energy: -436.216 Base-Backbone interact. energy: -4.679 local terms energy: -451.472439 where: bonds (distance) C4'-P energy: -72.520 bonds (distance) P-C4' energy: -92.755 flat angles C4'-P-C4' energy: -96.075 flat angles P-C4'-P energy: -72.210 tors. eta vs tors. theta energy: -117.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -1339.573288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.573288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.573288 (E_RNA) where: Base-Base interactions energy: -918.462 where: short stacking energy: -411.390 Base-Backbone interact. energy: -1.794 local terms energy: -419.317034 where: bonds (distance) C4'-P energy: -72.294 bonds (distance) P-C4' energy: -97.673 flat angles C4'-P-C4' energy: -88.062 flat angles P-C4'-P energy: -49.713 tors. eta vs tors. theta energy: -111.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -1271.803640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1271.803640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1271.803640 (E_RNA) where: Base-Base interactions energy: -853.444 where: short stacking energy: -361.146 Base-Backbone interact. energy: -0.926 local terms energy: -417.433431 where: bonds (distance) C4'-P energy: -81.728 bonds (distance) P-C4' energy: -91.640 flat angles C4'-P-C4' energy: -103.798 flat angles P-C4'-P energy: -54.829 tors. eta vs tors. theta energy: -85.438 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: 1 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -1025.443998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.443998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.443998 (E_RNA) where: Base-Base interactions energy: -646.442 where: short stacking energy: -306.099 Base-Backbone interact. energy: 0.511 local terms energy: -379.513531 where: bonds (distance) C4'-P energy: -73.861 bonds (distance) P-C4' energy: -88.592 flat angles C4'-P-C4' energy: -83.723 flat angles P-C4'-P energy: -59.858 tors. eta vs tors. theta energy: -73.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -855.150638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.150638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.150638 (E_RNA) where: Base-Base interactions energy: -537.134 where: short stacking energy: -245.000 Base-Backbone interact. energy: 1.617 local terms energy: -319.634561 where: bonds (distance) C4'-P energy: -84.475 bonds (distance) P-C4' energy: -81.236 flat angles C4'-P-C4' energy: -75.335 flat angles P-C4'-P energy: -46.483 tors. eta vs tors. theta energy: -32.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -653.560519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.560519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.560519 (E_RNA) where: Base-Base interactions energy: -361.822 where: short stacking energy: -182.158 Base-Backbone interact. energy: -2.452 local terms energy: -289.285940 where: bonds (distance) C4'-P energy: -90.943 bonds (distance) P-C4' energy: -83.965 flat angles C4'-P-C4' energy: -68.585 flat angles P-C4'-P energy: -39.026 tors. eta vs tors. theta energy: -6.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1874.215460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.215460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.215460 (E_RNA) where: Base-Base interactions energy: -1332.310 where: short stacking energy: -556.691 Base-Backbone interact. energy: -1.487 local terms energy: -540.418835 where: bonds (distance) C4'-P energy: -91.405 bonds (distance) P-C4' energy: -88.579 flat angles C4'-P-C4' energy: -118.822 flat angles P-C4'-P energy: -81.707 tors. eta vs tors. theta energy: -159.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1748.557449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.557449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.557449 (E_RNA) where: Base-Base interactions energy: -1208.200 where: short stacking energy: -542.466 Base-Backbone interact. energy: -0.798 local terms energy: -539.558876 where: bonds (distance) C4'-P energy: -104.536 bonds (distance) P-C4' energy: -94.688 flat angles C4'-P-C4' energy: -115.528 flat angles P-C4'-P energy: -72.803 tors. eta vs tors. theta energy: -152.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1728.567116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.567116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.567116 (E_RNA) where: Base-Base interactions energy: -1211.204 where: short stacking energy: -526.161 Base-Backbone interact. energy: -2.362 local terms energy: -515.001179 where: bonds (distance) C4'-P energy: -86.265 bonds (distance) P-C4' energy: -99.885 flat angles C4'-P-C4' energy: -106.033 flat angles P-C4'-P energy: -73.791 tors. eta vs tors. theta energy: -149.028 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: 3 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1607.767507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1607.767507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1607.767507 (E_RNA) where: Base-Base interactions energy: -1114.791 where: short stacking energy: -472.729 Base-Backbone interact. energy: 4.073 local terms energy: -497.050389 where: bonds (distance) C4'-P energy: -101.136 bonds (distance) P-C4' energy: -99.830 flat angles C4'-P-C4' energy: -106.418 flat angles P-C4'-P energy: -64.634 tors. eta vs tors. theta energy: -125.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -1521.505099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1521.505099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1521.505099 (E_RNA) where: Base-Base interactions energy: -1063.539 where: short stacking energy: -452.591 Base-Backbone interact. energy: -1.795 local terms energy: -456.170771 where: bonds (distance) C4'-P energy: -86.915 bonds (distance) P-C4' energy: -89.433 flat angles C4'-P-C4' energy: -104.257 flat angles P-C4'-P energy: -52.154 tors. eta vs tors. theta energy: -123.411 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: 4 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -1345.700710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.700710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.700710 (E_RNA) where: Base-Base interactions energy: -913.779 where: short stacking energy: -383.868 Base-Backbone interact. energy: 3.248 local terms energy: -435.169843 where: bonds (distance) C4'-P energy: -79.759 bonds (distance) P-C4' energy: -78.753 flat angles C4'-P-C4' energy: -98.125 flat angles P-C4'-P energy: -72.845 tors. eta vs tors. theta energy: -105.688 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: 9 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -1291.513573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1291.513573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1291.513573 (E_RNA) where: Base-Base interactions energy: -883.960 where: short stacking energy: -392.657 Base-Backbone interact. energy: -1.938 local terms energy: -405.614763 where: bonds (distance) C4'-P energy: -74.640 bonds (distance) P-C4' energy: -77.417 flat angles C4'-P-C4' energy: -102.575 flat angles P-C4'-P energy: -52.643 tors. eta vs tors. theta energy: -98.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -998.360968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.360968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.360968 (E_RNA) where: Base-Base interactions energy: -650.226 where: short stacking energy: -295.342 Base-Backbone interact. energy: 4.967 local terms energy: -353.102306 where: bonds (distance) C4'-P energy: -77.345 bonds (distance) P-C4' energy: -91.753 flat angles C4'-P-C4' energy: -81.309 flat angles P-C4'-P energy: -47.985 tors. eta vs tors. theta energy: -54.710 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: 333 Temperature: 1.300000 Total energy: -836.969806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.969806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.969806 (E_RNA) where: Base-Base interactions energy: -486.427 where: short stacking energy: -252.240 Base-Backbone interact. energy: -1.718 local terms energy: -348.825181 where: bonds (distance) C4'-P energy: -88.612 bonds (distance) P-C4' energy: -78.660 flat angles C4'-P-C4' energy: -73.455 flat angles P-C4'-P energy: -51.292 tors. eta vs tors. theta energy: -56.807 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: 2 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -712.539988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.539988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.539988 (E_RNA) where: Base-Base interactions energy: -421.282 where: short stacking energy: -197.588 Base-Backbone interact. energy: 0.394 local terms energy: -291.651963 where: bonds (distance) C4'-P energy: -70.825 bonds (distance) P-C4' energy: -86.154 flat angles C4'-P-C4' energy: -78.145 flat angles P-C4'-P energy: -39.057 tors. eta vs tors. theta energy: -17.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1877.593677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.593677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.593677 (E_RNA) where: Base-Base interactions energy: -1327.189 where: short stacking energy: -574.200 Base-Backbone interact. energy: -1.289 local terms energy: -549.115731 where: bonds (distance) C4'-P energy: -99.219 bonds (distance) P-C4' energy: -90.970 flat angles C4'-P-C4' energy: -116.500 flat angles P-C4'-P energy: -81.142 tors. eta vs tors. theta energy: -161.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1744.211128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.211128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.211128 (E_RNA) where: Base-Base interactions energy: -1209.387 where: short stacking energy: -528.614 Base-Backbone interact. energy: -2.464 local terms energy: -532.359281 where: bonds (distance) C4'-P energy: -106.032 bonds (distance) P-C4' energy: -104.252 flat angles C4'-P-C4' energy: -102.306 flat angles P-C4'-P energy: -77.699 tors. eta vs tors. theta energy: -142.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1753.219476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.219476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.219476 (E_RNA) where: Base-Base interactions energy: -1235.034 where: short stacking energy: -520.634 Base-Backbone interact. energy: -0.729 local terms energy: -517.456747 where: bonds (distance) C4'-P energy: -90.818 bonds (distance) P-C4' energy: -97.257 flat angles C4'-P-C4' energy: -110.645 flat angles P-C4'-P energy: -74.590 tors. eta vs tors. theta energy: -144.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -1597.623323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.623323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.623323 (E_RNA) where: Base-Base interactions energy: -1113.069 where: short stacking energy: -472.286 Base-Backbone interact. energy: -2.568 local terms energy: -481.986225 where: bonds (distance) C4'-P energy: -85.515 bonds (distance) P-C4' energy: -88.297 flat angles C4'-P-C4' energy: -103.790 flat angles P-C4'-P energy: -69.475 tors. eta vs tors. theta energy: -134.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -1500.562443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.562443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.562443 (E_RNA) where: Base-Base interactions energy: -1049.989 where: short stacking energy: -429.067 Base-Backbone interact. energy: -1.967 local terms energy: -448.607284 where: bonds (distance) C4'-P energy: -85.185 bonds (distance) P-C4' energy: -82.899 flat angles C4'-P-C4' energy: -104.558 flat angles P-C4'-P energy: -73.474 tors. eta vs tors. theta energy: -102.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -1357.448883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.448883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.448883 (E_RNA) where: Base-Base interactions energy: -901.571 where: short stacking energy: -399.863 Base-Backbone interact. energy: -0.103 local terms energy: -455.775321 where: bonds (distance) C4'-P energy: -80.216 bonds (distance) P-C4' energy: -102.685 flat angles C4'-P-C4' energy: -96.336 flat angles P-C4'-P energy: -63.059 tors. eta vs tors. theta energy: -113.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -1265.859935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.859935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.859935 (E_RNA) where: Base-Base interactions energy: -867.376 where: short stacking energy: -370.393 Base-Backbone interact. energy: -1.053 local terms energy: -397.431128 where: bonds (distance) C4'-P energy: -97.289 bonds (distance) P-C4' energy: -82.785 flat angles C4'-P-C4' energy: -90.471 flat angles P-C4'-P energy: -49.662 tors. eta vs tors. theta energy: -77.223 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: 1 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -1006.216951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.216951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.216951 (E_RNA) where: Base-Base interactions energy: -648.925 where: short stacking energy: -299.554 Base-Backbone interact. energy: -0.813 local terms energy: -356.479415 where: bonds (distance) C4'-P energy: -94.668 bonds (distance) P-C4' energy: -71.106 flat angles C4'-P-C4' energy: -90.383 flat angles P-C4'-P energy: -40.300 tors. eta vs tors. theta energy: -60.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -823.616210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.616210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.616210 (E_RNA) where: Base-Base interactions energy: -514.587 where: short stacking energy: -249.566 Base-Backbone interact. energy: -1.839 local terms energy: -307.190934 where: bonds (distance) C4'-P energy: -57.589 bonds (distance) P-C4' energy: -78.837 flat angles C4'-P-C4' energy: -69.532 flat angles P-C4'-P energy: -45.224 tors. eta vs tors. theta energy: -56.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -705.059851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.059851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.059851 (E_RNA) where: Base-Base interactions energy: -412.472 where: short stacking energy: -205.821 Base-Backbone interact. energy: 1.133 local terms energy: -293.720139 where: bonds (distance) C4'-P energy: -67.414 bonds (distance) P-C4' energy: -86.928 flat angles C4'-P-C4' energy: -87.503 flat angles P-C4'-P energy: -40.039 tors. eta vs tors. theta energy: -11.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1864.899597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.899597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.899597 (E_RNA) where: Base-Base interactions energy: -1329.221 where: short stacking energy: -543.856 Base-Backbone interact. energy: -0.579 local terms energy: -535.100144 where: bonds (distance) C4'-P energy: -86.658 bonds (distance) P-C4' energy: -96.763 flat angles C4'-P-C4' energy: -110.833 flat angles P-C4'-P energy: -83.136 tors. eta vs tors. theta energy: -157.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1758.727411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.727411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.727411 (E_RNA) where: Base-Base interactions energy: -1220.840 where: short stacking energy: -530.776 Base-Backbone interact. energy: -2.897 local terms energy: -534.991330 where: bonds (distance) C4'-P energy: -100.752 bonds (distance) P-C4' energy: -97.522 flat angles C4'-P-C4' energy: -109.349 flat angles P-C4'-P energy: -78.138 tors. eta vs tors. theta energy: -149.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1751.447977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.447977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.447977 (E_RNA) where: Base-Base interactions energy: -1227.068 where: short stacking energy: -523.599 Base-Backbone interact. energy: -3.066 local terms energy: -521.314062 where: bonds (distance) C4'-P energy: -100.470 bonds (distance) P-C4' energy: -98.427 flat angles C4'-P-C4' energy: -105.074 flat angles P-C4'-P energy: -66.887 tors. eta vs tors. theta energy: -150.456 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: 3 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1641.782609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.782609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.782609 (E_RNA) where: Base-Base interactions energy: -1143.661 where: short stacking energy: -478.882 Base-Backbone interact. energy: -0.236 local terms energy: -497.885581 where: bonds (distance) C4'-P energy: -89.227 bonds (distance) P-C4' energy: -91.399 flat angles C4'-P-C4' energy: -105.176 flat angles P-C4'-P energy: -82.589 tors. eta vs tors. theta energy: -129.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -1492.303685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.303685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.303685 (E_RNA) where: Base-Base interactions energy: -1057.049 where: short stacking energy: -432.119 Base-Backbone interact. energy: -2.159 local terms energy: -433.095330 where: bonds (distance) C4'-P energy: -76.465 bonds (distance) P-C4' energy: -82.799 flat angles C4'-P-C4' energy: -101.042 flat angles P-C4'-P energy: -57.860 tors. eta vs tors. theta energy: -114.930 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: 6, replica: 4 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -1309.206066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1309.206066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1309.206066 (E_RNA) where: Base-Base interactions energy: -878.380 where: short stacking energy: -400.592 Base-Backbone interact. energy: 1.048 local terms energy: -431.873546 where: bonds (distance) C4'-P energy: -93.400 bonds (distance) P-C4' energy: -86.111 flat angles C4'-P-C4' energy: -86.934 flat angles P-C4'-P energy: -60.879 tors. eta vs tors. theta energy: -104.548 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: 9 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -1288.318318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.318318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.318318 (E_RNA) where: Base-Base interactions energy: -873.057 where: short stacking energy: -386.848 Base-Backbone interact. energy: -1.663 local terms energy: -413.598177 where: bonds (distance) C4'-P energy: -79.971 bonds (distance) P-C4' energy: -83.995 flat angles C4'-P-C4' energy: -87.204 flat angles P-C4'-P energy: -58.987 tors. eta vs tors. theta energy: -103.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -1040.956968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.956968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.956968 (E_RNA) where: Base-Base interactions energy: -662.411 where: short stacking energy: -302.986 Base-Backbone interact. energy: -1.956 local terms energy: -376.589506 where: bonds (distance) C4'-P energy: -92.916 bonds (distance) P-C4' energy: -80.000 flat angles C4'-P-C4' energy: -85.039 flat angles P-C4'-P energy: -62.955 tors. eta vs tors. theta energy: -55.680 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: 335 Temperature: 1.300000 Total energy: -791.213697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.213697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.213697 (E_RNA) where: Base-Base interactions energy: -450.143 where: short stacking energy: -210.369 Base-Backbone interact. energy: 4.393 local terms energy: -345.463748 where: bonds (distance) C4'-P energy: -72.898 bonds (distance) P-C4' energy: -89.176 flat angles C4'-P-C4' energy: -89.638 flat angles P-C4'-P energy: -56.214 tors. eta vs tors. theta energy: -37.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -710.821816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.821816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.821816 (E_RNA) where: Base-Base interactions energy: -420.642 where: short stacking energy: -211.804 Base-Backbone interact. energy: -2.968 local terms energy: -287.211820 where: bonds (distance) C4'-P energy: -60.923 bonds (distance) P-C4' energy: -78.703 flat angles C4'-P-C4' energy: -73.369 flat angles P-C4'-P energy: -49.235 tors. eta vs tors. theta energy: -24.983 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: 6 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1856.933857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.933857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.933857 (E_RNA) where: Base-Base interactions energy: -1323.989 where: short stacking energy: -549.303 Base-Backbone interact. energy: -3.699 local terms energy: -529.245578 where: bonds (distance) C4'-P energy: -95.593 bonds (distance) P-C4' energy: -101.043 flat angles C4'-P-C4' energy: -115.749 flat angles P-C4'-P energy: -65.044 tors. eta vs tors. theta energy: -151.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1773.846203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.846203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.846203 (E_RNA) where: Base-Base interactions energy: -1264.266 where: short stacking energy: -539.615 Base-Backbone interact. energy: -3.569 local terms energy: -506.011745 where: bonds (distance) C4'-P energy: -83.909 bonds (distance) P-C4' energy: -79.826 flat angles C4'-P-C4' energy: -111.883 flat angles P-C4'-P energy: -76.329 tors. eta vs tors. theta energy: -154.064 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: 8 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1706.706204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.706204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.706204 (E_RNA) where: Base-Base interactions energy: -1212.191 where: short stacking energy: -517.110 Base-Backbone interact. energy: -1.795 local terms energy: -492.720366 where: bonds (distance) C4'-P energy: -70.009 bonds (distance) P-C4' energy: -95.193 flat angles C4'-P-C4' energy: -107.228 flat angles P-C4'-P energy: -73.139 tors. eta vs tors. theta energy: -147.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -1638.343387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.343387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.343387 (E_RNA) where: Base-Base interactions energy: -1145.001 where: short stacking energy: -481.050 Base-Backbone interact. energy: -3.406 local terms energy: -489.935879 where: bonds (distance) C4'-P energy: -84.382 bonds (distance) P-C4' energy: -95.806 flat angles C4'-P-C4' energy: -99.837 flat angles P-C4'-P energy: -75.516 tors. eta vs tors. theta energy: -134.394 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: 7 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -1536.561460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.561460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.561460 (E_RNA) where: Base-Base interactions energy: -1071.494 where: short stacking energy: -471.540 Base-Backbone interact. energy: 2.388 local terms energy: -467.456221 where: bonds (distance) C4'-P energy: -89.232 bonds (distance) P-C4' energy: -90.377 flat angles C4'-P-C4' energy: -98.853 flat angles P-C4'-P energy: -62.012 tors. eta vs tors. theta energy: -126.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -1329.363298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.363298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.363298 (E_RNA) where: Base-Base interactions energy: -896.412 where: short stacking energy: -406.114 Base-Backbone interact. energy: -1.810 local terms energy: -431.141731 where: bonds (distance) C4'-P energy: -70.820 bonds (distance) P-C4' energy: -81.190 flat angles C4'-P-C4' energy: -101.011 flat angles P-C4'-P energy: -66.127 tors. eta vs tors. theta energy: -111.994 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: 9 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -1285.797825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.797825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.797825 (E_RNA) where: Base-Base interactions energy: -872.728 where: short stacking energy: -385.290 Base-Backbone interact. energy: 0.811 local terms energy: -413.881814 where: bonds (distance) C4'-P energy: -82.972 bonds (distance) P-C4' energy: -70.265 flat angles C4'-P-C4' energy: -98.142 flat angles P-C4'-P energy: -68.826 tors. eta vs tors. theta energy: -93.677 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: 1 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -1043.727730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.727730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.727730 (E_RNA) where: Base-Base interactions energy: -669.611 where: short stacking energy: -294.945 Base-Backbone interact. energy: 0.210 local terms energy: -374.326545 where: bonds (distance) C4'-P energy: -75.058 bonds (distance) P-C4' energy: -93.849 flat angles C4'-P-C4' energy: -87.030 flat angles P-C4'-P energy: -54.997 tors. eta vs tors. theta energy: -63.393 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: 336 Temperature: 1.300000 Total energy: -863.512180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.512180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.512180 (E_RNA) where: Base-Base interactions energy: -542.920 where: short stacking energy: -243.286 Base-Backbone interact. energy: -1.836 local terms energy: -318.756063 where: bonds (distance) C4'-P energy: -73.450 bonds (distance) P-C4' energy: -87.628 flat angles C4'-P-C4' energy: -81.944 flat angles P-C4'-P energy: -34.502 tors. eta vs tors. theta energy: -41.232 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: 10, replica: 2 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -787.425471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.425471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.425471 (E_RNA) where: Base-Base interactions energy: -499.654 where: short stacking energy: -219.003 Base-Backbone interact. energy: -1.520 local terms energy: -286.250977 where: bonds (distance) C4'-P energy: -80.580 bonds (distance) P-C4' energy: -87.975 flat angles C4'-P-C4' energy: -68.332 flat angles P-C4'-P energy: -23.648 tors. eta vs tors. theta energy: -25.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1862.792087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.792087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.792087 (E_RNA) where: Base-Base interactions energy: -1309.177 where: short stacking energy: -541.249 Base-Backbone interact. energy: -2.960 local terms energy: -550.655414 where: bonds (distance) C4'-P energy: -99.152 bonds (distance) P-C4' energy: -104.443 flat angles C4'-P-C4' energy: -114.346 flat angles P-C4'-P energy: -79.437 tors. eta vs tors. theta energy: -153.277 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: 5 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1779.245909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.245909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.245909 (E_RNA) where: Base-Base interactions energy: -1237.255 where: short stacking energy: -510.960 Base-Backbone interact. energy: -2.371 local terms energy: -539.619717 where: bonds (distance) C4'-P energy: -103.926 bonds (distance) P-C4' energy: -102.462 flat angles C4'-P-C4' energy: -108.166 flat angles P-C4'-P energy: -76.407 tors. eta vs tors. theta energy: -148.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1713.517777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1713.517777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1713.517777 (E_RNA) where: Base-Base interactions energy: -1189.783 where: short stacking energy: -524.311 Base-Backbone interact. energy: -1.925 local terms energy: -521.809798 where: bonds (distance) C4'-P energy: -96.578 bonds (distance) P-C4' energy: -88.690 flat angles C4'-P-C4' energy: -115.087 flat angles P-C4'-P energy: -81.687 tors. eta vs tors. theta energy: -139.767 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: 4, replica: 3 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -1625.969156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.969156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.969156 (E_RNA) where: Base-Base interactions energy: -1126.249 where: short stacking energy: -476.691 Base-Backbone interact. energy: -3.216 local terms energy: -496.504557 where: bonds (distance) C4'-P energy: -96.623 bonds (distance) P-C4' energy: -79.199 flat angles C4'-P-C4' energy: -111.960 flat angles P-C4'-P energy: -73.708 tors. eta vs tors. theta energy: -135.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -1491.056023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1491.056023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1491.056023 (E_RNA) where: Base-Base interactions energy: -1005.481 where: short stacking energy: -430.709 Base-Backbone interact. energy: -0.578 local terms energy: -484.997497 where: bonds (distance) C4'-P energy: -94.937 bonds (distance) P-C4' energy: -87.221 flat angles C4'-P-C4' energy: -106.188 flat angles P-C4'-P energy: -76.295 tors. eta vs tors. theta energy: -120.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -1314.205837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.205837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.205837 (E_RNA) where: Base-Base interactions energy: -874.302 where: short stacking energy: -393.251 Base-Backbone interact. energy: -2.170 local terms energy: -437.734212 where: bonds (distance) C4'-P energy: -81.345 bonds (distance) P-C4' energy: -80.189 flat angles C4'-P-C4' energy: -98.881 flat angles P-C4'-P energy: -70.500 tors. eta vs tors. theta energy: -106.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -1342.199568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1342.199568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1342.199568 (E_RNA) where: Base-Base interactions energy: -933.259 where: short stacking energy: -414.762 Base-Backbone interact. energy: 3.699 local terms energy: -412.640232 where: bonds (distance) C4'-P energy: -82.942 bonds (distance) P-C4' energy: -79.962 flat angles C4'-P-C4' energy: -88.289 flat angles P-C4'-P energy: -57.408 tors. eta vs tors. theta energy: -104.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -1043.874276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.874276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.874276 (E_RNA) where: Base-Base interactions energy: -703.689 where: short stacking energy: -321.914 Base-Backbone interact. energy: 2.512 local terms energy: -342.696408 where: bonds (distance) C4'-P energy: -79.606 bonds (distance) P-C4' energy: -72.870 flat angles C4'-P-C4' energy: -83.377 flat angles P-C4'-P energy: -46.424 tors. eta vs tors. theta energy: -60.420 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: 10 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -898.610882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.610882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.610882 (E_RNA) where: Base-Base interactions energy: -559.071 where: short stacking energy: -277.163 Base-Backbone interact. energy: -2.372 local terms energy: -337.167808 where: bonds (distance) C4'-P energy: -68.764 bonds (distance) P-C4' energy: -90.973 flat angles C4'-P-C4' energy: -89.065 flat angles P-C4'-P energy: -41.525 tors. eta vs tors. theta energy: -46.840 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: 2 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -806.112031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.112031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.112031 (E_RNA) where: Base-Base interactions energy: -523.931 where: short stacking energy: -241.312 Base-Backbone interact. energy: -1.024 local terms energy: -281.156955 where: bonds (distance) C4'-P energy: -75.970 bonds (distance) P-C4' energy: -80.579 flat angles C4'-P-C4' energy: -64.150 flat angles P-C4'-P energy: -39.651 tors. eta vs tors. theta energy: -20.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1881.738873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.738873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.738873 (E_RNA) where: Base-Base interactions energy: -1328.155 where: short stacking energy: -544.524 Base-Backbone interact. energy: -3.337 local terms energy: -550.246388 where: bonds (distance) C4'-P energy: -92.296 bonds (distance) P-C4' energy: -108.383 flat angles C4'-P-C4' energy: -110.767 flat angles P-C4'-P energy: -85.838 tors. eta vs tors. theta energy: -152.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1782.167361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.167361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.167361 (E_RNA) where: Base-Base interactions energy: -1250.128 where: short stacking energy: -522.215 Base-Backbone interact. energy: -3.291 local terms energy: -528.748511 where: bonds (distance) C4'-P energy: -97.494 bonds (distance) P-C4' energy: -100.326 flat angles C4'-P-C4' energy: -106.715 flat angles P-C4'-P energy: -75.519 tors. eta vs tors. theta energy: -148.694 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: 8 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1696.897406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.897406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.897406 (E_RNA) where: Base-Base interactions energy: -1175.818 where: short stacking energy: -504.201 Base-Backbone interact. energy: -1.185 local terms energy: -519.894174 where: bonds (distance) C4'-P energy: -96.402 bonds (distance) P-C4' energy: -100.952 flat angles C4'-P-C4' energy: -110.237 flat angles P-C4'-P energy: -72.344 tors. eta vs tors. theta energy: -139.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1619.050078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.050078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.050078 (E_RNA) where: Base-Base interactions energy: -1128.140 where: short stacking energy: -464.697 Base-Backbone interact. energy: -1.623 local terms energy: -489.286935 where: bonds (distance) C4'-P energy: -86.013 bonds (distance) P-C4' energy: -92.010 flat angles C4'-P-C4' energy: -99.481 flat angles P-C4'-P energy: -75.153 tors. eta vs tors. theta energy: -136.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -1452.992312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1452.992312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1452.992312 (E_RNA) where: Base-Base interactions energy: -994.649 where: short stacking energy: -419.574 Base-Backbone interact. energy: -2.873 local terms energy: -455.471047 where: bonds (distance) C4'-P energy: -82.760 bonds (distance) P-C4' energy: -90.195 flat angles C4'-P-C4' energy: -103.411 flat angles P-C4'-P energy: -69.148 tors. eta vs tors. theta energy: -109.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -1306.946378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.946378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.946378 (E_RNA) where: Base-Base interactions energy: -871.954 where: short stacking energy: -388.669 Base-Backbone interact. energy: 0.096 local terms energy: -435.087946 where: bonds (distance) C4'-P energy: -84.873 bonds (distance) P-C4' energy: -80.422 flat angles C4'-P-C4' energy: -101.802 flat angles P-C4'-P energy: -61.907 tors. eta vs tors. theta energy: -106.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -1374.976191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.976191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.976191 (E_RNA) where: Base-Base interactions energy: -942.488 where: short stacking energy: -414.680 Base-Backbone interact. energy: 3.564 local terms energy: -436.051825 where: bonds (distance) C4'-P energy: -92.490 bonds (distance) P-C4' energy: -77.540 flat angles C4'-P-C4' energy: -88.329 flat angles P-C4'-P energy: -67.084 tors. eta vs tors. theta energy: -110.609 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: 8, replica: 1 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -1007.149125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.149125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.149125 (E_RNA) where: Base-Base interactions energy: -629.937 where: short stacking energy: -300.421 Base-Backbone interact. energy: -1.327 local terms energy: -375.885128 where: bonds (distance) C4'-P energy: -100.505 bonds (distance) P-C4' energy: -85.877 flat angles C4'-P-C4' energy: -76.192 flat angles P-C4'-P energy: -55.808 tors. eta vs tors. theta energy: -57.503 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: 9, replica: 10 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -905.250119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.250119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.250119 (E_RNA) where: Base-Base interactions energy: -561.355 where: short stacking energy: -260.573 Base-Backbone interact. energy: 1.134 local terms energy: -345.029212 where: bonds (distance) C4'-P energy: -84.099 bonds (distance) P-C4' energy: -84.492 flat angles C4'-P-C4' energy: -74.055 flat angles P-C4'-P energy: -50.407 tors. eta vs tors. theta energy: -51.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -771.833947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.833947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.833947 (E_RNA) where: Base-Base interactions energy: -501.611 where: short stacking energy: -225.091 Base-Backbone interact. energy: 0.508 local terms energy: -270.730846 where: bonds (distance) C4'-P energy: -85.743 bonds (distance) P-C4' energy: -66.998 flat angles C4'-P-C4' energy: -62.144 flat angles P-C4'-P energy: -39.221 tors. eta vs tors. theta energy: -16.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1888.727730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.727730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.727730 (E_RNA) where: Base-Base interactions energy: -1339.702 where: short stacking energy: -550.390 Base-Backbone interact. energy: -4.369 local terms energy: -544.656821 where: bonds (distance) C4'-P energy: -106.069 bonds (distance) P-C4' energy: -91.219 flat angles C4'-P-C4' energy: -125.730 flat angles P-C4'-P energy: -66.987 tors. eta vs tors. theta energy: -154.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1768.819854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.819854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.819854 (E_RNA) where: Base-Base interactions energy: -1225.389 where: short stacking energy: -528.865 Base-Backbone interact. energy: -2.646 local terms energy: -540.784969 where: bonds (distance) C4'-P energy: -97.912 bonds (distance) P-C4' energy: -96.944 flat angles C4'-P-C4' energy: -118.227 flat angles P-C4'-P energy: -75.036 tors. eta vs tors. theta energy: -152.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1696.701936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.701936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.701936 (E_RNA) where: Base-Base interactions energy: -1215.694 where: short stacking energy: -514.014 Base-Backbone interact. energy: 0.671 local terms energy: -481.679346 where: bonds (distance) C4'-P energy: -85.700 bonds (distance) P-C4' energy: -74.242 flat angles C4'-P-C4' energy: -101.990 flat angles P-C4'-P energy: -77.145 tors. eta vs tors. theta energy: -142.602 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: 3 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1596.405806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.405806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.405806 (E_RNA) where: Base-Base interactions energy: -1136.142 where: short stacking energy: -472.298 Base-Backbone interact. energy: -1.171 local terms energy: -459.093090 where: bonds (distance) C4'-P energy: -73.937 bonds (distance) P-C4' energy: -82.488 flat angles C4'-P-C4' energy: -103.511 flat angles P-C4'-P energy: -70.672 tors. eta vs tors. theta energy: -128.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -1447.629713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1447.629713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1447.629713 (E_RNA) where: Base-Base interactions energy: -1005.500 where: short stacking energy: -426.899 Base-Backbone interact. energy: -1.494 local terms energy: -440.635991 where: bonds (distance) C4'-P energy: -81.578 bonds (distance) P-C4' energy: -80.540 flat angles C4'-P-C4' energy: -103.984 flat angles P-C4'-P energy: -70.995 tors. eta vs tors. theta energy: -103.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -1351.116226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.116226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.116226 (E_RNA) where: Base-Base interactions energy: -899.581 where: short stacking energy: -424.442 Base-Backbone interact. energy: -0.930 local terms energy: -450.604759 where: bonds (distance) C4'-P energy: -81.081 bonds (distance) P-C4' energy: -86.172 flat angles C4'-P-C4' energy: -102.213 flat angles P-C4'-P energy: -59.200 tors. eta vs tors. theta energy: -121.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -1287.782679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1287.782679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1287.782679 (E_RNA) where: Base-Base interactions energy: -889.854 where: short stacking energy: -383.313 Base-Backbone interact. energy: -1.763 local terms energy: -396.165392 where: bonds (distance) C4'-P energy: -82.223 bonds (distance) P-C4' energy: -72.945 flat angles C4'-P-C4' energy: -92.301 flat angles P-C4'-P energy: -55.315 tors. eta vs tors. theta energy: -93.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -1034.496066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.496066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.496066 (E_RNA) where: Base-Base interactions energy: -656.417 where: short stacking energy: -318.038 Base-Backbone interact. energy: -1.619 local terms energy: -376.460139 where: bonds (distance) C4'-P energy: -81.387 bonds (distance) P-C4' energy: -82.557 flat angles C4'-P-C4' energy: -86.053 flat angles P-C4'-P energy: -56.265 tors. eta vs tors. theta energy: -70.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -809.268196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.268196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.268196 (E_RNA) where: Base-Base interactions energy: -498.941 where: short stacking energy: -220.210 Base-Backbone interact. energy: -2.006 local terms energy: -308.321345 where: bonds (distance) C4'-P energy: -73.116 bonds (distance) P-C4' energy: -83.135 flat angles C4'-P-C4' energy: -71.763 flat angles P-C4'-P energy: -52.770 tors. eta vs tors. theta energy: -27.537 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: 2 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -773.412364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.412364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.412364 (E_RNA) where: Base-Base interactions energy: -475.476 where: short stacking energy: -224.193 Base-Backbone interact. energy: -0.124 local terms energy: -297.812967 where: bonds (distance) C4'-P energy: -81.525 bonds (distance) P-C4' energy: -87.471 flat angles C4'-P-C4' energy: -75.849 flat angles P-C4'-P energy: -40.009 tors. eta vs tors. theta energy: -12.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1880.572695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.572695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.572695 (E_RNA) where: Base-Base interactions energy: -1331.488 where: short stacking energy: -556.848 Base-Backbone interact. energy: -2.486 local terms energy: -546.598753 where: bonds (distance) C4'-P energy: -95.511 bonds (distance) P-C4' energy: -100.804 flat angles C4'-P-C4' energy: -121.089 flat angles P-C4'-P energy: -75.412 tors. eta vs tors. theta energy: -153.782 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: 5 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1771.647427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.647427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.647427 (E_RNA) where: Base-Base interactions energy: -1257.820 where: short stacking energy: -537.938 Base-Backbone interact. energy: 1.164 local terms energy: -514.991150 where: bonds (distance) C4'-P energy: -89.313 bonds (distance) P-C4' energy: -91.949 flat angles C4'-P-C4' energy: -110.799 flat angles P-C4'-P energy: -79.056 tors. eta vs tors. theta energy: -143.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1727.326608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.326608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.326608 (E_RNA) where: Base-Base interactions energy: -1196.707 where: short stacking energy: -519.027 Base-Backbone interact. energy: -1.873 local terms energy: -528.746550 where: bonds (distance) C4'-P energy: -96.758 bonds (distance) P-C4' energy: -95.810 flat angles C4'-P-C4' energy: -112.559 flat angles P-C4'-P energy: -76.017 tors. eta vs tors. theta energy: -147.602 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: 3 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1609.114556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.114556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.114556 (E_RNA) where: Base-Base interactions energy: -1112.093 where: short stacking energy: -443.971 Base-Backbone interact. energy: -1.750 local terms energy: -495.271623 where: bonds (distance) C4'-P energy: -77.954 bonds (distance) P-C4' energy: -101.979 flat angles C4'-P-C4' energy: -110.606 flat angles P-C4'-P energy: -75.364 tors. eta vs tors. theta energy: -129.369 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: 340 Temperature: 1.100000 Total energy: -1420.527594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1420.527594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1420.527594 (E_RNA) where: Base-Base interactions energy: -981.070 where: short stacking energy: -461.597 Base-Backbone interact. energy: -2.728 local terms energy: -436.728806 where: bonds (distance) C4'-P energy: -81.858 bonds (distance) P-C4' energy: -79.343 flat angles C4'-P-C4' energy: -93.848 flat angles P-C4'-P energy: -63.897 tors. eta vs tors. theta energy: -117.783 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: 340 Temperature: 1.150000 Total energy: -1387.523225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.523225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.523225 (E_RNA) where: Base-Base interactions energy: -970.970 where: short stacking energy: -402.428 Base-Backbone interact. energy: 0.111 local terms energy: -416.664001 where: bonds (distance) C4'-P energy: -73.597 bonds (distance) P-C4' energy: -89.617 flat angles C4'-P-C4' energy: -95.317 flat angles P-C4'-P energy: -58.229 tors. eta vs tors. theta energy: -99.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -1305.298047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.298047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.298047 (E_RNA) where: Base-Base interactions energy: -879.622 where: short stacking energy: -384.900 Base-Backbone interact. energy: -1.815 local terms energy: -423.860751 where: bonds (distance) C4'-P energy: -77.923 bonds (distance) P-C4' energy: -88.571 flat angles C4'-P-C4' energy: -97.679 flat angles P-C4'-P energy: -60.862 tors. eta vs tors. theta energy: -98.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -998.589207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.589207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.589207 (E_RNA) where: Base-Base interactions energy: -654.940 where: short stacking energy: -288.475 Base-Backbone interact. energy: 1.492 local terms energy: -345.141249 where: bonds (distance) C4'-P energy: -73.430 bonds (distance) P-C4' energy: -82.477 flat angles C4'-P-C4' energy: -87.407 flat angles P-C4'-P energy: -49.482 tors. eta vs tors. theta energy: -52.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -810.538266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.538266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.538266 (E_RNA) where: Base-Base interactions energy: -517.459 where: short stacking energy: -245.640 Base-Backbone interact. energy: 3.596 local terms energy: -296.675280 where: bonds (distance) C4'-P energy: -74.698 bonds (distance) P-C4' energy: -72.555 flat angles C4'-P-C4' energy: -76.865 flat angles P-C4'-P energy: -40.077 tors. eta vs tors. theta energy: -32.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -761.884091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.884091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.884091 (E_RNA) where: Base-Base interactions energy: -470.253 where: short stacking energy: -238.322 Base-Backbone interact. energy: -0.770 local terms energy: -290.861563 where: bonds (distance) C4'-P energy: -48.316 bonds (distance) P-C4' energy: -85.801 flat angles C4'-P-C4' energy: -72.244 flat angles P-C4'-P energy: -51.729 tors. eta vs tors. theta energy: -32.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1871.838494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.838494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.838494 (E_RNA) where: Base-Base interactions energy: -1333.808 where: short stacking energy: -550.954 Base-Backbone interact. energy: -2.991 local terms energy: -535.039676 where: bonds (distance) C4'-P energy: -95.585 bonds (distance) P-C4' energy: -102.171 flat angles C4'-P-C4' energy: -109.431 flat angles P-C4'-P energy: -73.166 tors. eta vs tors. theta energy: -154.687 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: 2, replica: 5 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1749.911305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.911305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.911305 (E_RNA) where: Base-Base interactions energy: -1223.239 where: short stacking energy: -515.907 Base-Backbone interact. energy: -3.197 local terms energy: -523.475271 where: bonds (distance) C4'-P energy: -81.877 bonds (distance) P-C4' energy: -106.864 flat angles C4'-P-C4' energy: -111.710 flat angles P-C4'-P energy: -75.880 tors. eta vs tors. theta energy: -147.144 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: 3, replica: 8 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1712.488709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.488709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.488709 (E_RNA) where: Base-Base interactions energy: -1202.831 where: short stacking energy: -512.652 Base-Backbone interact. energy: -0.945 local terms energy: -508.712671 where: bonds (distance) C4'-P energy: -80.424 bonds (distance) P-C4' energy: -92.351 flat angles C4'-P-C4' energy: -107.667 flat angles P-C4'-P energy: -71.505 tors. eta vs tors. theta energy: -156.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1641.991985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.991985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.991985 (E_RNA) where: Base-Base interactions energy: -1125.506 where: short stacking energy: -477.017 Base-Backbone interact. energy: 3.076 local terms energy: -519.561620 where: bonds (distance) C4'-P energy: -91.593 bonds (distance) P-C4' energy: -101.938 flat angles C4'-P-C4' energy: -112.626 flat angles P-C4'-P energy: -73.478 tors. eta vs tors. theta energy: -139.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -1442.208634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.208634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.208634 (E_RNA) where: Base-Base interactions energy: -954.183 where: short stacking energy: -426.823 Base-Backbone interact. energy: -1.971 local terms energy: -486.055187 where: bonds (distance) C4'-P energy: -95.590 bonds (distance) P-C4' energy: -92.133 flat angles C4'-P-C4' energy: -104.380 flat angles P-C4'-P energy: -76.097 tors. eta vs tors. theta energy: -117.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -1419.263901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.263901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.263901 (E_RNA) where: Base-Base interactions energy: -982.663 where: short stacking energy: -399.517 Base-Backbone interact. energy: 1.831 local terms energy: -438.431854 where: bonds (distance) C4'-P energy: -85.401 bonds (distance) P-C4' energy: -92.209 flat angles C4'-P-C4' energy: -86.190 flat angles P-C4'-P energy: -77.964 tors. eta vs tors. theta energy: -96.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -1318.872769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.872769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.872769 (E_RNA) where: Base-Base interactions energy: -898.802 where: short stacking energy: -410.210 Base-Backbone interact. energy: -1.395 local terms energy: -418.676184 where: bonds (distance) C4'-P energy: -85.065 bonds (distance) P-C4' energy: -87.457 flat angles C4'-P-C4' energy: -80.099 flat angles P-C4'-P energy: -59.569 tors. eta vs tors. theta energy: -106.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -1023.620870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.620870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.620870 (E_RNA) where: Base-Base interactions energy: -671.035 where: short stacking energy: -302.905 Base-Backbone interact. energy: -1.830 local terms energy: -350.756446 where: bonds (distance) C4'-P energy: -66.155 bonds (distance) P-C4' energy: -90.243 flat angles C4'-P-C4' energy: -87.850 flat angles P-C4'-P energy: -41.953 tors. eta vs tors. theta energy: -64.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -909.605413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.605413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.605413 (E_RNA) where: Base-Base interactions energy: -560.386 where: short stacking energy: -262.118 Base-Backbone interact. energy: 0.039 local terms energy: -349.257798 where: bonds (distance) C4'-P energy: -80.690 bonds (distance) P-C4' energy: -87.014 flat angles C4'-P-C4' energy: -85.136 flat angles P-C4'-P energy: -46.048 tors. eta vs tors. theta energy: -50.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -792.349044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.349044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.349044 (E_RNA) where: Base-Base interactions energy: -483.226 where: short stacking energy: -241.259 Base-Backbone interact. energy: -1.648 local terms energy: -307.474850 where: bonds (distance) C4'-P energy: -69.882 bonds (distance) P-C4' energy: -83.098 flat angles C4'-P-C4' energy: -71.841 flat angles P-C4'-P energy: -50.221 tors. eta vs tors. theta energy: -32.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1857.726126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1857.726126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1857.726126 (E_RNA) where: Base-Base interactions energy: -1334.844 where: short stacking energy: -563.791 Base-Backbone interact. energy: -0.837 local terms energy: -522.044899 where: bonds (distance) C4'-P energy: -87.677 bonds (distance) P-C4' energy: -92.503 flat angles C4'-P-C4' energy: -109.975 flat angles P-C4'-P energy: -73.295 tors. eta vs tors. theta energy: -158.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1752.101487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.101487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.101487 (E_RNA) where: Base-Base interactions energy: -1234.524 where: short stacking energy: -551.394 Base-Backbone interact. energy: -2.127 local terms energy: -515.450246 where: bonds (distance) C4'-P energy: -89.188 bonds (distance) P-C4' energy: -85.431 flat angles C4'-P-C4' energy: -111.937 flat angles P-C4'-P energy: -75.350 tors. eta vs tors. theta energy: -153.545 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: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1676.903002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.903002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.903002 (E_RNA) where: Base-Base interactions energy: -1206.477 where: short stacking energy: -520.172 Base-Backbone interact. energy: -0.987 local terms energy: -469.439433 where: bonds (distance) C4'-P energy: -74.919 bonds (distance) P-C4' energy: -86.772 flat angles C4'-P-C4' energy: -99.541 flat angles P-C4'-P energy: -71.378 tors. eta vs tors. theta energy: -136.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1621.167228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.167228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.167228 (E_RNA) where: Base-Base interactions energy: -1120.635 where: short stacking energy: -479.001 Base-Backbone interact. energy: -2.765 local terms energy: -497.766913 where: bonds (distance) C4'-P energy: -91.817 bonds (distance) P-C4' energy: -96.618 flat angles C4'-P-C4' energy: -102.581 flat angles P-C4'-P energy: -65.208 tors. eta vs tors. theta energy: -141.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -1466.250262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.250262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.250262 (E_RNA) where: Base-Base interactions energy: -1028.826 where: short stacking energy: -420.863 Base-Backbone interact. energy: -4.251 local terms energy: -433.172797 where: bonds (distance) C4'-P energy: -90.956 bonds (distance) P-C4' energy: -93.714 flat angles C4'-P-C4' energy: -84.582 flat angles P-C4'-P energy: -59.347 tors. eta vs tors. theta energy: -104.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -1329.590624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.590624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.590624 (E_RNA) where: Base-Base interactions energy: -898.825 where: short stacking energy: -382.233 Base-Backbone interact. energy: -3.073 local terms energy: -427.692905 where: bonds (distance) C4'-P energy: -82.977 bonds (distance) P-C4' energy: -89.213 flat angles C4'-P-C4' energy: -95.673 flat angles P-C4'-P energy: -62.598 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: 7, replica: 9 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -1302.509596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.509596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.509596 (E_RNA) where: Base-Base interactions energy: -909.517 where: short stacking energy: -384.039 Base-Backbone interact. energy: 0.613 local terms energy: -393.605580 where: bonds (distance) C4'-P energy: -79.104 bonds (distance) P-C4' energy: -62.737 flat angles C4'-P-C4' energy: -100.213 flat angles P-C4'-P energy: -58.540 tors. eta vs tors. theta energy: -93.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -1008.916040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.916040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.916040 (E_RNA) where: Base-Base interactions energy: -620.035 where: short stacking energy: -288.412 Base-Backbone interact. energy: -1.124 local terms energy: -387.756749 where: bonds (distance) C4'-P energy: -94.212 bonds (distance) P-C4' energy: -82.768 flat angles C4'-P-C4' energy: -85.670 flat angles P-C4'-P energy: -69.364 tors. eta vs tors. theta energy: -55.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -861.524289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.524289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.524289 (E_RNA) where: Base-Base interactions energy: -545.724 where: short stacking energy: -256.720 Base-Backbone interact. energy: -2.719 local terms energy: -313.081335 where: bonds (distance) C4'-P energy: -72.107 bonds (distance) P-C4' energy: -77.367 flat angles C4'-P-C4' energy: -80.272 flat angles P-C4'-P energy: -42.769 tors. eta vs tors. theta energy: -40.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -835.569857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.569857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.569857 (E_RNA) where: Base-Base interactions energy: -507.035 where: short stacking energy: -245.020 Base-Backbone interact. energy: -1.247 local terms energy: -327.287502 where: bonds (distance) C4'-P energy: -80.038 bonds (distance) P-C4' energy: -78.627 flat angles C4'-P-C4' energy: -87.526 flat angles P-C4'-P energy: -55.803 tors. eta vs tors. theta energy: -25.294 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: 1, replica: 6 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1864.643577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.643577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.643577 (E_RNA) where: Base-Base interactions energy: -1324.488 where: short stacking energy: -565.149 Base-Backbone interact. energy: -1.276 local terms energy: -538.880417 where: bonds (distance) C4'-P energy: -91.434 bonds (distance) P-C4' energy: -97.565 flat angles C4'-P-C4' energy: -119.945 flat angles P-C4'-P energy: -72.387 tors. eta vs tors. theta energy: -157.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1773.256194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.256194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.256194 (E_RNA) where: Base-Base interactions energy: -1255.897 where: short stacking energy: -531.697 Base-Backbone interact. energy: 1.505 local terms energy: -518.863746 where: bonds (distance) C4'-P energy: -92.021 bonds (distance) P-C4' energy: -88.116 flat angles C4'-P-C4' energy: -111.116 flat angles P-C4'-P energy: -82.138 tors. eta vs tors. theta energy: -145.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1657.431334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.431334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.431334 (E_RNA) where: Base-Base interactions energy: -1166.747 where: short stacking energy: -494.768 Base-Backbone interact. energy: -1.988 local terms energy: -488.696052 where: bonds (distance) C4'-P energy: -90.566 bonds (distance) P-C4' energy: -97.212 flat angles C4'-P-C4' energy: -99.030 flat angles P-C4'-P energy: -67.200 tors. eta vs tors. theta energy: -134.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1618.361142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.361142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.361142 (E_RNA) where: Base-Base interactions energy: -1119.153 where: short stacking energy: -469.518 Base-Backbone interact. energy: -3.653 local terms energy: -495.555327 where: bonds (distance) C4'-P energy: -95.148 bonds (distance) P-C4' energy: -88.733 flat angles C4'-P-C4' energy: -105.576 flat angles P-C4'-P energy: -68.721 tors. eta vs tors. theta energy: -137.377 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: 5, replica: 7 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -1423.854580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1423.854580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1423.854580 (E_RNA) where: Base-Base interactions energy: -990.672 where: short stacking energy: -422.162 Base-Backbone interact. energy: 0.083 local terms energy: -433.265348 where: bonds (distance) C4'-P energy: -75.905 bonds (distance) P-C4' energy: -91.625 flat angles C4'-P-C4' energy: -81.789 flat angles P-C4'-P energy: -64.595 tors. eta vs tors. theta energy: -119.351 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: 9 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -1332.429572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.429572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.429572 (E_RNA) where: Base-Base interactions energy: -892.620 where: short stacking energy: -376.747 Base-Backbone interact. energy: 1.702 local terms energy: -441.511005 where: bonds (distance) C4'-P energy: -84.546 bonds (distance) P-C4' energy: -83.307 flat angles C4'-P-C4' energy: -100.145 flat angles P-C4'-P energy: -72.574 tors. eta vs tors. theta energy: -100.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -1239.532571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1239.532571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1239.532571 (E_RNA) where: Base-Base interactions energy: -835.617 where: short stacking energy: -404.029 Base-Backbone interact. energy: -2.036 local terms energy: -401.879039 where: bonds (distance) C4'-P energy: -86.481 bonds (distance) P-C4' energy: -79.870 flat angles C4'-P-C4' energy: -91.121 flat angles P-C4'-P energy: -41.153 tors. eta vs tors. theta energy: -103.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -1032.466785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.466785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.466785 (E_RNA) where: Base-Base interactions energy: -673.012 where: short stacking energy: -306.710 Base-Backbone interact. energy: -1.423 local terms energy: -358.031140 where: bonds (distance) C4'-P energy: -84.509 bonds (distance) P-C4' energy: -79.422 flat angles C4'-P-C4' energy: -81.042 flat angles P-C4'-P energy: -57.354 tors. eta vs tors. theta energy: -55.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -866.940593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.940593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.940593 (E_RNA) where: Base-Base interactions energy: -557.402 where: short stacking energy: -286.648 Base-Backbone interact. energy: 1.080 local terms energy: -310.618981 where: bonds (distance) C4'-P energy: -81.206 bonds (distance) P-C4' energy: -80.403 flat angles C4'-P-C4' energy: -73.928 flat angles P-C4'-P energy: -30.080 tors. eta vs tors. theta energy: -45.003 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: 2 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -814.276234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.276234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.276234 (E_RNA) where: Base-Base interactions energy: -486.747 where: short stacking energy: -224.829 Base-Backbone interact. energy: -1.971 local terms energy: -325.558688 where: bonds (distance) C4'-P energy: -86.728 bonds (distance) P-C4' energy: -83.130 flat angles C4'-P-C4' energy: -70.668 flat angles P-C4'-P energy: -49.018 tors. eta vs tors. theta energy: -36.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1863.169420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.169420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.169420 (E_RNA) where: Base-Base interactions energy: -1306.657 where: short stacking energy: -541.910 Base-Backbone interact. energy: -1.636 local terms energy: -554.876384 where: bonds (distance) C4'-P energy: -101.163 bonds (distance) P-C4' energy: -105.041 flat angles C4'-P-C4' energy: -120.198 flat angles P-C4'-P energy: -74.746 tors. eta vs tors. theta energy: -153.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1791.216600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.216600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.216600 (E_RNA) where: Base-Base interactions energy: -1268.400 where: short stacking energy: -527.973 Base-Backbone interact. energy: 0.559 local terms energy: -523.375429 where: bonds (distance) C4'-P energy: -86.524 bonds (distance) P-C4' energy: -105.268 flat angles C4'-P-C4' energy: -108.151 flat angles P-C4'-P energy: -73.478 tors. eta vs tors. theta energy: -149.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1679.017283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.017283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.017283 (E_RNA) where: Base-Base interactions energy: -1186.946 where: short stacking energy: -488.927 Base-Backbone interact. energy: 0.329 local terms energy: -492.400496 where: bonds (distance) C4'-P energy: -97.265 bonds (distance) P-C4' energy: -92.508 flat angles C4'-P-C4' energy: -104.771 flat angles P-C4'-P energy: -63.208 tors. eta vs tors. theta energy: -134.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1654.637763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1654.637763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1654.637763 (E_RNA) where: Base-Base interactions energy: -1153.305 where: short stacking energy: -496.477 Base-Backbone interact. energy: -0.564 local terms energy: -500.768521 where: bonds (distance) C4'-P energy: -78.191 bonds (distance) P-C4' energy: -99.695 flat angles C4'-P-C4' energy: -103.541 flat angles P-C4'-P energy: -75.039 tors. eta vs tors. theta energy: -144.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -1473.355482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1473.355482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1473.355482 (E_RNA) where: Base-Base interactions energy: -1022.847 where: short stacking energy: -431.166 Base-Backbone interact. energy: -3.304 local terms energy: -447.204654 where: bonds (distance) C4'-P energy: -95.766 bonds (distance) P-C4' energy: -81.365 flat angles C4'-P-C4' energy: -97.214 flat angles P-C4'-P energy: -66.274 tors. eta vs tors. theta energy: -106.586 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: 9 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -1315.487215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.487215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.487215 (E_RNA) where: Base-Base interactions energy: -904.177 where: short stacking energy: -380.412 Base-Backbone interact. energy: -0.094 local terms energy: -411.216377 where: bonds (distance) C4'-P energy: -77.189 bonds (distance) P-C4' energy: -85.540 flat angles C4'-P-C4' energy: -94.700 flat angles P-C4'-P energy: -55.662 tors. eta vs tors. theta energy: -98.125 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: 4 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -1270.633764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.633764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.633764 (E_RNA) where: Base-Base interactions energy: -878.852 where: short stacking energy: -399.456 Base-Backbone interact. energy: 5.247 local terms energy: -397.028944 where: bonds (distance) C4'-P energy: -70.120 bonds (distance) P-C4' energy: -82.783 flat angles C4'-P-C4' energy: -83.973 flat angles P-C4'-P energy: -64.258 tors. eta vs tors. theta energy: -95.894 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: 1 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -1076.477917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.477917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.477917 (E_RNA) where: Base-Base interactions energy: -701.627 where: short stacking energy: -323.543 Base-Backbone interact. energy: -1.485 local terms energy: -373.366557 where: bonds (distance) C4'-P energy: -69.129 bonds (distance) P-C4' energy: -88.689 flat angles C4'-P-C4' energy: -78.717 flat angles P-C4'-P energy: -64.790 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: 9, replica: 2 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -781.132498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.132498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.132498 (E_RNA) where: Base-Base interactions energy: -453.944 where: short stacking energy: -225.714 Base-Backbone interact. energy: 8.026 local terms energy: -335.213889 where: bonds (distance) C4'-P energy: -89.502 bonds (distance) P-C4' energy: -87.105 flat angles C4'-P-C4' energy: -85.745 flat angles P-C4'-P energy: -56.978 tors. eta vs tors. theta energy: -15.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -830.160113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.160113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.160113 (E_RNA) where: Base-Base interactions energy: -493.898 where: short stacking energy: -227.677 Base-Backbone interact. energy: 1.114 local terms energy: -337.376816 where: bonds (distance) C4'-P energy: -82.021 bonds (distance) P-C4' energy: -89.763 flat angles C4'-P-C4' energy: -64.699 flat angles P-C4'-P energy: -60.225 tors. eta vs tors. theta energy: -40.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1863.868394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.868394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.868394 (E_RNA) where: Base-Base interactions energy: -1309.729 where: short stacking energy: -551.291 Base-Backbone interact. energy: -3.620 local terms energy: -550.519057 where: bonds (distance) C4'-P energy: -100.509 bonds (distance) P-C4' energy: -99.616 flat angles C4'-P-C4' energy: -115.339 flat angles P-C4'-P energy: -82.089 tors. eta vs tors. theta energy: -152.966 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: 5 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1798.465415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.465415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.465415 (E_RNA) where: Base-Base interactions energy: -1263.686 where: short stacking energy: -541.409 Base-Backbone interact. energy: -1.532 local terms energy: -533.247258 where: bonds (distance) C4'-P energy: -97.468 bonds (distance) P-C4' energy: -101.463 flat angles C4'-P-C4' energy: -113.372 flat angles P-C4'-P energy: -72.206 tors. eta vs tors. theta energy: -148.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1676.020896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1676.020896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1676.020896 (E_RNA) where: Base-Base interactions energy: -1138.110 where: short stacking energy: -495.487 Base-Backbone interact. energy: 0.265 local terms energy: -538.176002 where: bonds (distance) C4'-P energy: -93.419 bonds (distance) P-C4' energy: -104.316 flat angles C4'-P-C4' energy: -118.123 flat angles P-C4'-P energy: -80.919 tors. eta vs tors. theta energy: -141.399 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: 4, replica: 3 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1621.911505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.911505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.911505 (E_RNA) where: Base-Base interactions energy: -1148.068 where: short stacking energy: -509.091 Base-Backbone interact. energy: -2.511 local terms energy: -471.333124 where: bonds (distance) C4'-P energy: -74.521 bonds (distance) P-C4' energy: -80.188 flat angles C4'-P-C4' energy: -106.449 flat angles P-C4'-P energy: -78.054 tors. eta vs tors. theta energy: -132.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -1421.969250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1421.969250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1421.969250 (E_RNA) where: Base-Base interactions energy: -998.855 where: short stacking energy: -424.853 Base-Backbone interact. energy: -0.642 local terms energy: -422.472118 where: bonds (distance) C4'-P energy: -72.050 bonds (distance) P-C4' energy: -82.804 flat angles C4'-P-C4' energy: -99.203 flat angles P-C4'-P energy: -61.029 tors. eta vs tors. theta energy: -107.387 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: 4 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -1372.541286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.541286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.541286 (E_RNA) where: Base-Base interactions energy: -945.127 where: short stacking energy: -394.893 Base-Backbone interact. energy: 1.553 local terms energy: -428.966394 where: bonds (distance) C4'-P energy: -81.070 bonds (distance) P-C4' energy: -74.284 flat angles C4'-P-C4' energy: -98.680 flat angles P-C4'-P energy: -66.123 tors. eta vs tors. theta energy: -108.809 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: 9 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -1299.357198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.357198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.357198 (E_RNA) where: Base-Base interactions energy: -864.450 where: short stacking energy: -381.153 Base-Backbone interact. energy: -1.019 local terms energy: -433.888017 where: bonds (distance) C4'-P energy: -88.303 bonds (distance) P-C4' energy: -99.183 flat angles C4'-P-C4' energy: -88.181 flat angles P-C4'-P energy: -56.317 tors. eta vs tors. theta energy: -101.903 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: 1 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -1069.967569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.967569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.967569 (E_RNA) where: Base-Base interactions energy: -690.089 where: short stacking energy: -331.096 Base-Backbone interact. energy: -1.195 local terms energy: -378.684004 where: bonds (distance) C4'-P energy: -79.482 bonds (distance) P-C4' energy: -92.324 flat angles C4'-P-C4' energy: -83.345 flat angles P-C4'-P energy: -49.100 tors. eta vs tors. theta energy: -74.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -740.681902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.681902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.681902 (E_RNA) where: Base-Base interactions energy: -426.719 where: short stacking energy: -205.436 Base-Backbone interact. energy: -4.065 local terms energy: -309.896923 where: bonds (distance) C4'-P energy: -58.886 bonds (distance) P-C4' energy: -89.155 flat angles C4'-P-C4' energy: -84.061 flat angles P-C4'-P energy: -63.040 tors. eta vs tors. theta energy: -14.755 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: 10 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -831.170184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.170184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.170184 (E_RNA) where: Base-Base interactions energy: -512.811 where: short stacking energy: -256.899 Base-Backbone interact. energy: 5.110 local terms energy: -323.469277 where: bonds (distance) C4'-P energy: -82.356 bonds (distance) P-C4' energy: -85.917 flat angles C4'-P-C4' energy: -81.254 flat angles P-C4'-P energy: -41.785 tors. eta vs tors. theta energy: -32.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1869.719158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.719158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.719158 (E_RNA) where: Base-Base interactions energy: -1309.648 where: short stacking energy: -542.395 Base-Backbone interact. energy: -2.652 local terms energy: -557.419855 where: bonds (distance) C4'-P energy: -93.115 bonds (distance) P-C4' energy: -106.114 flat angles C4'-P-C4' energy: -118.979 flat angles P-C4'-P energy: -81.442 tors. eta vs tors. theta energy: -157.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1794.744338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.744338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.744338 (E_RNA) where: Base-Base interactions energy: -1242.166 where: short stacking energy: -520.142 Base-Backbone interact. energy: -5.896 local terms energy: -546.682173 where: bonds (distance) C4'-P energy: -103.677 bonds (distance) P-C4' energy: -108.928 flat angles C4'-P-C4' energy: -109.048 flat angles P-C4'-P energy: -80.647 tors. eta vs tors. theta energy: -144.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1696.817337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.817337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.817337 (E_RNA) where: Base-Base interactions energy: -1168.553 where: short stacking energy: -488.653 Base-Backbone interact. energy: 0.392 local terms energy: -528.656444 where: bonds (distance) C4'-P energy: -102.225 bonds (distance) P-C4' energy: -85.686 flat angles C4'-P-C4' energy: -107.698 flat angles P-C4'-P energy: -84.126 tors. eta vs tors. theta energy: -148.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1618.503965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.503965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.503965 (E_RNA) where: Base-Base interactions energy: -1119.183 where: short stacking energy: -491.551 Base-Backbone interact. energy: -2.338 local terms energy: -496.982498 where: bonds (distance) C4'-P energy: -85.189 bonds (distance) P-C4' energy: -81.657 flat angles C4'-P-C4' energy: -108.425 flat angles P-C4'-P energy: -77.453 tors. eta vs tors. theta energy: -144.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -1403.737556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.737556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.737556 (E_RNA) where: Base-Base interactions energy: -967.273 where: short stacking energy: -416.319 Base-Backbone interact. energy: -1.333 local terms energy: -435.132041 where: bonds (distance) C4'-P energy: -91.387 bonds (distance) P-C4' energy: -78.210 flat angles C4'-P-C4' energy: -95.638 flat angles P-C4'-P energy: -59.064 tors. eta vs tors. theta energy: -110.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -1424.406201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.406201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.406201 (E_RNA) where: Base-Base interactions energy: -999.929 where: short stacking energy: -414.841 Base-Backbone interact. energy: -0.963 local terms energy: -423.514306 where: bonds (distance) C4'-P energy: -65.516 bonds (distance) P-C4' energy: -88.882 flat angles C4'-P-C4' energy: -89.761 flat angles P-C4'-P energy: -58.473 tors. eta vs tors. theta energy: -120.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -1270.355065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.355065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.355065 (E_RNA) where: Base-Base interactions energy: -852.124 where: short stacking energy: -386.956 Base-Backbone interact. energy: -0.369 local terms energy: -417.861153 where: bonds (distance) C4'-P energy: -91.145 bonds (distance) P-C4' energy: -83.326 flat angles C4'-P-C4' energy: -84.997 flat angles P-C4'-P energy: -44.683 tors. eta vs tors. theta energy: -113.710 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: 1 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -993.680119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.680119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.680119 (E_RNA) where: Base-Base interactions energy: -656.545 where: short stacking energy: -273.837 Base-Backbone interact. energy: -2.344 local terms energy: -334.791827 where: bonds (distance) C4'-P energy: -77.903 bonds (distance) P-C4' energy: -77.409 flat angles C4'-P-C4' energy: -73.581 flat angles P-C4'-P energy: -57.168 tors. eta vs tors. theta energy: -48.732 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: 10 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -844.325352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.325352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.325352 (E_RNA) where: Base-Base interactions energy: -529.104 where: short stacking energy: -266.205 Base-Backbone interact. energy: 4.469 local terms energy: -319.690171 where: bonds (distance) C4'-P energy: -58.902 bonds (distance) P-C4' energy: -78.677 flat angles C4'-P-C4' energy: -84.279 flat angles P-C4'-P energy: -51.064 tors. eta vs tors. theta energy: -46.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -745.770477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.770477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.770477 (E_RNA) where: Base-Base interactions energy: -462.829 where: short stacking energy: -225.394 Base-Backbone interact. energy: -1.945 local terms energy: -280.996636 where: bonds (distance) C4'-P energy: -67.254 bonds (distance) P-C4' energy: -72.470 flat angles C4'-P-C4' energy: -74.769 flat angles P-C4'-P energy: -41.600 tors. eta vs tors. theta energy: -24.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1859.170609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.170609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.170609 (E_RNA) where: Base-Base interactions energy: -1327.764 where: short stacking energy: -538.268 Base-Backbone interact. energy: -1.798 local terms energy: -529.608699 where: bonds (distance) C4'-P energy: -89.862 bonds (distance) P-C4' energy: -99.096 flat angles C4'-P-C4' energy: -114.436 flat angles P-C4'-P energy: -73.816 tors. eta vs tors. theta energy: -152.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1755.256271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.256271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.256271 (E_RNA) where: Base-Base interactions energy: -1247.887 where: short stacking energy: -532.967 Base-Backbone interact. energy: -2.842 local terms energy: -504.527274 where: bonds (distance) C4'-P energy: -96.454 bonds (distance) P-C4' energy: -88.615 flat angles C4'-P-C4' energy: -107.339 flat angles P-C4'-P energy: -67.576 tors. eta vs tors. theta energy: -144.543 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: 8 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1739.451736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.451736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.451736 (E_RNA) where: Base-Base interactions energy: -1194.579 where: short stacking energy: -499.385 Base-Backbone interact. energy: -1.038 local terms energy: -543.834976 where: bonds (distance) C4'-P energy: -98.932 bonds (distance) P-C4' energy: -101.447 flat angles C4'-P-C4' energy: -117.663 flat angles P-C4'-P energy: -72.407 tors. eta vs tors. theta energy: -153.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1619.008277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.008277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.008277 (E_RNA) where: Base-Base interactions energy: -1143.931 where: short stacking energy: -491.913 Base-Backbone interact. energy: -3.218 local terms energy: -471.858358 where: bonds (distance) C4'-P energy: -86.189 bonds (distance) P-C4' energy: -82.563 flat angles C4'-P-C4' energy: -103.489 flat angles P-C4'-P energy: -63.571 tors. eta vs tors. theta energy: -136.046 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: 4 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -1414.532292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1414.532292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1414.532292 (E_RNA) where: Base-Base interactions energy: -940.001 where: short stacking energy: -416.659 Base-Backbone interact. energy: -2.663 local terms energy: -471.867821 where: bonds (distance) C4'-P energy: -93.103 bonds (distance) P-C4' energy: -95.015 flat angles C4'-P-C4' energy: -112.716 flat angles P-C4'-P energy: -60.993 tors. eta vs tors. theta energy: -110.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -1385.365699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.365699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.365699 (E_RNA) where: Base-Base interactions energy: -970.785 where: short stacking energy: -404.379 Base-Backbone interact. energy: 0.231 local terms energy: -414.811926 where: bonds (distance) C4'-P energy: -76.616 bonds (distance) P-C4' energy: -86.652 flat angles C4'-P-C4' energy: -94.153 flat angles P-C4'-P energy: -56.718 tors. eta vs tors. theta energy: -100.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -1289.115102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.115102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.115102 (E_RNA) where: Base-Base interactions energy: -858.717 where: short stacking energy: -386.427 Base-Backbone interact. energy: 1.123 local terms energy: -431.521387 where: bonds (distance) C4'-P energy: -89.946 bonds (distance) P-C4' energy: -90.538 flat angles C4'-P-C4' energy: -86.155 flat angles P-C4'-P energy: -62.533 tors. eta vs tors. theta energy: -102.348 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: 1 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -1025.798202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.798202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.798202 (E_RNA) where: Base-Base interactions energy: -643.077 where: short stacking energy: -287.411 Base-Backbone interact. energy: -1.172 local terms energy: -381.548876 where: bonds (distance) C4'-P energy: -91.983 bonds (distance) P-C4' energy: -85.124 flat angles C4'-P-C4' energy: -96.488 flat angles P-C4'-P energy: -52.912 tors. eta vs tors. theta energy: -55.042 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: 10 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -831.584664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.584664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.584664 (E_RNA) where: Base-Base interactions energy: -518.850 where: short stacking energy: -233.004 Base-Backbone interact. energy: 2.810 local terms energy: -315.544518 where: bonds (distance) C4'-P energy: -71.288 bonds (distance) P-C4' energy: -85.238 flat angles C4'-P-C4' energy: -85.730 flat angles P-C4'-P energy: -46.213 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: 2 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -748.488596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.488596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.488596 (E_RNA) where: Base-Base interactions energy: -438.429 where: short stacking energy: -216.519 Base-Backbone interact. energy: -0.228 local terms energy: -309.831132 where: bonds (distance) C4'-P energy: -66.606 bonds (distance) P-C4' energy: -80.138 flat angles C4'-P-C4' energy: -79.745 flat angles P-C4'-P energy: -50.473 tors. eta vs tors. theta energy: -32.870 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: 6 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1860.912225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.912225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.912225 (E_RNA) where: Base-Base interactions energy: -1321.182 where: short stacking energy: -547.935 Base-Backbone interact. energy: 0.053 local terms energy: -539.782731 where: bonds (distance) C4'-P energy: -94.628 bonds (distance) P-C4' energy: -97.836 flat angles C4'-P-C4' energy: -112.886 flat angles P-C4'-P energy: -83.370 tors. eta vs tors. theta energy: -151.062 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: 348 Temperature: 0.950000 Total energy: -1760.547713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1760.547713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1760.547713 (E_RNA) where: Base-Base interactions energy: -1237.508 where: short stacking energy: -520.422 Base-Backbone interact. energy: -1.710 local terms energy: -521.329557 where: bonds (distance) C4'-P energy: -89.115 bonds (distance) P-C4' energy: -99.212 flat angles C4'-P-C4' energy: -107.968 flat angles P-C4'-P energy: -77.219 tors. eta vs tors. theta energy: -147.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1725.164888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.164888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.164888 (E_RNA) where: Base-Base interactions energy: -1202.902 where: short stacking energy: -516.369 Base-Backbone interact. energy: -1.441 local terms energy: -520.822262 where: bonds (distance) C4'-P energy: -83.409 bonds (distance) P-C4' energy: -94.816 flat angles C4'-P-C4' energy: -110.937 flat angles P-C4'-P energy: -74.610 tors. eta vs tors. theta energy: -157.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1606.734597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.734597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.734597 (E_RNA) where: Base-Base interactions energy: -1098.822 where: short stacking energy: -486.947 Base-Backbone interact. energy: -4.932 local terms energy: -502.980848 where: bonds (distance) C4'-P energy: -95.264 bonds (distance) P-C4' energy: -99.920 flat angles C4'-P-C4' energy: -106.289 flat angles P-C4'-P energy: -62.927 tors. eta vs tors. theta energy: -138.580 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: 7 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -1455.556154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1455.556154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1455.556154 (E_RNA) where: Base-Base interactions energy: -1012.378 where: short stacking energy: -424.275 Base-Backbone interact. energy: 0.696 local terms energy: -443.874393 where: bonds (distance) C4'-P energy: -92.145 bonds (distance) P-C4' energy: -88.799 flat angles C4'-P-C4' energy: -107.242 flat angles P-C4'-P energy: -56.476 tors. eta vs tors. theta energy: -99.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -1390.455230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.455230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.455230 (E_RNA) where: Base-Base interactions energy: -972.769 where: short stacking energy: -440.089 Base-Backbone interact. energy: 0.879 local terms energy: -418.565255 where: bonds (distance) C4'-P energy: -72.670 bonds (distance) P-C4' energy: -88.709 flat angles C4'-P-C4' energy: -86.427 flat angles P-C4'-P energy: -49.971 tors. eta vs tors. theta energy: -120.788 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: 9 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -1303.015405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.015405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.015405 (E_RNA) where: Base-Base interactions energy: -913.466 where: short stacking energy: -388.082 Base-Backbone interact. energy: -1.703 local terms energy: -387.846816 where: bonds (distance) C4'-P energy: -67.424 bonds (distance) P-C4' energy: -66.531 flat angles C4'-P-C4' energy: -103.686 flat angles P-C4'-P energy: -53.752 tors. eta vs tors. theta energy: -96.453 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: 1 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -1003.327604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.327604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.327604 (E_RNA) where: Base-Base interactions energy: -619.929 where: short stacking energy: -303.527 Base-Backbone interact. energy: 2.172 local terms energy: -385.571339 where: bonds (distance) C4'-P energy: -88.816 bonds (distance) P-C4' energy: -87.976 flat angles C4'-P-C4' energy: -86.915 flat angles P-C4'-P energy: -52.046 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: 9, replica: 10 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -878.621348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.621348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.621348 (E_RNA) where: Base-Base interactions energy: -556.319 where: short stacking energy: -255.299 Base-Backbone interact. energy: -1.538 local terms energy: -320.763877 where: bonds (distance) C4'-P energy: -74.406 bonds (distance) P-C4' energy: -75.707 flat angles C4'-P-C4' energy: -96.638 flat angles P-C4'-P energy: -37.501 tors. eta vs tors. theta energy: -36.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -755.315824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.315824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.315824 (E_RNA) where: Base-Base interactions energy: -491.249 where: short stacking energy: -217.615 Base-Backbone interact. energy: 0.147 local terms energy: -264.213817 where: bonds (distance) C4'-P energy: -65.830 bonds (distance) P-C4' energy: -76.473 flat angles C4'-P-C4' energy: -78.868 flat angles P-C4'-P energy: -42.204 tors. eta vs tors. theta energy: -0.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1892.901779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.901779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.901779 (E_RNA) where: Base-Base interactions energy: -1328.766 where: short stacking energy: -558.875 Base-Backbone interact. energy: -1.518 local terms energy: -562.617592 where: bonds (distance) C4'-P energy: -90.876 bonds (distance) P-C4' energy: -106.319 flat angles C4'-P-C4' energy: -116.770 flat angles P-C4'-P energy: -90.394 tors. eta vs tors. theta energy: -158.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1761.571587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.571587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.571587 (E_RNA) where: Base-Base interactions energy: -1260.199 where: short stacking energy: -543.804 Base-Backbone interact. energy: -3.127 local terms energy: -498.245210 where: bonds (distance) C4'-P energy: -82.653 bonds (distance) P-C4' energy: -88.355 flat angles C4'-P-C4' energy: -100.175 flat angles P-C4'-P energy: -74.315 tors. eta vs tors. theta energy: -152.747 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: 8 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1705.785212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.785212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.785212 (E_RNA) where: Base-Base interactions energy: -1207.983 where: short stacking energy: -491.662 Base-Backbone interact. energy: -0.276 local terms energy: -497.526792 where: bonds (distance) C4'-P energy: -98.765 bonds (distance) P-C4' energy: -81.560 flat angles C4'-P-C4' energy: -107.486 flat angles P-C4'-P energy: -63.367 tors. eta vs tors. theta energy: -146.350 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: 3 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1618.541357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.541357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.541357 (E_RNA) where: Base-Base interactions energy: -1146.921 where: short stacking energy: -479.280 Base-Backbone interact. energy: -1.159 local terms energy: -470.461149 where: bonds (distance) C4'-P energy: -94.185 bonds (distance) P-C4' energy: -78.196 flat angles C4'-P-C4' energy: -93.815 flat angles P-C4'-P energy: -68.057 tors. eta vs tors. theta energy: -136.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -1437.546408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.546408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.546408 (E_RNA) where: Base-Base interactions energy: -981.582 where: short stacking energy: -445.354 Base-Backbone interact. energy: -1.059 local terms energy: -454.905084 where: bonds (distance) C4'-P energy: -85.852 bonds (distance) P-C4' energy: -83.591 flat angles C4'-P-C4' energy: -104.994 flat angles P-C4'-P energy: -69.136 tors. eta vs tors. theta energy: -111.332 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: 6, replica: 9 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -1354.009199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.009199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.009199 (E_RNA) where: Base-Base interactions energy: -942.921 where: short stacking energy: -413.988 Base-Backbone interact. energy: 1.928 local terms energy: -413.016370 where: bonds (distance) C4'-P energy: -84.185 bonds (distance) P-C4' energy: -70.131 flat angles C4'-P-C4' energy: -89.275 flat angles P-C4'-P energy: -63.703 tors. eta vs tors. theta energy: -105.721 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: 4 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -1340.487304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.487304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.487304 (E_RNA) where: Base-Base interactions energy: -895.016 where: short stacking energy: -398.530 Base-Backbone interact. energy: -2.167 local terms energy: -443.304683 where: bonds (distance) C4'-P energy: -87.865 bonds (distance) P-C4' energy: -95.916 flat angles C4'-P-C4' energy: -94.140 flat angles P-C4'-P energy: -57.543 tors. eta vs tors. theta energy: -107.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -1022.025719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.025719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.025719 (E_RNA) where: Base-Base interactions energy: -661.250 where: short stacking energy: -322.292 Base-Backbone interact. energy: -1.988 local terms energy: -358.787375 where: bonds (distance) C4'-P energy: -68.654 bonds (distance) P-C4' energy: -76.797 flat angles C4'-P-C4' energy: -86.130 flat angles P-C4'-P energy: -52.516 tors. eta vs tors. theta energy: -74.691 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: 10 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -874.671762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.671762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.671762 (E_RNA) where: Base-Base interactions energy: -543.150 where: short stacking energy: -275.750 Base-Backbone interact. energy: -1.691 local terms energy: -329.830106 where: bonds (distance) C4'-P energy: -79.535 bonds (distance) P-C4' energy: -86.489 flat angles C4'-P-C4' energy: -80.799 flat angles P-C4'-P energy: -39.923 tors. eta vs tors. theta energy: -43.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -724.169641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.169641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.169641 (E_RNA) where: Base-Base interactions energy: -422.254 where: short stacking energy: -211.305 Base-Backbone interact. energy: -2.254 local terms energy: -299.661650 where: bonds (distance) C4'-P energy: -72.696 bonds (distance) P-C4' energy: -89.208 flat angles C4'-P-C4' energy: -78.328 flat angles P-C4'-P energy: -43.550 tors. eta vs tors. theta energy: -15.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1885.182251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.182251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.182251 (E_RNA) where: Base-Base interactions energy: -1338.530 where: short stacking energy: -562.234 Base-Backbone interact. energy: -2.070 local terms energy: -544.581840 where: bonds (distance) C4'-P energy: -103.709 bonds (distance) P-C4' energy: -94.202 flat angles C4'-P-C4' energy: -115.190 flat angles P-C4'-P energy: -74.080 tors. eta vs tors. theta energy: -157.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1776.718157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.718157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.718157 (E_RNA) where: Base-Base interactions energy: -1242.297 where: short stacking energy: -527.871 Base-Backbone interact. energy: -4.543 local terms energy: -529.877975 where: bonds (distance) C4'-P energy: -92.299 bonds (distance) P-C4' energy: -112.408 flat angles C4'-P-C4' energy: -106.924 flat angles P-C4'-P energy: -68.128 tors. eta vs tors. theta energy: -150.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1719.525711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.525711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.525711 (E_RNA) where: Base-Base interactions energy: -1202.765 where: short stacking energy: -523.588 Base-Backbone interact. energy: -1.680 local terms energy: -515.080249 where: bonds (distance) C4'-P energy: -78.059 bonds (distance) P-C4' energy: -94.452 flat angles C4'-P-C4' energy: -111.562 flat angles P-C4'-P energy: -68.290 tors. eta vs tors. theta energy: -162.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1649.771868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1649.771868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1649.771868 (E_RNA) where: Base-Base interactions energy: -1174.911 where: short stacking energy: -480.981 Base-Backbone interact. energy: -3.896 local terms energy: -470.965696 where: bonds (distance) C4'-P energy: -87.045 bonds (distance) P-C4' energy: -94.756 flat angles C4'-P-C4' energy: -87.363 flat angles P-C4'-P energy: -61.243 tors. eta vs tors. theta energy: -140.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -1437.673282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1437.673282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1437.673282 (E_RNA) where: Base-Base interactions energy: -982.216 where: short stacking energy: -416.999 Base-Backbone interact. energy: 1.748 local terms energy: -457.204401 where: bonds (distance) C4'-P energy: -83.220 bonds (distance) P-C4' energy: -98.765 flat angles C4'-P-C4' energy: -100.866 flat angles P-C4'-P energy: -63.878 tors. eta vs tors. theta energy: -110.475 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: 6, replica: 9 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -1331.292959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.292959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.292959 (E_RNA) where: Base-Base interactions energy: -927.266 where: short stacking energy: -380.299 Base-Backbone interact. energy: -0.351 local terms energy: -403.675888 where: bonds (distance) C4'-P energy: -90.730 bonds (distance) P-C4' energy: -67.474 flat angles C4'-P-C4' energy: -83.855 flat angles P-C4'-P energy: -58.136 tors. eta vs tors. theta energy: -103.482 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: 4 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -1317.750248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.750248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.750248 (E_RNA) where: Base-Base interactions energy: -900.599 where: short stacking energy: -408.519 Base-Backbone interact. energy: 3.945 local terms energy: -421.096544 where: bonds (distance) C4'-P energy: -79.755 bonds (distance) P-C4' energy: -77.121 flat angles C4'-P-C4' energy: -84.148 flat angles P-C4'-P energy: -61.338 tors. eta vs tors. theta energy: -118.735 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: 1 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -1034.204616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.204616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.204616 (E_RNA) where: Base-Base interactions energy: -678.750 where: short stacking energy: -299.755 Base-Backbone interact. energy: 0.295 local terms energy: -355.749751 where: bonds (distance) C4'-P energy: -73.431 bonds (distance) P-C4' energy: -78.518 flat angles C4'-P-C4' energy: -85.437 flat angles P-C4'-P energy: -49.921 tors. eta vs tors. theta energy: -68.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -810.420038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.420038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.420038 (E_RNA) where: Base-Base interactions energy: -492.107 where: short stacking energy: -225.508 Base-Backbone interact. energy: -0.389 local terms energy: -317.924056 where: bonds (distance) C4'-P energy: -80.620 bonds (distance) P-C4' energy: -89.569 flat angles C4'-P-C4' energy: -74.045 flat angles P-C4'-P energy: -41.010 tors. eta vs tors. theta energy: -32.681 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: 2 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -729.018971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.018971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.018971 (E_RNA) where: Base-Base interactions energy: -459.428 where: short stacking energy: -216.979 Base-Backbone interact. energy: 2.107 local terms energy: -271.698717 where: bonds (distance) C4'-P energy: -66.766 bonds (distance) P-C4' energy: -75.784 flat angles C4'-P-C4' energy: -67.967 flat angles P-C4'-P energy: -50.283 tors. eta vs tors. theta energy: -10.899 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: 6 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1873.645144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.645144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.645144 (E_RNA) where: Base-Base interactions energy: -1340.031 where: short stacking energy: -548.512 Base-Backbone interact. energy: 2.275 local terms energy: -535.888530 where: bonds (distance) C4'-P energy: -101.279 bonds (distance) P-C4' energy: -93.606 flat angles C4'-P-C4' energy: -120.386 flat angles P-C4'-P energy: -71.439 tors. eta vs tors. theta energy: -149.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1762.713472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.713472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.713472 (E_RNA) where: Base-Base interactions energy: -1220.603 where: short stacking energy: -513.959 Base-Backbone interact. energy: -1.707 local terms energy: -540.403477 where: bonds (distance) C4'-P energy: -102.612 bonds (distance) P-C4' energy: -98.997 flat angles C4'-P-C4' energy: -110.467 flat angles P-C4'-P energy: -71.575 tors. eta vs tors. theta energy: -156.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1736.578243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.578243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.578243 (E_RNA) where: Base-Base interactions energy: -1210.215 where: short stacking energy: -514.763 Base-Backbone interact. energy: 0.403 local terms energy: -526.766269 where: bonds (distance) C4'-P energy: -91.707 bonds (distance) P-C4' energy: -96.183 flat angles C4'-P-C4' energy: -114.826 flat angles P-C4'-P energy: -76.695 tors. eta vs tors. theta energy: -147.356 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: 3 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1636.443116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1636.443116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1636.443116 (E_RNA) where: Base-Base interactions energy: -1182.200 where: short stacking energy: -480.329 Base-Backbone interact. energy: -1.669 local terms energy: -452.573936 where: bonds (distance) C4'-P energy: -99.173 bonds (distance) P-C4' energy: -76.944 flat angles C4'-P-C4' energy: -93.874 flat angles P-C4'-P energy: -57.901 tors. eta vs tors. theta energy: -124.681 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: 351 Temperature: 1.100000 Total energy: -1415.165133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.165133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.165133 (E_RNA) where: Base-Base interactions energy: -975.688 where: short stacking energy: -416.065 Base-Backbone interact. energy: -0.726 local terms energy: -438.750445 where: bonds (distance) C4'-P energy: -70.117 bonds (distance) P-C4' energy: -88.273 flat angles C4'-P-C4' energy: -107.444 flat angles P-C4'-P energy: -63.642 tors. eta vs tors. theta energy: -109.276 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: 9 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -1361.565950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.565950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.565950 (E_RNA) where: Base-Base interactions energy: -934.560 where: short stacking energy: -394.650 Base-Backbone interact. energy: -2.224 local terms energy: -424.782092 where: bonds (distance) C4'-P energy: -83.369 bonds (distance) P-C4' energy: -89.916 flat angles C4'-P-C4' energy: -88.868 flat angles P-C4'-P energy: -58.701 tors. eta vs tors. theta energy: -103.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -1279.504285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.504285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.504285 (E_RNA) where: Base-Base interactions energy: -859.400 where: short stacking energy: -373.330 Base-Backbone interact. energy: -0.039 local terms energy: -420.065870 where: bonds (distance) C4'-P energy: -86.209 bonds (distance) P-C4' energy: -77.871 flat angles C4'-P-C4' energy: -94.532 flat angles P-C4'-P energy: -55.019 tors. eta vs tors. theta energy: -106.435 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: 1 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -1051.252652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.252652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.252652 (E_RNA) where: Base-Base interactions energy: -690.391 where: short stacking energy: -306.117 Base-Backbone interact. energy: -0.689 local terms energy: -360.172534 where: bonds (distance) C4'-P energy: -78.060 bonds (distance) P-C4' energy: -85.405 flat angles C4'-P-C4' energy: -79.905 flat angles P-C4'-P energy: -54.512 tors. eta vs tors. theta energy: -62.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -866.256602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.256602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.256602 (E_RNA) where: Base-Base interactions energy: -532.480 where: short stacking energy: -239.800 Base-Backbone interact. energy: -1.750 local terms energy: -332.026533 where: bonds (distance) C4'-P energy: -86.611 bonds (distance) P-C4' energy: -89.539 flat angles C4'-P-C4' energy: -68.794 flat angles P-C4'-P energy: -46.937 tors. eta vs tors. theta energy: -40.147 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: 2 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -780.070070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.070070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.070070 (E_RNA) where: Base-Base interactions energy: -467.909 where: short stacking energy: -221.437 Base-Backbone interact. energy: 1.692 local terms energy: -313.852761 where: bonds (distance) C4'-P energy: -82.591 bonds (distance) P-C4' energy: -86.515 flat angles C4'-P-C4' energy: -72.166 flat angles P-C4'-P energy: -46.532 tors. eta vs tors. theta energy: -26.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1891.710530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.710530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.710530 (E_RNA) where: Base-Base interactions energy: -1343.517 where: short stacking energy: -546.807 Base-Backbone interact. energy: -1.413 local terms energy: -546.780970 where: bonds (distance) C4'-P energy: -99.769 bonds (distance) P-C4' energy: -104.970 flat angles C4'-P-C4' energy: -112.228 flat angles P-C4'-P energy: -75.550 tors. eta vs tors. theta energy: -154.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1793.141329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.141329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.141329 (E_RNA) where: Base-Base interactions energy: -1251.015 where: short stacking energy: -536.161 Base-Backbone interact. energy: -2.010 local terms energy: -540.116756 where: bonds (distance) C4'-P energy: -93.955 bonds (distance) P-C4' energy: -88.228 flat angles C4'-P-C4' energy: -109.960 flat angles P-C4'-P energy: -82.888 tors. eta vs tors. theta energy: -165.086 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: 352 Temperature: 1.000000 Total energy: -1719.114838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.114838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.114838 (E_RNA) where: Base-Base interactions energy: -1209.420 where: short stacking energy: -503.483 Base-Backbone interact. energy: 2.176 local terms energy: -511.871057 where: bonds (distance) C4'-P energy: -88.600 bonds (distance) P-C4' energy: -101.964 flat angles C4'-P-C4' energy: -115.451 flat angles P-C4'-P energy: -67.319 tors. eta vs tors. theta energy: -138.536 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: 3 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -1624.670338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.670338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.670338 (E_RNA) where: Base-Base interactions energy: -1118.852 where: short stacking energy: -472.262 Base-Backbone interact. energy: -1.431 local terms energy: -504.387120 where: bonds (distance) C4'-P energy: -100.836 bonds (distance) P-C4' energy: -99.636 flat angles C4'-P-C4' energy: -96.046 flat angles P-C4'-P energy: -67.132 tors. eta vs tors. theta energy: -140.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -1375.045574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.045574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.045574 (E_RNA) where: Base-Base interactions energy: -914.382 where: short stacking energy: -398.007 Base-Backbone interact. energy: -1.835 local terms energy: -458.828845 where: bonds (distance) C4'-P energy: -90.319 bonds (distance) P-C4' energy: -100.696 flat angles C4'-P-C4' energy: -90.318 flat angles P-C4'-P energy: -69.943 tors. eta vs tors. theta energy: -107.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -1400.049573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.049573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.049573 (E_RNA) where: Base-Base interactions energy: -962.142 where: short stacking energy: -412.801 Base-Backbone interact. energy: 3.732 local terms energy: -441.639920 where: bonds (distance) C4'-P energy: -74.647 bonds (distance) P-C4' energy: -94.494 flat angles C4'-P-C4' energy: -95.262 flat angles P-C4'-P energy: -65.434 tors. eta vs tors. theta energy: -111.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -1298.947689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.947689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.947689 (E_RNA) where: Base-Base interactions energy: -871.109 where: short stacking energy: -392.096 Base-Backbone interact. energy: -1.586 local terms energy: -426.253528 where: bonds (distance) C4'-P energy: -78.345 bonds (distance) P-C4' energy: -75.992 flat angles C4'-P-C4' energy: -90.312 flat angles P-C4'-P energy: -72.867 tors. eta vs tors. theta energy: -108.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -1088.122954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.122954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.122954 (E_RNA) where: Base-Base interactions energy: -727.884 where: short stacking energy: -317.832 Base-Backbone interact. energy: 2.537 local terms energy: -362.775844 where: bonds (distance) C4'-P energy: -77.038 bonds (distance) P-C4' energy: -79.586 flat angles C4'-P-C4' energy: -76.109 flat angles P-C4'-P energy: -52.022 tors. eta vs tors. theta energy: -78.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -812.838980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.838980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.838980 (E_RNA) where: Base-Base interactions energy: -474.219 where: short stacking energy: -248.182 Base-Backbone interact. energy: -2.621 local terms energy: -335.998599 where: bonds (distance) C4'-P energy: -85.187 bonds (distance) P-C4' energy: -67.436 flat angles C4'-P-C4' energy: -82.983 flat angles P-C4'-P energy: -67.475 tors. eta vs tors. theta energy: -32.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -839.574829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.574829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.574829 (E_RNA) where: Base-Base interactions energy: -542.538 where: short stacking energy: -254.741 Base-Backbone interact. energy: 2.807 local terms energy: -299.844374 where: bonds (distance) C4'-P energy: -53.577 bonds (distance) P-C4' energy: -76.150 flat angles C4'-P-C4' energy: -79.959 flat angles P-C4'-P energy: -56.929 tors. eta vs tors. theta energy: -33.229 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: 1, replica: 6 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1859.337247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.337247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.337247 (E_RNA) where: Base-Base interactions energy: -1324.026 where: short stacking energy: -544.946 Base-Backbone interact. energy: -2.116 local terms energy: -533.195603 where: bonds (distance) C4'-P energy: -105.244 bonds (distance) P-C4' energy: -86.918 flat angles C4'-P-C4' energy: -111.010 flat angles P-C4'-P energy: -75.979 tors. eta vs tors. theta energy: -154.044 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: 8 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1791.621268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1791.621268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1791.621268 (E_RNA) where: Base-Base interactions energy: -1252.553 where: short stacking energy: -533.771 Base-Backbone interact. energy: -2.233 local terms energy: -536.834615 where: bonds (distance) C4'-P energy: -91.605 bonds (distance) P-C4' energy: -95.043 flat angles C4'-P-C4' energy: -110.441 flat angles P-C4'-P energy: -84.295 tors. eta vs tors. theta energy: -155.451 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: 5 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1720.665778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.665778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.665778 (E_RNA) where: Base-Base interactions energy: -1185.452 where: short stacking energy: -498.241 Base-Backbone interact. energy: -1.284 local terms energy: -533.929739 where: bonds (distance) C4'-P energy: -105.191 bonds (distance) P-C4' energy: -93.429 flat angles C4'-P-C4' energy: -111.065 flat angles P-C4'-P energy: -83.447 tors. eta vs tors. theta energy: -140.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1604.873570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.873570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.873570 (E_RNA) where: Base-Base interactions energy: -1129.235 where: short stacking energy: -479.938 Base-Backbone interact. energy: -1.350 local terms energy: -474.287705 where: bonds (distance) C4'-P energy: -90.181 bonds (distance) P-C4' energy: -91.922 flat angles C4'-P-C4' energy: -99.267 flat angles P-C4'-P energy: -58.570 tors. eta vs tors. theta energy: -134.349 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: 9 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -1397.563650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.563650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.563650 (E_RNA) where: Base-Base interactions energy: -961.529 where: short stacking energy: -406.255 Base-Backbone interact. energy: -1.685 local terms energy: -434.348825 where: bonds (distance) C4'-P energy: -73.731 bonds (distance) P-C4' energy: -94.460 flat angles C4'-P-C4' energy: -92.738 flat angles P-C4'-P energy: -62.506 tors. eta vs tors. theta energy: -110.914 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: 7 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -1390.513131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.513131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.513131 (E_RNA) where: Base-Base interactions energy: -935.203 where: short stacking energy: -428.879 Base-Backbone interact. energy: -2.290 local terms energy: -453.020778 where: bonds (distance) C4'-P energy: -90.094 bonds (distance) P-C4' energy: -82.563 flat angles C4'-P-C4' energy: -91.098 flat angles P-C4'-P energy: -77.770 tors. eta vs tors. theta energy: -111.497 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: 7, replica: 4 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -1262.960685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.960685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.960685 (E_RNA) where: Base-Base interactions energy: -850.225 where: short stacking energy: -378.305 Base-Backbone interact. energy: -3.407 local terms energy: -409.328410 where: bonds (distance) C4'-P energy: -83.053 bonds (distance) P-C4' energy: -90.037 flat angles C4'-P-C4' energy: -79.239 flat angles P-C4'-P energy: -65.851 tors. eta vs tors. theta energy: -91.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -1136.005159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.005159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.005159 (E_RNA) where: Base-Base interactions energy: -762.575 where: short stacking energy: -336.231 Base-Backbone interact. energy: -1.325 local terms energy: -372.105527 where: bonds (distance) C4'-P energy: -80.452 bonds (distance) P-C4' energy: -70.273 flat angles C4'-P-C4' energy: -75.119 flat angles P-C4'-P energy: -67.014 tors. eta vs tors. theta energy: -79.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -784.045857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.045857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.045857 (E_RNA) where: Base-Base interactions energy: -495.851 where: short stacking energy: -239.161 Base-Backbone interact. energy: -1.167 local terms energy: -287.028462 where: bonds (distance) C4'-P energy: -63.846 bonds (distance) P-C4' energy: -73.328 flat angles C4'-P-C4' energy: -76.278 flat angles P-C4'-P energy: -39.737 tors. eta vs tors. theta energy: -33.839 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: 353 Temperature: 1.350000 Total energy: -746.866694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.866694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.866694 (E_RNA) where: Base-Base interactions energy: -458.644 where: short stacking energy: -229.848 Base-Backbone interact. energy: 0.295 local terms energy: -288.517934 where: bonds (distance) C4'-P energy: -48.088 bonds (distance) P-C4' energy: -99.677 flat angles C4'-P-C4' energy: -63.713 flat angles P-C4'-P energy: -37.797 tors. eta vs tors. theta energy: -39.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1880.756353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.756353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.756353 (E_RNA) where: Base-Base interactions energy: -1323.686 where: short stacking energy: -555.079 Base-Backbone interact. energy: -2.479 local terms energy: -554.590920 where: bonds (distance) C4'-P energy: -84.390 bonds (distance) P-C4' energy: -109.059 flat angles C4'-P-C4' energy: -122.078 flat angles P-C4'-P energy: -83.442 tors. eta vs tors. theta energy: -155.622 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: 8 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1779.369561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.369561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.369561 (E_RNA) where: Base-Base interactions energy: -1221.887 where: short stacking energy: -524.395 Base-Backbone interact. energy: -1.195 local terms energy: -556.288335 where: bonds (distance) C4'-P energy: -107.528 bonds (distance) P-C4' energy: -110.685 flat angles C4'-P-C4' energy: -105.916 flat angles P-C4'-P energy: -76.004 tors. eta vs tors. theta energy: -156.155 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: 5 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -1715.194859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.194859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.194859 (E_RNA) where: Base-Base interactions energy: -1197.812 where: short stacking energy: -506.178 Base-Backbone interact. energy: -2.280 local terms energy: -515.103399 where: bonds (distance) C4'-P energy: -87.977 bonds (distance) P-C4' energy: -102.738 flat angles C4'-P-C4' energy: -108.182 flat angles P-C4'-P energy: -73.124 tors. eta vs tors. theta energy: -143.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1600.230766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.230766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.230766 (E_RNA) where: Base-Base interactions energy: -1128.398 where: short stacking energy: -463.265 Base-Backbone interact. energy: 5.224 local terms energy: -477.056086 where: bonds (distance) C4'-P energy: -83.048 bonds (distance) P-C4' energy: -87.873 flat angles C4'-P-C4' energy: -104.638 flat angles P-C4'-P energy: -68.690 tors. eta vs tors. theta energy: -132.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -1434.411810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.411810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.411810 (E_RNA) where: Base-Base interactions energy: -976.625 where: short stacking energy: -436.258 Base-Backbone interact. energy: 0.761 local terms energy: -458.547997 where: bonds (distance) C4'-P energy: -79.639 bonds (distance) P-C4' energy: -96.571 flat angles C4'-P-C4' energy: -104.796 flat angles P-C4'-P energy: -59.492 tors. eta vs tors. theta energy: -118.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -1374.463845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.463845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.463845 (E_RNA) where: Base-Base interactions energy: -929.927 where: short stacking energy: -398.107 Base-Backbone interact. energy: -1.788 local terms energy: -442.748135 where: bonds (distance) C4'-P energy: -95.248 bonds (distance) P-C4' energy: -86.430 flat angles C4'-P-C4' energy: -89.756 flat angles P-C4'-P energy: -69.459 tors. eta vs tors. theta energy: -101.856 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: 354 Temperature: 1.200000 Total energy: -1240.603072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.603072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.603072 (E_RNA) where: Base-Base interactions energy: -822.284 where: short stacking energy: -386.524 Base-Backbone interact. energy: -0.157 local terms energy: -418.162303 where: bonds (distance) C4'-P energy: -76.078 bonds (distance) P-C4' energy: -103.565 flat angles C4'-P-C4' energy: -81.131 flat angles P-C4'-P energy: -53.935 tors. eta vs tors. theta energy: -103.454 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: 8, replica: 1 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -1118.621264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.621264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.621264 (E_RNA) where: Base-Base interactions energy: -754.276 where: short stacking energy: -327.064 Base-Backbone interact. energy: -1.222 local terms energy: -363.122893 where: bonds (distance) C4'-P energy: -90.055 bonds (distance) P-C4' energy: -78.330 flat angles C4'-P-C4' energy: -78.949 flat angles P-C4'-P energy: -41.166 tors. eta vs tors. theta energy: -74.623 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: 2 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -819.530476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.530476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.530476 (E_RNA) where: Base-Base interactions energy: -493.364 where: short stacking energy: -245.464 Base-Backbone interact. energy: -3.086 local terms energy: -323.081202 where: bonds (distance) C4'-P energy: -73.030 bonds (distance) P-C4' energy: -79.289 flat angles C4'-P-C4' energy: -82.344 flat angles P-C4'-P energy: -50.035 tors. eta vs tors. theta energy: -38.383 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: 10, replica: 10 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -755.575816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.575816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.575816 (E_RNA) where: Base-Base interactions energy: -461.162 where: short stacking energy: -222.078 Base-Backbone interact. energy: 5.773 local terms energy: -300.186307 where: bonds (distance) C4'-P energy: -68.318 bonds (distance) P-C4' energy: -71.992 flat angles C4'-P-C4' energy: -74.188 flat angles P-C4'-P energy: -48.423 tors. eta vs tors. theta energy: -37.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1867.886844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.886844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.886844 (E_RNA) where: Base-Base interactions energy: -1318.267 where: short stacking energy: -550.999 Base-Backbone interact. energy: -2.923 local terms energy: -546.697312 where: bonds (distance) C4'-P energy: -107.739 bonds (distance) P-C4' energy: -94.804 flat angles C4'-P-C4' energy: -113.573 flat angles P-C4'-P energy: -75.593 tors. eta vs tors. theta energy: -154.988 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: 8 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1759.888381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.888381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.888381 (E_RNA) where: Base-Base interactions energy: -1218.874 where: short stacking energy: -518.814 Base-Backbone interact. energy: -1.303 local terms energy: -539.710880 where: bonds (distance) C4'-P energy: -100.640 bonds (distance) P-C4' energy: -93.354 flat angles C4'-P-C4' energy: -106.113 flat angles P-C4'-P energy: -81.058 tors. eta vs tors. theta energy: -158.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1739.075495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.075495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.075495 (E_RNA) where: Base-Base interactions energy: -1214.545 where: short stacking energy: -509.870 Base-Backbone interact. energy: -0.661 local terms energy: -523.869690 where: bonds (distance) C4'-P energy: -101.598 bonds (distance) P-C4' energy: -96.934 flat angles C4'-P-C4' energy: -110.764 flat angles P-C4'-P energy: -81.415 tors. eta vs tors. theta energy: -133.159 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: 355 Temperature: 1.050000 Total energy: -1629.989028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.989028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.989028 (E_RNA) where: Base-Base interactions energy: -1135.101 where: short stacking energy: -480.188 Base-Backbone interact. energy: -2.223 local terms energy: -492.665430 where: bonds (distance) C4'-P energy: -77.738 bonds (distance) P-C4' energy: -99.725 flat angles C4'-P-C4' energy: -107.841 flat angles P-C4'-P energy: -68.785 tors. eta vs tors. theta energy: -138.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -1443.836756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.836756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.836756 (E_RNA) where: Base-Base interactions energy: -977.523 where: short stacking energy: -417.016 Base-Backbone interact. energy: 1.579 local terms energy: -467.892680 where: bonds (distance) C4'-P energy: -84.568 bonds (distance) P-C4' energy: -98.367 flat angles C4'-P-C4' energy: -96.634 flat angles P-C4'-P energy: -78.578 tors. eta vs tors. theta energy: -109.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -1380.168117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.168117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.168117 (E_RNA) where: Base-Base interactions energy: -958.977 where: short stacking energy: -430.891 Base-Backbone interact. energy: -2.058 local terms energy: -419.132423 where: bonds (distance) C4'-P energy: -78.821 bonds (distance) P-C4' energy: -84.720 flat angles C4'-P-C4' energy: -79.991 flat angles P-C4'-P energy: -66.102 tors. eta vs tors. theta energy: -109.498 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: 7, replica: 4 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -1262.850365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.850365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.850365 (E_RNA) where: Base-Base interactions energy: -871.562 where: short stacking energy: -386.836 Base-Backbone interact. energy: -0.643 local terms energy: -390.644848 where: bonds (distance) C4'-P energy: -64.902 bonds (distance) P-C4' energy: -99.564 flat angles C4'-P-C4' energy: -86.859 flat angles P-C4'-P energy: -51.672 tors. eta vs tors. theta energy: -87.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -1192.525369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.525369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.525369 (E_RNA) where: Base-Base interactions energy: -783.780 where: short stacking energy: -356.557 Base-Backbone interact. energy: -3.383 local terms energy: -405.362283 where: bonds (distance) C4'-P energy: -96.012 bonds (distance) P-C4' energy: -78.126 flat angles C4'-P-C4' energy: -96.603 flat angles P-C4'-P energy: -46.914 tors. eta vs tors. theta energy: -87.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -833.529985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.529985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.529985 (E_RNA) where: Base-Base interactions energy: -504.357 where: short stacking energy: -224.030 Base-Backbone interact. energy: -1.860 local terms energy: -327.313378 where: bonds (distance) C4'-P energy: -64.825 bonds (distance) P-C4' energy: -79.840 flat angles C4'-P-C4' energy: -81.751 flat angles P-C4'-P energy: -52.727 tors. eta vs tors. theta energy: -48.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -810.353969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.353969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.353969 (E_RNA) where: Base-Base interactions energy: -480.009 where: short stacking energy: -226.709 Base-Backbone interact. energy: -1.978 local terms energy: -328.366539 where: bonds (distance) C4'-P energy: -80.440 bonds (distance) P-C4' energy: -89.407 flat angles C4'-P-C4' energy: -76.342 flat angles P-C4'-P energy: -49.736 tors. eta vs tors. theta energy: -32.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1866.406879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.406879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.406879 (E_RNA) where: Base-Base interactions energy: -1345.439 where: short stacking energy: -567.938 Base-Backbone interact. energy: -1.385 local terms energy: -519.582574 where: bonds (distance) C4'-P energy: -85.702 bonds (distance) P-C4' energy: -99.663 flat angles C4'-P-C4' energy: -99.844 flat angles P-C4'-P energy: -80.830 tors. eta vs tors. theta energy: -153.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1770.360050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.360050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.360050 (E_RNA) where: Base-Base interactions energy: -1226.833 where: short stacking energy: -520.738 Base-Backbone interact. energy: -3.364 local terms energy: -540.163059 where: bonds (distance) C4'-P energy: -81.891 bonds (distance) P-C4' energy: -103.202 flat angles C4'-P-C4' energy: -109.245 flat angles P-C4'-P energy: -81.166 tors. eta vs tors. theta energy: -164.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -1718.364164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.364164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.364164 (E_RNA) where: Base-Base interactions energy: -1202.106 where: short stacking energy: -500.568 Base-Backbone interact. energy: -2.465 local terms energy: -513.793294 where: bonds (distance) C4'-P energy: -90.176 bonds (distance) P-C4' energy: -96.591 flat angles C4'-P-C4' energy: -117.391 flat angles P-C4'-P energy: -70.855 tors. eta vs tors. theta energy: -138.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -1609.650205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.650205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.650205 (E_RNA) where: Base-Base interactions energy: -1127.867 where: short stacking energy: -476.775 Base-Backbone interact. energy: -2.717 local terms energy: -479.065937 where: bonds (distance) C4'-P energy: -93.357 bonds (distance) P-C4' energy: -95.009 flat angles C4'-P-C4' energy: -87.764 flat angles P-C4'-P energy: -67.939 tors. eta vs tors. theta energy: -134.996 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: 356 Temperature: 1.100000 Total energy: -1450.054169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1450.054169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1450.054169 (E_RNA) where: Base-Base interactions energy: -1013.647 where: short stacking energy: -436.962 Base-Backbone interact. energy: 1.527 local terms energy: -437.934106 where: bonds (distance) C4'-P energy: -73.490 bonds (distance) P-C4' energy: -80.635 flat angles C4'-P-C4' energy: -107.013 flat angles P-C4'-P energy: -60.868 tors. eta vs tors. theta energy: -115.929 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: 356 Temperature: 1.150000 Total energy: -1379.407114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.407114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.407114 (E_RNA) where: Base-Base interactions energy: -947.334 where: short stacking energy: -406.851 Base-Backbone interact. energy: -0.744 local terms energy: -431.328720 where: bonds (distance) C4'-P energy: -90.622 bonds (distance) P-C4' energy: -94.120 flat angles C4'-P-C4' energy: -85.111 flat angles P-C4'-P energy: -52.732 tors. eta vs tors. theta energy: -108.744 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: 4 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -1315.292901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.292901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.292901 (E_RNA) where: Base-Base interactions energy: -898.365 where: short stacking energy: -400.432 Base-Backbone interact. energy: 0.277 local terms energy: -417.204590 where: bonds (distance) C4'-P energy: -62.847 bonds (distance) P-C4' energy: -84.906 flat angles C4'-P-C4' energy: -99.465 flat angles P-C4'-P energy: -58.114 tors. eta vs tors. theta energy: -111.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -1168.292792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.292792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.292792 (E_RNA) where: Base-Base interactions energy: -797.639 where: short stacking energy: -334.769 Base-Backbone interact. energy: 0.565 local terms energy: -371.218751 where: bonds (distance) C4'-P energy: -74.751 bonds (distance) P-C4' energy: -65.604 flat angles C4'-P-C4' energy: -83.674 flat angles P-C4'-P energy: -64.185 tors. eta vs tors. theta energy: -83.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -914.414800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.414800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.414800 (E_RNA) where: Base-Base interactions energy: -598.870 where: short stacking energy: -269.916 Base-Backbone interact. energy: -1.570 local terms energy: -313.975155 where: bonds (distance) C4'-P energy: -66.239 bonds (distance) P-C4' energy: -82.546 flat angles C4'-P-C4' energy: -84.354 flat angles P-C4'-P energy: -39.251 tors. eta vs tors. theta energy: -41.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -730.290895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.290895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.290895 (E_RNA) where: Base-Base interactions energy: -442.779 where: short stacking energy: -210.008 Base-Backbone interact. energy: 7.667 local terms energy: -295.178506 where: bonds (distance) C4'-P energy: -71.774 bonds (distance) P-C4' energy: -76.863 flat angles C4'-P-C4' energy: -71.701 flat angles P-C4'-P energy: -47.133 tors. eta vs tors. theta energy: -27.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1873.975612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1873.975612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1873.975612 (E_RNA) where: Base-Base interactions energy: -1340.365 where: short stacking energy: -559.213 Base-Backbone interact. energy: 1.190 local terms energy: -534.800280 where: bonds (distance) C4'-P energy: -92.152 bonds (distance) P-C4' energy: -104.174 flat angles C4'-P-C4' energy: -113.573 flat angles P-C4'-P energy: -71.044 tors. eta vs tors. theta energy: -153.857 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: 8 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1757.447700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.447700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.447700 (E_RNA) where: Base-Base interactions energy: -1238.271 where: short stacking energy: -521.440 Base-Backbone interact. energy: 0.012 local terms energy: -519.188181 where: bonds (distance) C4'-P energy: -95.126 bonds (distance) P-C4' energy: -88.372 flat angles C4'-P-C4' energy: -101.030 flat angles P-C4'-P energy: -80.195 tors. eta vs tors. theta energy: -154.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1737.256863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.256863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.256863 (E_RNA) where: Base-Base interactions energy: -1204.787 where: short stacking energy: -505.672 Base-Backbone interact. energy: -5.088 local terms energy: -527.381638 where: bonds (distance) C4'-P energy: -95.444 bonds (distance) P-C4' energy: -92.646 flat angles C4'-P-C4' energy: -112.003 flat angles P-C4'-P energy: -75.289 tors. eta vs tors. theta energy: -151.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -1611.118395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.118395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.118395 (E_RNA) where: Base-Base interactions energy: -1132.799 where: short stacking energy: -486.426 Base-Backbone interact. energy: -1.412 local terms energy: -476.907013 where: bonds (distance) C4'-P energy: -81.279 bonds (distance) P-C4' energy: -95.934 flat angles C4'-P-C4' energy: -106.787 flat angles P-C4'-P energy: -61.318 tors. eta vs tors. theta energy: -131.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -1454.055692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1454.055692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1454.055692 (E_RNA) where: Base-Base interactions energy: -995.244 where: short stacking energy: -438.159 Base-Backbone interact. energy: -0.933 local terms energy: -457.879228 where: bonds (distance) C4'-P energy: -81.720 bonds (distance) P-C4' energy: -89.277 flat angles C4'-P-C4' energy: -94.966 flat angles P-C4'-P energy: -63.904 tors. eta vs tors. theta energy: -128.011 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: 9 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -1370.562642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.562642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.562642 (E_RNA) where: Base-Base interactions energy: -966.289 where: short stacking energy: -407.631 Base-Backbone interact. energy: -0.309 local terms energy: -403.964728 where: bonds (distance) C4'-P energy: -79.101 bonds (distance) P-C4' energy: -75.232 flat angles C4'-P-C4' energy: -98.873 flat angles P-C4'-P energy: -56.719 tors. eta vs tors. theta energy: -94.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -1324.625125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1324.625125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1324.625125 (E_RNA) where: Base-Base interactions energy: -889.355 where: short stacking energy: -407.329 Base-Backbone interact. energy: -1.454 local terms energy: -433.816569 where: bonds (distance) C4'-P energy: -70.082 bonds (distance) P-C4' energy: -93.206 flat angles C4'-P-C4' energy: -92.769 flat angles P-C4'-P energy: -61.373 tors. eta vs tors. theta energy: -116.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -1197.490179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.490179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.490179 (E_RNA) where: Base-Base interactions energy: -798.842 where: short stacking energy: -365.696 Base-Backbone interact. energy: -1.256 local terms energy: -397.392566 where: bonds (distance) C4'-P energy: -84.388 bonds (distance) P-C4' energy: -77.739 flat angles C4'-P-C4' energy: -82.249 flat angles P-C4'-P energy: -60.475 tors. eta vs tors. theta energy: -92.542 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: 9, replica: 2 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -946.278858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.278858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.278858 (E_RNA) where: Base-Base interactions energy: -638.390 where: short stacking energy: -298.941 Base-Backbone interact. energy: 3.486 local terms energy: -311.374585 where: bonds (distance) C4'-P energy: -62.316 bonds (distance) P-C4' energy: -86.582 flat angles C4'-P-C4' energy: -79.004 flat angles P-C4'-P energy: -34.817 tors. eta vs tors. theta energy: -48.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -714.638266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.638266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.638266 (E_RNA) where: Base-Base interactions energy: -428.451 where: short stacking energy: -219.211 Base-Backbone interact. energy: 1.041 local terms energy: -287.228446 where: bonds (distance) C4'-P energy: -75.760 bonds (distance) P-C4' energy: -78.926 flat angles C4'-P-C4' energy: -86.548 flat angles P-C4'-P energy: -24.005 tors. eta vs tors. theta energy: -21.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1888.614849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.614849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.614849 (E_RNA) where: Base-Base interactions energy: -1364.312 where: short stacking energy: -572.322 Base-Backbone interact. energy: -0.536 local terms energy: -523.766829 where: bonds (distance) C4'-P energy: -98.930 bonds (distance) P-C4' energy: -88.289 flat angles C4'-P-C4' energy: -110.548 flat angles P-C4'-P energy: -73.770 tors. eta vs tors. theta energy: -152.229 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: 2, replica: 8 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1749.631727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.631727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.631727 (E_RNA) where: Base-Base interactions energy: -1216.935 where: short stacking energy: -526.579 Base-Backbone interact. energy: -2.470 local terms energy: -530.227239 where: bonds (distance) C4'-P energy: -100.223 bonds (distance) P-C4' energy: -96.823 flat angles C4'-P-C4' energy: -110.750 flat angles P-C4'-P energy: -67.332 tors. eta vs tors. theta energy: -155.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1717.427648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.427648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.427648 (E_RNA) where: Base-Base interactions energy: -1219.758 where: short stacking energy: -492.425 Base-Backbone interact. energy: -2.380 local terms energy: -495.290524 where: bonds (distance) C4'-P energy: -87.850 bonds (distance) P-C4' energy: -99.278 flat angles C4'-P-C4' energy: -105.147 flat angles P-C4'-P energy: -60.588 tors. eta vs tors. theta energy: -142.428 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: 3 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1593.348417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.348417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.348417 (E_RNA) where: Base-Base interactions energy: -1105.342 where: short stacking energy: -455.304 Base-Backbone interact. energy: -1.583 local terms energy: -486.424058 where: bonds (distance) C4'-P energy: -99.514 bonds (distance) P-C4' energy: -96.518 flat angles C4'-P-C4' energy: -98.292 flat angles P-C4'-P energy: -67.785 tors. eta vs tors. theta energy: -124.315 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: 5, replica: 7 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -1448.225389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.225389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.225389 (E_RNA) where: Base-Base interactions energy: -977.507 where: short stacking energy: -436.364 Base-Backbone interact. energy: 1.590 local terms energy: -472.307745 where: bonds (distance) C4'-P energy: -80.839 bonds (distance) P-C4' energy: -93.927 flat angles C4'-P-C4' energy: -103.963 flat angles P-C4'-P energy: -74.283 tors. eta vs tors. theta energy: -119.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -1410.857504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.857504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.857504 (E_RNA) where: Base-Base interactions energy: -981.380 where: short stacking energy: -415.766 Base-Backbone interact. energy: -0.834 local terms energy: -428.643073 where: bonds (distance) C4'-P energy: -78.704 bonds (distance) P-C4' energy: -74.100 flat angles C4'-P-C4' energy: -99.625 flat angles P-C4'-P energy: -51.229 tors. eta vs tors. theta energy: -124.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -1329.181695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.181695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.181695 (E_RNA) where: Base-Base interactions energy: -928.441 where: short stacking energy: -390.125 Base-Backbone interact. energy: 5.878 local terms energy: -406.618693 where: bonds (distance) C4'-P energy: -76.524 bonds (distance) P-C4' energy: -86.707 flat angles C4'-P-C4' energy: -95.531 flat angles P-C4'-P energy: -48.307 tors. eta vs tors. theta energy: -99.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -1201.123484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.123484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.123484 (E_RNA) where: Base-Base interactions energy: -823.869 where: short stacking energy: -371.326 Base-Backbone interact. energy: -0.007 local terms energy: -377.247045 where: bonds (distance) C4'-P energy: -68.766 bonds (distance) P-C4' energy: -80.948 flat angles C4'-P-C4' energy: -75.923 flat angles P-C4'-P energy: -57.192 tors. eta vs tors. theta energy: -94.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -917.589153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.589153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.589153 (E_RNA) where: Base-Base interactions energy: -600.219 where: short stacking energy: -258.070 Base-Backbone interact. energy: 0.292 local terms energy: -317.662693 where: bonds (distance) C4'-P energy: -75.560 bonds (distance) P-C4' energy: -87.460 flat angles C4'-P-C4' energy: -75.445 flat angles P-C4'-P energy: -33.163 tors. eta vs tors. theta energy: -46.035 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: 358 Temperature: 1.350000 Total energy: -694.417883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.417883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.417883 (E_RNA) where: Base-Base interactions energy: -393.886 where: short stacking energy: -200.298 Base-Backbone interact. energy: 2.791 local terms energy: -303.322173 where: bonds (distance) C4'-P energy: -85.598 bonds (distance) P-C4' energy: -71.818 flat angles C4'-P-C4' energy: -81.048 flat angles P-C4'-P energy: -50.809 tors. eta vs tors. theta energy: -14.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1883.179707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.179707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.179707 (E_RNA) where: Base-Base interactions energy: -1328.570 where: short stacking energy: -574.263 Base-Backbone interact. energy: -2.096 local terms energy: -552.514036 where: bonds (distance) C4'-P energy: -101.026 bonds (distance) P-C4' energy: -94.870 flat angles C4'-P-C4' energy: -122.018 flat angles P-C4'-P energy: -78.137 tors. eta vs tors. theta energy: -156.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1757.206789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.206789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.206789 (E_RNA) where: Base-Base interactions energy: -1234.514 where: short stacking energy: -519.554 Base-Backbone interact. energy: -0.585 local terms energy: -522.107974 where: bonds (distance) C4'-P energy: -99.228 bonds (distance) P-C4' energy: -98.693 flat angles C4'-P-C4' energy: -106.171 flat angles P-C4'-P energy: -79.881 tors. eta vs tors. theta energy: -138.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1728.876389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1728.876389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1728.876389 (E_RNA) where: Base-Base interactions energy: -1213.597 where: short stacking energy: -508.497 Base-Backbone interact. energy: -2.337 local terms energy: -512.942586 where: bonds (distance) C4'-P energy: -105.615 bonds (distance) P-C4' energy: -84.207 flat angles C4'-P-C4' energy: -103.389 flat angles P-C4'-P energy: -67.804 tors. eta vs tors. theta energy: -151.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1587.133617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.133617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.133617 (E_RNA) where: Base-Base interactions energy: -1099.748 where: short stacking energy: -459.928 Base-Backbone interact. energy: -2.665 local terms energy: -484.719878 where: bonds (distance) C4'-P energy: -80.342 bonds (distance) P-C4' energy: -94.687 flat angles C4'-P-C4' energy: -107.288 flat angles P-C4'-P energy: -76.697 tors. eta vs tors. theta energy: -125.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -1464.940556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1464.940556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1464.940556 (E_RNA) where: Base-Base interactions energy: -982.417 where: short stacking energy: -451.393 Base-Backbone interact. energy: -1.180 local terms energy: -481.342859 where: bonds (distance) C4'-P energy: -98.269 bonds (distance) P-C4' energy: -93.521 flat angles C4'-P-C4' energy: -102.497 flat angles P-C4'-P energy: -68.244 tors. eta vs tors. theta energy: -118.812 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: 9 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -1412.084368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.084368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.084368 (E_RNA) where: Base-Base interactions energy: -980.840 where: short stacking energy: -444.795 Base-Backbone interact. energy: -0.699 local terms energy: -430.544936 where: bonds (distance) C4'-P energy: -79.985 bonds (distance) P-C4' energy: -89.560 flat angles C4'-P-C4' energy: -86.323 flat angles P-C4'-P energy: -60.731 tors. eta vs tors. theta energy: -113.946 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: 7, replica: 4 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -1357.692844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.692844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.692844 (E_RNA) where: Base-Base interactions energy: -934.730 where: short stacking energy: -402.885 Base-Backbone interact. energy: -1.262 local terms energy: -421.700762 where: bonds (distance) C4'-P energy: -71.206 bonds (distance) P-C4' energy: -81.617 flat angles C4'-P-C4' energy: -93.077 flat angles P-C4'-P energy: -57.044 tors. eta vs tors. theta energy: -118.756 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: 1 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -1163.807464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.807464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.807464 (E_RNA) where: Base-Base interactions energy: -793.457 where: short stacking energy: -380.879 Base-Backbone interact. energy: -2.084 local terms energy: -368.266643 where: bonds (distance) C4'-P energy: -56.766 bonds (distance) P-C4' energy: -65.546 flat angles C4'-P-C4' energy: -104.937 flat angles P-C4'-P energy: -51.185 tors. eta vs tors. theta energy: -89.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -865.100809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.100809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.100809 (E_RNA) where: Base-Base interactions energy: -584.916 where: short stacking energy: -257.536 Base-Backbone interact. energy: 1.528 local terms energy: -281.712661 where: bonds (distance) C4'-P energy: -66.517 bonds (distance) P-C4' energy: -70.708 flat angles C4'-P-C4' energy: -79.928 flat angles P-C4'-P energy: -41.811 tors. eta vs tors. theta energy: -22.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -693.333113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.333113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.333113 (E_RNA) where: Base-Base interactions energy: -420.755 where: short stacking energy: -203.318 Base-Backbone interact. energy: -1.352 local terms energy: -271.226064 where: bonds (distance) C4'-P energy: -77.079 bonds (distance) P-C4' energy: -83.972 flat angles C4'-P-C4' energy: -70.459 flat angles P-C4'-P energy: -32.228 tors. eta vs tors. theta energy: -7.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1870.534249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.534249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.534249 (E_RNA) where: Base-Base interactions energy: -1324.589 where: short stacking energy: -550.088 Base-Backbone interact. energy: -1.254 local terms energy: -544.691180 where: bonds (distance) C4'-P energy: -91.220 bonds (distance) P-C4' energy: -93.693 flat angles C4'-P-C4' energy: -118.249 flat angles P-C4'-P energy: -81.423 tors. eta vs tors. theta energy: -160.107 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: 5 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1766.607793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.607793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.607793 (E_RNA) where: Base-Base interactions energy: -1228.483 where: short stacking energy: -517.988 Base-Backbone interact. energy: 1.360 local terms energy: -539.484412 where: bonds (distance) C4'-P energy: -101.588 bonds (distance) P-C4' energy: -92.753 flat angles C4'-P-C4' energy: -114.769 flat angles P-C4'-P energy: -84.254 tors. eta vs tors. theta energy: -146.121 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: 8 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1735.982186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.982186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.982186 (E_RNA) where: Base-Base interactions energy: -1211.836 where: short stacking energy: -521.623 Base-Backbone interact. energy: -2.667 local terms energy: -521.479159 where: bonds (distance) C4'-P energy: -91.416 bonds (distance) P-C4' energy: -94.471 flat angles C4'-P-C4' energy: -114.787 flat angles P-C4'-P energy: -71.778 tors. eta vs tors. theta energy: -149.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1588.979642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1588.979642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1588.979642 (E_RNA) where: Base-Base interactions energy: -1103.145 where: short stacking energy: -478.683 Base-Backbone interact. energy: -0.459 local terms energy: -485.376052 where: bonds (distance) C4'-P energy: -96.407 bonds (distance) P-C4' energy: -85.828 flat angles C4'-P-C4' energy: -99.573 flat angles P-C4'-P energy: -68.937 tors. eta vs tors. theta energy: -134.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -1498.792960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.792960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.792960 (E_RNA) where: Base-Base interactions energy: -1016.629 where: short stacking energy: -442.853 Base-Backbone interact. energy: -4.738 local terms energy: -477.425512 where: bonds (distance) C4'-P energy: -93.364 bonds (distance) P-C4' energy: -92.952 flat angles C4'-P-C4' energy: -102.097 flat angles P-C4'-P energy: -67.857 tors. eta vs tors. theta energy: -121.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -1396.330645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.330645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.330645 (E_RNA) where: Base-Base interactions energy: -959.028 where: short stacking energy: -435.327 Base-Backbone interact. energy: -1.785 local terms energy: -435.517947 where: bonds (distance) C4'-P energy: -68.254 bonds (distance) P-C4' energy: -90.271 flat angles C4'-P-C4' energy: -107.675 flat angles P-C4'-P energy: -51.732 tors. eta vs tors. theta energy: -117.585 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: 7, replica: 4 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -1344.321045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.321045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.321045 (E_RNA) where: Base-Base interactions energy: -928.859 where: short stacking energy: -399.809 Base-Backbone interact. energy: -2.245 local terms energy: -413.217027 where: bonds (distance) C4'-P energy: -65.547 bonds (distance) P-C4' energy: -98.797 flat angles C4'-P-C4' energy: -86.781 flat angles P-C4'-P energy: -51.042 tors. eta vs tors. theta energy: -111.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -1190.431902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.431902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.431902 (E_RNA) where: Base-Base interactions energy: -793.837 where: short stacking energy: -365.006 Base-Backbone interact. energy: -0.910 local terms energy: -395.685450 where: bonds (distance) C4'-P energy: -78.311 bonds (distance) P-C4' energy: -87.700 flat angles C4'-P-C4' energy: -98.761 flat angles P-C4'-P energy: -49.199 tors. eta vs tors. theta energy: -81.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -903.563567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.563567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.563567 (E_RNA) where: Base-Base interactions energy: -586.277 where: short stacking energy: -248.655 Base-Backbone interact. energy: -1.239 local terms energy: -316.047791 where: bonds (distance) C4'-P energy: -81.006 bonds (distance) P-C4' energy: -80.307 flat angles C4'-P-C4' energy: -72.827 flat angles P-C4'-P energy: -53.505 tors. eta vs tors. theta energy: -28.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -739.521789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.521789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.521789 (E_RNA) where: Base-Base interactions energy: -436.048 where: short stacking energy: -212.984 Base-Backbone interact. energy: 0.645 local terms energy: -304.119487 where: bonds (distance) C4'-P energy: -72.480 bonds (distance) P-C4' energy: -80.198 flat angles C4'-P-C4' energy: -66.957 flat angles P-C4'-P energy: -47.565 tors. eta vs tors. theta energy: -36.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1858.098169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.098169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.098169 (E_RNA) where: Base-Base interactions energy: -1316.032 where: short stacking energy: -553.677 Base-Backbone interact. energy: -3.631 local terms energy: -538.434516 where: bonds (distance) C4'-P energy: -91.548 bonds (distance) P-C4' energy: -107.278 flat angles C4'-P-C4' energy: -116.792 flat angles P-C4'-P energy: -70.440 tors. eta vs tors. theta energy: -152.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1767.384720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.384720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.384720 (E_RNA) where: Base-Base interactions energy: -1255.130 where: short stacking energy: -528.384 Base-Backbone interact. energy: -2.061 local terms energy: -510.193449 where: bonds (distance) C4'-P energy: -82.052 bonds (distance) P-C4' energy: -95.804 flat angles C4'-P-C4' energy: -104.589 flat angles P-C4'-P energy: -81.442 tors. eta vs tors. theta energy: -146.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1733.081637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.081637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.081637 (E_RNA) where: Base-Base interactions energy: -1208.342 where: short stacking energy: -503.465 Base-Backbone interact. energy: -2.488 local terms energy: -522.251068 where: bonds (distance) C4'-P energy: -97.378 bonds (distance) P-C4' energy: -97.309 flat angles C4'-P-C4' energy: -106.961 flat angles P-C4'-P energy: -76.544 tors. eta vs tors. theta energy: -144.060 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: 4, replica: 3 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -1618.766463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1618.766463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1618.766463 (E_RNA) where: Base-Base interactions energy: -1124.551 where: short stacking energy: -483.824 Base-Backbone interact. energy: -1.422 local terms energy: -492.793616 where: bonds (distance) C4'-P energy: -97.653 bonds (distance) P-C4' energy: -91.845 flat angles C4'-P-C4' energy: -100.488 flat angles P-C4'-P energy: -69.098 tors. eta vs tors. theta energy: -133.710 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: 7 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -1469.344476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1469.344476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1469.344476 (E_RNA) where: Base-Base interactions energy: -1022.406 where: short stacking energy: -432.704 Base-Backbone interact. energy: -1.508 local terms energy: -445.430105 where: bonds (distance) C4'-P energy: -96.290 bonds (distance) P-C4' energy: -75.451 flat angles C4'-P-C4' energy: -107.013 flat angles P-C4'-P energy: -57.860 tors. eta vs tors. theta energy: -108.816 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: 6, replica: 9 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -1429.659493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1429.659493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1429.659493 (E_RNA) where: Base-Base interactions energy: -1003.589 where: short stacking energy: -423.914 Base-Backbone interact. energy: 0.704 local terms energy: -426.774144 where: bonds (distance) C4'-P energy: -80.524 bonds (distance) P-C4' energy: -85.040 flat angles C4'-P-C4' energy: -86.058 flat angles P-C4'-P energy: -64.680 tors. eta vs tors. theta energy: -110.473 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: 4 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -1348.618162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1348.618162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1348.618162 (E_RNA) where: Base-Base interactions energy: -893.864 where: short stacking energy: -416.576 Base-Backbone interact. energy: -3.272 local terms energy: -451.482618 where: bonds (distance) C4'-P energy: -84.966 bonds (distance) P-C4' energy: -93.003 flat angles C4'-P-C4' energy: -94.544 flat angles P-C4'-P energy: -63.112 tors. eta vs tors. theta energy: -115.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -1198.913020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.913020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.913020 (E_RNA) where: Base-Base interactions energy: -822.948 where: short stacking energy: -369.076 Base-Backbone interact. energy: -1.165 local terms energy: -374.799697 where: bonds (distance) C4'-P energy: -75.932 bonds (distance) P-C4' energy: -75.725 flat angles C4'-P-C4' energy: -89.827 flat angles P-C4'-P energy: -45.314 tors. eta vs tors. theta energy: -88.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -929.121737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.121737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.121737 (E_RNA) where: Base-Base interactions energy: -609.303 where: short stacking energy: -280.684 Base-Backbone interact. energy: 1.841 local terms energy: -321.660509 where: bonds (distance) C4'-P energy: -80.774 bonds (distance) P-C4' energy: -79.935 flat angles C4'-P-C4' energy: -67.749 flat angles P-C4'-P energy: -49.660 tors. eta vs tors. theta energy: -43.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -705.508317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.508317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.508317 (E_RNA) where: Base-Base interactions energy: -411.253 where: short stacking energy: -213.063 Base-Backbone interact. energy: 0.424 local terms energy: -294.680002 where: bonds (distance) C4'-P energy: -53.518 bonds (distance) P-C4' energy: -86.487 flat angles C4'-P-C4' energy: -76.051 flat angles P-C4'-P energy: -58.686 tors. eta vs tors. theta energy: -19.939 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: 1, replica: 6 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1870.144901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.144901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.144901 (E_RNA) where: Base-Base interactions energy: -1335.498 where: short stacking energy: -558.490 Base-Backbone interact. energy: -2.897 local terms energy: -531.750406 where: bonds (distance) C4'-P energy: -98.273 bonds (distance) P-C4' energy: -93.698 flat angles C4'-P-C4' energy: -113.129 flat angles P-C4'-P energy: -72.291 tors. eta vs tors. theta energy: -154.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1753.315585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1753.315585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1753.315585 (E_RNA) where: Base-Base interactions energy: -1207.249 where: short stacking energy: -526.358 Base-Backbone interact. energy: -2.112 local terms energy: -543.954953 where: bonds (distance) C4'-P energy: -92.424 bonds (distance) P-C4' energy: -97.474 flat angles C4'-P-C4' energy: -118.717 flat angles P-C4'-P energy: -75.120 tors. eta vs tors. theta energy: -160.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1720.323045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.323045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.323045 (E_RNA) where: Base-Base interactions energy: -1219.272 where: short stacking energy: -522.554 Base-Backbone interact. energy: -4.181 local terms energy: -496.870267 where: bonds (distance) C4'-P energy: -79.206 bonds (distance) P-C4' energy: -87.218 flat angles C4'-P-C4' energy: -105.630 flat angles P-C4'-P energy: -79.827 tors. eta vs tors. theta energy: -144.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -1624.246280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.246280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.246280 (E_RNA) where: Base-Base interactions energy: -1114.244 where: short stacking energy: -481.658 Base-Backbone interact. energy: -2.410 local terms energy: -507.592126 where: bonds (distance) C4'-P energy: -88.404 bonds (distance) P-C4' energy: -99.571 flat angles C4'-P-C4' energy: -108.210 flat angles P-C4'-P energy: -73.122 tors. eta vs tors. theta energy: -138.285 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: 362 Temperature: 1.100000 Total energy: -1448.210660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1448.210660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1448.210660 (E_RNA) where: Base-Base interactions energy: -1021.586 where: short stacking energy: -426.580 Base-Backbone interact. energy: -0.645 local terms energy: -425.980024 where: bonds (distance) C4'-P energy: -79.838 bonds (distance) P-C4' energy: -77.500 flat angles C4'-P-C4' energy: -86.156 flat angles P-C4'-P energy: -70.897 tors. eta vs tors. theta energy: -111.589 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: 7 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -1410.718542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.718542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.718542 (E_RNA) where: Base-Base interactions energy: -989.499 where: short stacking energy: -422.552 Base-Backbone interact. energy: -2.377 local terms energy: -418.842888 where: bonds (distance) C4'-P energy: -67.168 bonds (distance) P-C4' energy: -92.655 flat angles C4'-P-C4' energy: -97.565 flat angles P-C4'-P energy: -52.932 tors. eta vs tors. theta energy: -108.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -1350.374641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.374641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.374641 (E_RNA) where: Base-Base interactions energy: -918.496 where: short stacking energy: -409.353 Base-Backbone interact. energy: -1.404 local terms energy: -430.474853 where: bonds (distance) C4'-P energy: -78.109 bonds (distance) P-C4' energy: -76.563 flat angles C4'-P-C4' energy: -93.960 flat angles P-C4'-P energy: -64.833 tors. eta vs tors. theta energy: -117.009 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: 8, replica: 1 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -1185.683016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.683016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.683016 (E_RNA) where: Base-Base interactions energy: -787.726 where: short stacking energy: -341.779 Base-Backbone interact. energy: -0.738 local terms energy: -397.219333 where: bonds (distance) C4'-P energy: -82.044 bonds (distance) P-C4' energy: -71.318 flat angles C4'-P-C4' energy: -98.120 flat angles P-C4'-P energy: -66.573 tors. eta vs tors. theta energy: -79.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -877.088986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.088986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.088986 (E_RNA) where: Base-Base interactions energy: -540.461 where: short stacking energy: -273.815 Base-Backbone interact. energy: -1.923 local terms energy: -334.704979 where: bonds (distance) C4'-P energy: -81.085 bonds (distance) P-C4' energy: -91.023 flat angles C4'-P-C4' energy: -85.386 flat angles P-C4'-P energy: -34.784 tors. eta vs tors. theta energy: -42.427 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: 362 Temperature: 1.350000 Total energy: -688.040020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.040020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.040020 (E_RNA) where: Base-Base interactions energy: -405.138 where: short stacking energy: -191.097 Base-Backbone interact. energy: 0.677 local terms energy: -283.578906 where: bonds (distance) C4'-P energy: -69.983 bonds (distance) P-C4' energy: -85.158 flat angles C4'-P-C4' energy: -71.824 flat angles P-C4'-P energy: -47.099 tors. eta vs tors. theta energy: -9.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1875.715947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.715947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.715947 (E_RNA) where: Base-Base interactions energy: -1321.762 where: short stacking energy: -556.200 Base-Backbone interact. energy: -2.662 local terms energy: -551.291966 where: bonds (distance) C4'-P energy: -95.523 bonds (distance) P-C4' energy: -101.528 flat angles C4'-P-C4' energy: -117.795 flat angles P-C4'-P energy: -78.645 tors. eta vs tors. theta energy: -157.801 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: 8 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1751.376238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.376238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.376238 (E_RNA) where: Base-Base interactions energy: -1215.933 where: short stacking energy: -528.812 Base-Backbone interact. energy: -3.119 local terms energy: -532.324197 where: bonds (distance) C4'-P energy: -96.778 bonds (distance) P-C4' energy: -102.609 flat angles C4'-P-C4' energy: -108.971 flat angles P-C4'-P energy: -68.287 tors. eta vs tors. theta energy: -155.679 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: 5 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1752.286205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.286205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.286205 (E_RNA) where: Base-Base interactions energy: -1222.941 where: short stacking energy: -537.944 Base-Backbone interact. energy: -2.453 local terms energy: -526.891576 where: bonds (distance) C4'-P energy: -92.849 bonds (distance) P-C4' energy: -98.821 flat angles C4'-P-C4' energy: -110.863 flat angles P-C4'-P energy: -74.080 tors. eta vs tors. theta energy: -150.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1587.959225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.959225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.959225 (E_RNA) where: Base-Base interactions energy: -1113.097 where: short stacking energy: -473.475 Base-Backbone interact. energy: -2.924 local terms energy: -471.938758 where: bonds (distance) C4'-P energy: -84.087 bonds (distance) P-C4' energy: -87.221 flat angles C4'-P-C4' energy: -102.086 flat angles P-C4'-P energy: -62.707 tors. eta vs tors. theta energy: -135.838 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: 9 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -1403.794667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.794667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.794667 (E_RNA) where: Base-Base interactions energy: -982.154 where: short stacking energy: -419.011 Base-Backbone interact. energy: 2.260 local terms energy: -423.900370 where: bonds (distance) C4'-P energy: -88.184 bonds (distance) P-C4' energy: -74.197 flat angles C4'-P-C4' energy: -97.498 flat angles P-C4'-P energy: -63.135 tors. eta vs tors. theta energy: -100.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -1401.612259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.612259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.612259 (E_RNA) where: Base-Base interactions energy: -982.881 where: short stacking energy: -395.495 Base-Backbone interact. energy: 1.266 local terms energy: -419.997938 where: bonds (distance) C4'-P energy: -75.790 bonds (distance) P-C4' energy: -81.223 flat angles C4'-P-C4' energy: -92.205 flat angles P-C4'-P energy: -68.884 tors. eta vs tors. theta energy: -101.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -1295.256495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.256495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.256495 (E_RNA) where: Base-Base interactions energy: -890.911 where: short stacking energy: -409.733 Base-Backbone interact. energy: -1.990 local terms energy: -402.354618 where: bonds (distance) C4'-P energy: -78.600 bonds (distance) P-C4' energy: -61.810 flat angles C4'-P-C4' energy: -99.339 flat angles P-C4'-P energy: -51.513 tors. eta vs tors. theta energy: -111.092 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: 8, replica: 1 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -1170.786051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.786051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.786051 (E_RNA) where: Base-Base interactions energy: -798.763 where: short stacking energy: -349.141 Base-Backbone interact. energy: 0.206 local terms energy: -372.229453 where: bonds (distance) C4'-P energy: -76.078 bonds (distance) P-C4' energy: -82.778 flat angles C4'-P-C4' energy: -63.981 flat angles P-C4'-P energy: -59.898 tors. eta vs tors. theta energy: -89.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -883.376858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.376858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.376858 (E_RNA) where: Base-Base interactions energy: -550.239 where: short stacking energy: -278.052 Base-Backbone interact. energy: -3.496 local terms energy: -329.642195 where: bonds (distance) C4'-P energy: -80.327 bonds (distance) P-C4' energy: -79.726 flat angles C4'-P-C4' energy: -72.291 flat angles P-C4'-P energy: -58.345 tors. eta vs tors. theta energy: -38.954 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: 363 Temperature: 1.350000 Total energy: -746.388604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.388604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.388604 (E_RNA) where: Base-Base interactions energy: -456.643 where: short stacking energy: -216.187 Base-Backbone interact. energy: 0.192 local terms energy: -289.937790 where: bonds (distance) C4'-P energy: -80.503 bonds (distance) P-C4' energy: -63.038 flat angles C4'-P-C4' energy: -77.336 flat angles P-C4'-P energy: -45.598 tors. eta vs tors. theta energy: -23.463 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: 1, replica: 8 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1795.560665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.560665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.560665 (E_RNA) where: Base-Base interactions energy: -1252.197 where: short stacking energy: -520.714 Base-Backbone interact. energy: -1.430 local terms energy: -541.933588 where: bonds (distance) C4'-P energy: -94.275 bonds (distance) P-C4' energy: -110.517 flat angles C4'-P-C4' energy: -109.644 flat angles P-C4'-P energy: -74.939 tors. eta vs tors. theta energy: -152.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1820.136756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1820.136756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1820.136756 (E_RNA) where: Base-Base interactions energy: -1298.030 where: short stacking energy: -535.821 Base-Backbone interact. energy: 1.634 local terms energy: -523.740578 where: bonds (distance) C4'-P energy: -84.894 bonds (distance) P-C4' energy: -100.901 flat angles C4'-P-C4' energy: -108.921 flat angles P-C4'-P energy: -81.373 tors. eta vs tors. theta energy: -147.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1662.734275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1662.734275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1662.734275 (E_RNA) where: Base-Base interactions energy: -1191.787 where: short stacking energy: -500.541 Base-Backbone interact. energy: 0.166 local terms energy: -471.113258 where: bonds (distance) C4'-P energy: -82.832 bonds (distance) P-C4' energy: -90.332 flat angles C4'-P-C4' energy: -99.752 flat angles P-C4'-P energy: -67.212 tors. eta vs tors. theta energy: -130.985 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: 364 Temperature: 1.050000 Total energy: -1652.630084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1652.630084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1652.630084 (E_RNA) where: Base-Base interactions energy: -1163.716 where: short stacking energy: -484.565 Base-Backbone interact. energy: -1.887 local terms energy: -487.027759 where: bonds (distance) C4'-P energy: -86.722 bonds (distance) P-C4' energy: -97.178 flat angles C4'-P-C4' energy: -95.970 flat angles P-C4'-P energy: -73.129 tors. eta vs tors. theta energy: -134.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -1439.037214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.037214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.037214 (E_RNA) where: Base-Base interactions energy: -990.208 where: short stacking energy: -429.371 Base-Backbone interact. energy: 3.464 local terms energy: -452.293002 where: bonds (distance) C4'-P energy: -80.497 bonds (distance) P-C4' energy: -92.003 flat angles C4'-P-C4' energy: -104.106 flat angles P-C4'-P energy: -59.245 tors. eta vs tors. theta energy: -116.442 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: 9 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -1397.534112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.534112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.534112 (E_RNA) where: Base-Base interactions energy: -960.448 where: short stacking energy: -421.082 Base-Backbone interact. energy: -0.615 local terms energy: -436.471537 where: bonds (distance) C4'-P energy: -92.648 bonds (distance) P-C4' energy: -78.264 flat angles C4'-P-C4' energy: -95.969 flat angles P-C4'-P energy: -57.620 tors. eta vs tors. theta energy: -111.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -1356.588188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.588188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.588188 (E_RNA) where: Base-Base interactions energy: -932.580 where: short stacking energy: -404.012 Base-Backbone interact. energy: 1.079 local terms energy: -425.087119 where: bonds (distance) C4'-P energy: -75.041 bonds (distance) P-C4' energy: -85.023 flat angles C4'-P-C4' energy: -84.774 flat angles P-C4'-P energy: -68.986 tors. eta vs tors. theta energy: -111.263 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: 8, replica: 1 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -1191.093729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.093729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.093729 (E_RNA) where: Base-Base interactions energy: -781.922 where: short stacking energy: -341.131 Base-Backbone interact. energy: 0.822 local terms energy: -409.993775 where: bonds (distance) C4'-P energy: -81.659 bonds (distance) P-C4' energy: -90.277 flat angles C4'-P-C4' energy: -91.092 flat angles P-C4'-P energy: -62.160 tors. eta vs tors. theta energy: -84.805 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: 9, replica: 2 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -865.356878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.356878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.356878 (E_RNA) where: Base-Base interactions energy: -570.122 where: short stacking energy: -244.184 Base-Backbone interact. energy: 2.006 local terms energy: -297.241712 where: bonds (distance) C4'-P energy: -70.406 bonds (distance) P-C4' energy: -54.645 flat angles C4'-P-C4' energy: -76.491 flat angles P-C4'-P energy: -56.123 tors. eta vs tors. theta energy: -39.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -777.410927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.410927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.410927 (E_RNA) where: Base-Base interactions energy: -480.469 where: short stacking energy: -208.003 Base-Backbone interact. energy: 3.481 local terms energy: -300.423648 where: bonds (distance) C4'-P energy: -75.460 bonds (distance) P-C4' energy: -75.745 flat angles C4'-P-C4' energy: -74.983 flat angles P-C4'-P energy: -42.932 tors. eta vs tors. theta energy: -31.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1809.404209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1809.404209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1809.404209 (E_RNA) where: Base-Base interactions energy: -1264.363 where: short stacking energy: -532.241 Base-Backbone interact. energy: -1.207 local terms energy: -543.834392 where: bonds (distance) C4'-P energy: -100.558 bonds (distance) P-C4' energy: -99.967 flat angles C4'-P-C4' energy: -112.364 flat angles P-C4'-P energy: -70.020 tors. eta vs tors. theta energy: -160.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1828.251505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1828.251505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1828.251505 (E_RNA) where: Base-Base interactions energy: -1293.030 where: short stacking energy: -538.837 Base-Backbone interact. energy: -2.609 local terms energy: -532.611964 where: bonds (distance) C4'-P energy: -80.460 bonds (distance) P-C4' energy: -102.135 flat angles C4'-P-C4' energy: -115.223 flat angles P-C4'-P energy: -72.549 tors. eta vs tors. theta energy: -162.244 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: 3 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -1651.755377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.755377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.755377 (E_RNA) where: Base-Base interactions energy: -1155.294 where: short stacking energy: -492.153 Base-Backbone interact. energy: 1.304 local terms energy: -497.765774 where: bonds (distance) C4'-P energy: -95.283 bonds (distance) P-C4' energy: -93.764 flat angles C4'-P-C4' energy: -99.196 flat angles P-C4'-P energy: -72.241 tors. eta vs tors. theta energy: -137.282 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: 5 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1669.305116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.305116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.305116 (E_RNA) where: Base-Base interactions energy: -1180.521 where: short stacking energy: -509.431 Base-Backbone interact. energy: -1.567 local terms energy: -487.217442 where: bonds (distance) C4'-P energy: -79.717 bonds (distance) P-C4' energy: -92.587 flat angles C4'-P-C4' energy: -98.323 flat angles P-C4'-P energy: -78.510 tors. eta vs tors. theta energy: -138.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -1426.394875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1426.394875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1426.394875 (E_RNA) where: Base-Base interactions energy: -995.490 where: short stacking energy: -427.977 Base-Backbone interact. energy: -3.215 local terms energy: -427.689961 where: bonds (distance) C4'-P energy: -91.647 bonds (distance) P-C4' energy: -85.637 flat angles C4'-P-C4' energy: -96.149 flat angles P-C4'-P energy: -58.463 tors. eta vs tors. theta energy: -95.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -1351.288878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1351.288878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1351.288878 (E_RNA) where: Base-Base interactions energy: -904.183 where: short stacking energy: -396.501 Base-Backbone interact. energy: -1.537 local terms energy: -445.568385 where: bonds (distance) C4'-P energy: -95.841 bonds (distance) P-C4' energy: -95.658 flat angles C4'-P-C4' energy: -96.393 flat angles P-C4'-P energy: -53.263 tors. eta vs tors. theta energy: -104.413 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: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -1344.375031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.375031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.375031 (E_RNA) where: Base-Base interactions energy: -911.793 where: short stacking energy: -398.389 Base-Backbone interact. energy: 0.594 local terms energy: -433.175985 where: bonds (distance) C4'-P energy: -70.373 bonds (distance) P-C4' energy: -90.233 flat angles C4'-P-C4' energy: -93.118 flat angles P-C4'-P energy: -68.912 tors. eta vs tors. theta energy: -110.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -1219.670561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.670561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.670561 (E_RNA) where: Base-Base interactions energy: -819.994 where: short stacking energy: -365.483 Base-Backbone interact. energy: -0.147 local terms energy: -399.529566 where: bonds (distance) C4'-P energy: -65.517 bonds (distance) P-C4' energy: -84.859 flat angles C4'-P-C4' energy: -87.080 flat angles P-C4'-P energy: -69.046 tors. eta vs tors. theta energy: -93.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -880.548390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.548390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.548390 (E_RNA) where: Base-Base interactions energy: -561.183 where: short stacking energy: -255.737 Base-Backbone interact. energy: -0.202 local terms energy: -319.163535 where: bonds (distance) C4'-P energy: -83.834 bonds (distance) P-C4' energy: -76.746 flat angles C4'-P-C4' energy: -81.922 flat angles P-C4'-P energy: -44.847 tors. eta vs tors. theta energy: -31.815 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: 365 Temperature: 1.350000 Total energy: -748.481846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.481846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.481846 (E_RNA) where: Base-Base interactions energy: -439.182 where: short stacking energy: -216.260 Base-Backbone interact. energy: 5.779 local terms energy: -315.078999 where: bonds (distance) C4'-P energy: -77.320 bonds (distance) P-C4' energy: -93.163 flat angles C4'-P-C4' energy: -61.731 flat angles P-C4'-P energy: -53.650 tors. eta vs tors. theta energy: -29.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1906.518409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1906.518409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1906.518409 (E_RNA) where: Base-Base interactions energy: -1353.176 where: short stacking energy: -566.600 Base-Backbone interact. energy: -0.399 local terms energy: -552.943483 where: bonds (distance) C4'-P energy: -107.392 bonds (distance) P-C4' energy: -105.156 flat angles C4'-P-C4' energy: -113.486 flat angles P-C4'-P energy: -67.695 tors. eta vs tors. theta energy: -159.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1756.881628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.881628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.881628 (E_RNA) where: Base-Base interactions energy: -1230.390 where: short stacking energy: -515.878 Base-Backbone interact. energy: -1.518 local terms energy: -524.973224 where: bonds (distance) C4'-P energy: -85.136 bonds (distance) P-C4' energy: -100.260 flat angles C4'-P-C4' energy: -119.853 flat angles P-C4'-P energy: -70.013 tors. eta vs tors. theta energy: -149.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1651.577944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.577944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.577944 (E_RNA) where: Base-Base interactions energy: -1146.445 where: short stacking energy: -485.826 Base-Backbone interact. energy: -0.930 local terms energy: -504.202026 where: bonds (distance) C4'-P energy: -91.167 bonds (distance) P-C4' energy: -92.227 flat angles C4'-P-C4' energy: -113.270 flat angles P-C4'-P energy: -77.824 tors. eta vs tors. theta energy: -129.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1657.844481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1657.844481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1657.844481 (E_RNA) where: Base-Base interactions energy: -1173.317 where: short stacking energy: -492.285 Base-Backbone interact. energy: -0.857 local terms energy: -483.670739 where: bonds (distance) C4'-P energy: -90.194 bonds (distance) P-C4' energy: -87.914 flat angles C4'-P-C4' energy: -100.547 flat angles P-C4'-P energy: -67.486 tors. eta vs tors. theta energy: -137.530 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: 7 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -1496.478485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.478485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.478485 (E_RNA) where: Base-Base interactions energy: -1064.604 where: short stacking energy: -430.924 Base-Backbone interact. energy: -2.427 local terms energy: -429.447768 where: bonds (distance) C4'-P energy: -91.610 bonds (distance) P-C4' energy: -86.393 flat angles C4'-P-C4' energy: -94.983 flat angles P-C4'-P energy: -49.000 tors. eta vs tors. theta energy: -107.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -1361.536638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.536638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.536638 (E_RNA) where: Base-Base interactions energy: -948.932 where: short stacking energy: -412.922 Base-Backbone interact. energy: 1.796 local terms energy: -414.400744 where: bonds (distance) C4'-P energy: -80.503 bonds (distance) P-C4' energy: -88.947 flat angles C4'-P-C4' energy: -86.149 flat angles P-C4'-P energy: -46.942 tors. eta vs tors. theta energy: -111.860 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: 4 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -1315.345704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.345704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.345704 (E_RNA) where: Base-Base interactions energy: -893.844 where: short stacking energy: -390.992 Base-Backbone interact. energy: -1.787 local terms energy: -419.715280 where: bonds (distance) C4'-P energy: -80.710 bonds (distance) P-C4' energy: -86.030 flat angles C4'-P-C4' energy: -86.338 flat angles P-C4'-P energy: -56.834 tors. eta vs tors. theta energy: -109.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -1210.270545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.270545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.270545 (E_RNA) where: Base-Base interactions energy: -837.794 where: short stacking energy: -378.797 Base-Backbone interact. energy: 0.938 local terms energy: -373.414650 where: bonds (distance) C4'-P energy: -67.258 bonds (distance) P-C4' energy: -63.072 flat angles C4'-P-C4' energy: -85.168 flat angles P-C4'-P energy: -65.980 tors. eta vs tors. theta energy: -91.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -816.912163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.912163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.912163 (E_RNA) where: Base-Base interactions energy: -484.443 where: short stacking energy: -239.800 Base-Backbone interact. energy: -0.977 local terms energy: -331.492212 where: bonds (distance) C4'-P energy: -91.907 bonds (distance) P-C4' energy: -86.570 flat angles C4'-P-C4' energy: -69.073 flat angles P-C4'-P energy: -57.028 tors. eta vs tors. theta energy: -26.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -666.379158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.379158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.379158 (E_RNA) where: Base-Base interactions energy: -371.137 where: short stacking energy: -181.354 Base-Backbone interact. energy: -0.700 local terms energy: -294.542132 where: bonds (distance) C4'-P energy: -74.747 bonds (distance) P-C4' energy: -81.846 flat angles C4'-P-C4' energy: -77.578 flat angles P-C4'-P energy: -44.619 tors. eta vs tors. theta energy: -15.752 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: 6 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1882.303999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.303999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.303999 (E_RNA) where: Base-Base interactions energy: -1328.028 where: short stacking energy: -548.515 Base-Backbone interact. energy: -1.336 local terms energy: -552.939101 where: bonds (distance) C4'-P energy: -89.128 bonds (distance) P-C4' energy: -100.482 flat angles C4'-P-C4' energy: -117.883 flat angles P-C4'-P energy: -82.235 tors. eta vs tors. theta energy: -163.211 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: 8 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1752.795341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.795341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.795341 (E_RNA) where: Base-Base interactions energy: -1217.111 where: short stacking energy: -502.609 Base-Backbone interact. energy: -1.122 local terms energy: -534.562405 where: bonds (distance) C4'-P energy: -104.040 bonds (distance) P-C4' energy: -100.210 flat angles C4'-P-C4' energy: -115.067 flat angles P-C4'-P energy: -77.028 tors. eta vs tors. theta energy: -138.218 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: 3 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1668.758578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1668.758578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1668.758578 (E_RNA) where: Base-Base interactions energy: -1168.194 where: short stacking energy: -509.940 Base-Backbone interact. energy: 2.102 local terms energy: -502.666191 where: bonds (distance) C4'-P energy: -100.554 bonds (distance) P-C4' energy: -85.253 flat angles C4'-P-C4' energy: -103.715 flat angles P-C4'-P energy: -76.666 tors. eta vs tors. theta energy: -136.479 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: 5 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1684.173019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1684.173019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1684.173019 (E_RNA) where: Base-Base interactions energy: -1178.945 where: short stacking energy: -499.744 Base-Backbone interact. energy: -2.519 local terms energy: -502.709655 where: bonds (distance) C4'-P energy: -84.777 bonds (distance) P-C4' energy: -91.192 flat angles C4'-P-C4' energy: -110.823 flat angles P-C4'-P energy: -73.653 tors. eta vs tors. theta energy: -142.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -1500.797725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.797725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.797725 (E_RNA) where: Base-Base interactions energy: -1060.544 where: short stacking energy: -435.196 Base-Backbone interact. energy: -1.142 local terms energy: -439.111279 where: bonds (distance) C4'-P energy: -87.019 bonds (distance) P-C4' energy: -99.233 flat angles C4'-P-C4' energy: -94.636 flat angles P-C4'-P energy: -49.046 tors. eta vs tors. theta energy: -109.177 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: 9 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -1372.897355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.897355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.897355 (E_RNA) where: Base-Base interactions energy: -934.448 where: short stacking energy: -423.988 Base-Backbone interact. energy: -1.711 local terms energy: -436.738105 where: bonds (distance) C4'-P energy: -78.713 bonds (distance) P-C4' energy: -80.678 flat angles C4'-P-C4' energy: -100.373 flat angles P-C4'-P energy: -63.045 tors. eta vs tors. theta energy: -113.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -1258.028098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.028098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.028098 (E_RNA) where: Base-Base interactions energy: -852.096 where: short stacking energy: -380.244 Base-Backbone interact. energy: 2.205 local terms energy: -408.137704 where: bonds (distance) C4'-P energy: -84.526 bonds (distance) P-C4' energy: -69.042 flat angles C4'-P-C4' energy: -90.983 flat angles P-C4'-P energy: -56.873 tors. eta vs tors. theta energy: -106.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -1201.425517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.425517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.425517 (E_RNA) where: Base-Base interactions energy: -804.620 where: short stacking energy: -361.448 Base-Backbone interact. energy: -1.800 local terms energy: -395.005045 where: bonds (distance) C4'-P energy: -71.048 bonds (distance) P-C4' energy: -84.774 flat angles C4'-P-C4' energy: -107.132 flat angles P-C4'-P energy: -53.700 tors. eta vs tors. theta energy: -78.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -833.683835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.683835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.683835 (E_RNA) where: Base-Base interactions energy: -525.600 where: short stacking energy: -225.547 Base-Backbone interact. energy: -2.220 local terms energy: -305.863985 where: bonds (distance) C4'-P energy: -78.098 bonds (distance) P-C4' energy: -93.584 flat angles C4'-P-C4' energy: -78.052 flat angles P-C4'-P energy: -45.639 tors. eta vs tors. theta energy: -10.491 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: 10, replica: 10 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -717.184492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.184492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.184492 (E_RNA) where: Base-Base interactions energy: -422.451 where: short stacking energy: -210.854 Base-Backbone interact. energy: 0.124 local terms energy: -294.857916 where: bonds (distance) C4'-P energy: -70.134 bonds (distance) P-C4' energy: -80.782 flat angles C4'-P-C4' energy: -83.652 flat angles P-C4'-P energy: -40.918 tors. eta vs tors. theta energy: -19.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1886.564648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.564648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.564648 (E_RNA) where: Base-Base interactions energy: -1347.573 where: short stacking energy: -558.742 Base-Backbone interact. energy: -0.258 local terms energy: -538.733546 where: bonds (distance) C4'-P energy: -101.126 bonds (distance) P-C4' energy: -95.717 flat angles C4'-P-C4' energy: -115.316 flat angles P-C4'-P energy: -69.428 tors. eta vs tors. theta energy: -157.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1772.536222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.536222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.536222 (E_RNA) where: Base-Base interactions energy: -1248.459 where: short stacking energy: -522.979 Base-Backbone interact. energy: -2.927 local terms energy: -521.150563 where: bonds (distance) C4'-P energy: -83.106 bonds (distance) P-C4' energy: -84.730 flat angles C4'-P-C4' energy: -112.407 flat angles P-C4'-P energy: -86.488 tors. eta vs tors. theta energy: -154.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1687.765862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.765862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.765862 (E_RNA) where: Base-Base interactions energy: -1174.994 where: short stacking energy: -496.398 Base-Backbone interact. energy: -0.873 local terms energy: -511.898348 where: bonds (distance) C4'-P energy: -93.425 bonds (distance) P-C4' energy: -104.254 flat angles C4'-P-C4' energy: -102.610 flat angles P-C4'-P energy: -74.098 tors. eta vs tors. theta energy: -137.511 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: 4, replica: 3 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -1581.509696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.509696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.509696 (E_RNA) where: Base-Base interactions energy: -1101.589 where: short stacking energy: -458.710 Base-Backbone interact. energy: -3.972 local terms energy: -475.948087 where: bonds (distance) C4'-P energy: -89.955 bonds (distance) P-C4' energy: -84.394 flat angles C4'-P-C4' energy: -100.398 flat angles P-C4'-P energy: -67.863 tors. eta vs tors. theta energy: -133.337 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: 5, replica: 7 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -1506.838340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.838340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.838340 (E_RNA) where: Base-Base interactions energy: -1039.132 where: short stacking energy: -441.516 Base-Backbone interact. energy: -2.986 local terms energy: -464.720355 where: bonds (distance) C4'-P energy: -72.020 bonds (distance) P-C4' energy: -91.552 flat angles C4'-P-C4' energy: -103.824 flat angles P-C4'-P energy: -71.836 tors. eta vs tors. theta energy: -125.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -1335.149227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.149227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.149227 (E_RNA) where: Base-Base interactions energy: -905.503 where: short stacking energy: -384.588 Base-Backbone interact. energy: -3.246 local terms energy: -426.399351 where: bonds (distance) C4'-P energy: -83.875 bonds (distance) P-C4' energy: -84.207 flat angles C4'-P-C4' energy: -99.213 flat angles P-C4'-P energy: -61.978 tors. eta vs tors. theta energy: -97.127 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: 7, replica: 1 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -1298.528901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1298.528901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1298.528901 (E_RNA) where: Base-Base interactions energy: -876.234 where: short stacking energy: -373.534 Base-Backbone interact. energy: -1.098 local terms energy: -421.196485 where: bonds (distance) C4'-P energy: -66.318 bonds (distance) P-C4' energy: -89.048 flat angles C4'-P-C4' energy: -98.760 flat angles P-C4'-P energy: -64.219 tors. eta vs tors. theta energy: -102.851 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: 4 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -1295.147266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.147266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.147266 (E_RNA) where: Base-Base interactions energy: -866.525 where: short stacking energy: -355.230 Base-Backbone interact. energy: 3.974 local terms energy: -432.595816 where: bonds (distance) C4'-P energy: -89.836 bonds (distance) P-C4' energy: -89.500 flat angles C4'-P-C4' energy: -97.193 flat angles P-C4'-P energy: -65.410 tors. eta vs tors. theta energy: -90.656 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: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -915.304913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.304913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.304913 (E_RNA) where: Base-Base interactions energy: -559.203 where: short stacking energy: -278.453 Base-Backbone interact. energy: -1.217 local terms energy: -354.884370 where: bonds (distance) C4'-P energy: -75.808 bonds (distance) P-C4' energy: -81.291 flat angles C4'-P-C4' energy: -86.287 flat angles P-C4'-P energy: -59.014 tors. eta vs tors. theta energy: -52.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -695.928523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.928523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.928523 (E_RNA) where: Base-Base interactions energy: -388.393 where: short stacking energy: -206.352 Base-Backbone interact. energy: 2.254 local terms energy: -309.789691 where: bonds (distance) C4'-P energy: -74.505 bonds (distance) P-C4' energy: -88.130 flat angles C4'-P-C4' energy: -84.165 flat angles P-C4'-P energy: -44.049 tors. eta vs tors. theta energy: -18.941 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: 6 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1896.726151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1896.726151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1896.726151 (E_RNA) where: Base-Base interactions energy: -1326.791 where: short stacking energy: -554.442 Base-Backbone interact. energy: 0.509 local terms energy: -570.443837 where: bonds (distance) C4'-P energy: -109.160 bonds (distance) P-C4' energy: -105.385 flat angles C4'-P-C4' energy: -117.740 flat angles P-C4'-P energy: -73.404 tors. eta vs tors. theta energy: -164.756 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: 8 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1783.922747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.922747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.922747 (E_RNA) where: Base-Base interactions energy: -1237.570 where: short stacking energy: -531.126 Base-Backbone interact. energy: -2.625 local terms energy: -543.727525 where: bonds (distance) C4'-P energy: -98.988 bonds (distance) P-C4' energy: -94.901 flat angles C4'-P-C4' energy: -106.926 flat angles P-C4'-P energy: -81.546 tors. eta vs tors. theta energy: -161.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1698.483002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.483002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.483002 (E_RNA) where: Base-Base interactions energy: -1208.953 where: short stacking energy: -519.839 Base-Backbone interact. energy: -2.298 local terms energy: -487.232155 where: bonds (distance) C4'-P energy: -89.903 bonds (distance) P-C4' energy: -91.046 flat angles C4'-P-C4' energy: -104.569 flat angles P-C4'-P energy: -63.537 tors. eta vs tors. theta energy: -138.178 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: 3 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1592.030718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.030718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.030718 (E_RNA) where: Base-Base interactions energy: -1146.366 where: short stacking energy: -451.183 Base-Backbone interact. energy: -2.811 local terms energy: -442.853784 where: bonds (distance) C4'-P energy: -77.381 bonds (distance) P-C4' energy: -93.893 flat angles C4'-P-C4' energy: -94.086 flat angles P-C4'-P energy: -57.416 tors. eta vs tors. theta energy: -120.077 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: 369 Temperature: 1.100000 Total energy: -1492.980775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.980775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.980775 (E_RNA) where: Base-Base interactions energy: -1017.747 where: short stacking energy: -430.465 Base-Backbone interact. energy: 5.915 local terms energy: -481.149071 where: bonds (distance) C4'-P energy: -94.584 bonds (distance) P-C4' energy: -89.062 flat angles C4'-P-C4' energy: -107.566 flat angles P-C4'-P energy: -69.847 tors. eta vs tors. theta energy: -120.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -1334.327970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.327970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.327970 (E_RNA) where: Base-Base interactions energy: -929.090 where: short stacking energy: -423.826 Base-Backbone interact. energy: 3.466 local terms energy: -408.703740 where: bonds (distance) C4'-P energy: -78.151 bonds (distance) P-C4' energy: -78.162 flat angles C4'-P-C4' energy: -101.171 flat angles P-C4'-P energy: -55.421 tors. eta vs tors. theta energy: -95.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -1303.327871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.327871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.327871 (E_RNA) where: Base-Base interactions energy: -890.126 where: short stacking energy: -395.473 Base-Backbone interact. energy: -0.352 local terms energy: -412.849944 where: bonds (distance) C4'-P energy: -56.020 bonds (distance) P-C4' energy: -91.759 flat angles C4'-P-C4' energy: -96.620 flat angles P-C4'-P energy: -58.098 tors. eta vs tors. theta energy: -110.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -1306.708843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.708843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.708843 (E_RNA) where: Base-Base interactions energy: -866.152 where: short stacking energy: -396.446 Base-Backbone interact. energy: -2.433 local terms energy: -438.123997 where: bonds (distance) C4'-P energy: -76.921 bonds (distance) P-C4' energy: -91.587 flat angles C4'-P-C4' energy: -92.001 flat angles P-C4'-P energy: -68.689 tors. eta vs tors. theta energy: -108.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -828.540710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.540710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.540710 (E_RNA) where: Base-Base interactions energy: -500.193 where: short stacking energy: -247.775 Base-Backbone interact. energy: -2.044 local terms energy: -326.303404 where: bonds (distance) C4'-P energy: -75.488 bonds (distance) P-C4' energy: -88.587 flat angles C4'-P-C4' energy: -81.434 flat angles P-C4'-P energy: -45.065 tors. eta vs tors. theta energy: -35.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -763.122595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.122595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.122595 (E_RNA) where: Base-Base interactions energy: -455.248 where: short stacking energy: -211.333 Base-Backbone interact. energy: -1.951 local terms energy: -305.923137 where: bonds (distance) C4'-P energy: -79.101 bonds (distance) P-C4' energy: -78.373 flat angles C4'-P-C4' energy: -73.453 flat angles P-C4'-P energy: -58.263 tors. eta vs tors. theta energy: -16.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1888.490537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.490537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.490537 (E_RNA) where: Base-Base interactions energy: -1329.225 where: short stacking energy: -565.677 Base-Backbone interact. energy: -2.698 local terms energy: -556.567435 where: bonds (distance) C4'-P energy: -99.225 bonds (distance) P-C4' energy: -101.915 flat angles C4'-P-C4' energy: -111.600 flat angles P-C4'-P energy: -81.327 tors. eta vs tors. theta energy: -162.500 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: 2, replica: 8 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1778.249404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.249404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.249404 (E_RNA) where: Base-Base interactions energy: -1224.730 where: short stacking energy: -508.484 Base-Backbone interact. energy: -0.941 local terms energy: -552.577414 where: bonds (distance) C4'-P energy: -104.103 bonds (distance) P-C4' energy: -98.137 flat angles C4'-P-C4' energy: -117.189 flat angles P-C4'-P energy: -83.148 tors. eta vs tors. theta energy: -150.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1731.351697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.351697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.351697 (E_RNA) where: Base-Base interactions energy: -1213.570 where: short stacking energy: -524.389 Base-Backbone interact. energy: -3.979 local terms energy: -513.802528 where: bonds (distance) C4'-P energy: -90.284 bonds (distance) P-C4' energy: -95.109 flat angles C4'-P-C4' energy: -114.827 flat angles P-C4'-P energy: -73.659 tors. eta vs tors. theta energy: -139.923 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: 3 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1619.981994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1619.981994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1619.981994 (E_RNA) where: Base-Base interactions energy: -1119.986 where: short stacking energy: -466.055 Base-Backbone interact. energy: 0.612 local terms energy: -500.608226 where: bonds (distance) C4'-P energy: -100.718 bonds (distance) P-C4' energy: -93.122 flat angles C4'-P-C4' energy: -107.903 flat angles P-C4'-P energy: -74.648 tors. eta vs tors. theta energy: -124.218 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: 370 Temperature: 1.100000 Total energy: -1530.329540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.329540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.329540 (E_RNA) where: Base-Base interactions energy: -1069.467 where: short stacking energy: -443.216 Base-Backbone interact. energy: -3.967 local terms energy: -456.895702 where: bonds (distance) C4'-P energy: -97.434 bonds (distance) P-C4' energy: -88.347 flat angles C4'-P-C4' energy: -101.154 flat angles P-C4'-P energy: -48.885 tors. eta vs tors. theta energy: -121.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -1359.437466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.437466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.437466 (E_RNA) where: Base-Base interactions energy: -940.990 where: short stacking energy: -406.923 Base-Backbone interact. energy: -4.501 local terms energy: -413.947131 where: bonds (distance) C4'-P energy: -87.677 bonds (distance) P-C4' energy: -87.264 flat angles C4'-P-C4' energy: -86.917 flat angles P-C4'-P energy: -49.865 tors. eta vs tors. theta energy: -102.225 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: 7, replica: 1 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -1272.937143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.937143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.937143 (E_RNA) where: Base-Base interactions energy: -858.433 where: short stacking energy: -381.123 Base-Backbone interact. energy: -1.536 local terms energy: -412.968614 where: bonds (distance) C4'-P energy: -79.380 bonds (distance) P-C4' energy: -89.183 flat angles C4'-P-C4' energy: -93.297 flat angles P-C4'-P energy: -54.342 tors. eta vs tors. theta energy: -96.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -1276.009999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.009999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.009999 (E_RNA) where: Base-Base interactions energy: -865.084 where: short stacking energy: -386.807 Base-Backbone interact. energy: -1.465 local terms energy: -409.461244 where: bonds (distance) C4'-P energy: -68.793 bonds (distance) P-C4' energy: -82.306 flat angles C4'-P-C4' energy: -87.199 flat angles P-C4'-P energy: -61.180 tors. eta vs tors. theta energy: -109.982 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: 9, replica: 2 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -853.013728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.013728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.013728 (E_RNA) where: Base-Base interactions energy: -521.483 where: short stacking energy: -231.655 Base-Backbone interact. energy: -1.871 local terms energy: -329.659850 where: bonds (distance) C4'-P energy: -94.376 bonds (distance) P-C4' energy: -91.626 flat angles C4'-P-C4' energy: -72.348 flat angles P-C4'-P energy: -43.859 tors. eta vs tors. theta energy: -27.451 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: 370 Temperature: 1.350000 Total energy: -725.771946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.771946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.771946 (E_RNA) where: Base-Base interactions energy: -418.332 where: short stacking energy: -184.896 Base-Backbone interact. energy: -0.169 local terms energy: -307.270886 where: bonds (distance) C4'-P energy: -84.365 bonds (distance) P-C4' energy: -74.969 flat angles C4'-P-C4' energy: -71.759 flat angles P-C4'-P energy: -54.908 tors. eta vs tors. theta energy: -21.270 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: 6 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1885.098389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1885.098389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1885.098389 (E_RNA) where: Base-Base interactions energy: -1325.103 where: short stacking energy: -568.746 Base-Backbone interact. energy: -2.613 local terms energy: -557.381947 where: bonds (distance) C4'-P energy: -99.678 bonds (distance) P-C4' energy: -104.684 flat angles C4'-P-C4' energy: -116.745 flat angles P-C4'-P energy: -79.849 tors. eta vs tors. theta energy: -156.426 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: 5 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1736.940644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.940644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.940644 (E_RNA) where: Base-Base interactions energy: -1227.057 where: short stacking energy: -536.459 Base-Backbone interact. energy: -0.540 local terms energy: -509.343571 where: bonds (distance) C4'-P energy: -99.661 bonds (distance) P-C4' energy: -90.918 flat angles C4'-P-C4' energy: -108.973 flat angles P-C4'-P energy: -68.948 tors. eta vs tors. theta energy: -140.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1752.329989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.329989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.329989 (E_RNA) where: Base-Base interactions energy: -1229.741 where: short stacking energy: -521.818 Base-Backbone interact. energy: -2.225 local terms energy: -520.364722 where: bonds (distance) C4'-P energy: -94.544 bonds (distance) P-C4' energy: -93.185 flat angles C4'-P-C4' energy: -107.568 flat angles P-C4'-P energy: -74.299 tors. eta vs tors. theta energy: -150.769 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: 371 Temperature: 1.050000 Total energy: -1603.140451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.140451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.140451 (E_RNA) where: Base-Base interactions energy: -1118.050 where: short stacking energy: -498.849 Base-Backbone interact. energy: -1.190 local terms energy: -483.900655 where: bonds (distance) C4'-P energy: -80.444 bonds (distance) P-C4' energy: -87.674 flat angles C4'-P-C4' energy: -101.391 flat angles P-C4'-P energy: -76.424 tors. eta vs tors. theta energy: -137.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -1509.904617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.904617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.904617 (E_RNA) where: Base-Base interactions energy: -1040.133 where: short stacking energy: -445.153 Base-Backbone interact. energy: 2.362 local terms energy: -472.134123 where: bonds (distance) C4'-P energy: -89.555 bonds (distance) P-C4' energy: -81.951 flat angles C4'-P-C4' energy: -105.125 flat angles P-C4'-P energy: -75.628 tors. eta vs tors. theta energy: -119.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -1356.223361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1356.223361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1356.223361 (E_RNA) where: Base-Base interactions energy: -944.613 where: short stacking energy: -405.643 Base-Backbone interact. energy: -1.980 local terms energy: -409.630699 where: bonds (distance) C4'-P energy: -70.607 bonds (distance) P-C4' energy: -84.389 flat angles C4'-P-C4' energy: -92.955 flat angles P-C4'-P energy: -73.662 tors. eta vs tors. theta energy: -88.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -1231.218831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1231.218831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1231.218831 (E_RNA) where: Base-Base interactions energy: -871.111 where: short stacking energy: -366.049 Base-Backbone interact. energy: -2.664 local terms energy: -357.444162 where: bonds (distance) C4'-P energy: -77.448 bonds (distance) P-C4' energy: -73.564 flat angles C4'-P-C4' energy: -79.716 flat angles P-C4'-P energy: -44.035 tors. eta vs tors. theta energy: -82.681 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: 4 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -1284.747946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.747946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.747946 (E_RNA) where: Base-Base interactions energy: -850.748 where: short stacking energy: -376.566 Base-Backbone interact. energy: -1.022 local terms energy: -432.977416 where: bonds (distance) C4'-P energy: -88.181 bonds (distance) P-C4' energy: -88.276 flat angles C4'-P-C4' energy: -92.571 flat angles P-C4'-P energy: -63.306 tors. eta vs tors. theta energy: -100.642 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: 2 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -843.218829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.218829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.218829 (E_RNA) where: Base-Base interactions energy: -515.248 where: short stacking energy: -233.740 Base-Backbone interact. energy: -3.257 local terms energy: -324.713285 where: bonds (distance) C4'-P energy: -64.838 bonds (distance) P-C4' energy: -92.965 flat angles C4'-P-C4' energy: -88.896 flat angles P-C4'-P energy: -52.850 tors. eta vs tors. theta energy: -25.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -761.096302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.096302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.096302 (E_RNA) where: Base-Base interactions energy: -465.992 where: short stacking energy: -220.510 Base-Backbone interact. energy: 4.223 local terms energy: -299.327359 where: bonds (distance) C4'-P energy: -80.333 bonds (distance) P-C4' energy: -81.166 flat angles C4'-P-C4' energy: -67.430 flat angles P-C4'-P energy: -41.945 tors. eta vs tors. theta energy: -28.454 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: 6 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1878.528014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.528014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.528014 (E_RNA) where: Base-Base interactions energy: -1323.329 where: short stacking energy: -566.676 Base-Backbone interact. energy: -1.925 local terms energy: -553.273690 where: bonds (distance) C4'-P energy: -92.961 bonds (distance) P-C4' energy: -114.420 flat angles C4'-P-C4' energy: -112.433 flat angles P-C4'-P energy: -75.999 tors. eta vs tors. theta energy: -157.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1706.283415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1706.283415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1706.283415 (E_RNA) where: Base-Base interactions energy: -1194.030 where: short stacking energy: -514.150 Base-Backbone interact. energy: -1.589 local terms energy: -510.664876 where: bonds (distance) C4'-P energy: -94.599 bonds (distance) P-C4' energy: -86.052 flat angles C4'-P-C4' energy: -108.727 flat angles P-C4'-P energy: -82.488 tors. eta vs tors. theta energy: -138.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1733.190032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.190032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.190032 (E_RNA) where: Base-Base interactions energy: -1210.820 where: short stacking energy: -509.334 Base-Backbone interact. energy: -1.122 local terms energy: -521.247994 where: bonds (distance) C4'-P energy: -96.049 bonds (distance) P-C4' energy: -94.166 flat angles C4'-P-C4' energy: -104.090 flat angles P-C4'-P energy: -74.709 tors. eta vs tors. theta energy: -152.234 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: 3 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1614.160657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.160657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.160657 (E_RNA) where: Base-Base interactions energy: -1122.276 where: short stacking energy: -462.725 Base-Backbone interact. energy: -2.113 local terms energy: -489.771568 where: bonds (distance) C4'-P energy: -102.890 bonds (distance) P-C4' energy: -100.865 flat angles C4'-P-C4' energy: -95.568 flat angles P-C4'-P energy: -70.392 tors. eta vs tors. theta energy: -120.057 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: 7 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -1497.399364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.399364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.399364 (E_RNA) where: Base-Base interactions energy: -1053.000 where: short stacking energy: -430.487 Base-Backbone interact. energy: -0.573 local terms energy: -443.826650 where: bonds (distance) C4'-P energy: -81.308 bonds (distance) P-C4' energy: -88.906 flat angles C4'-P-C4' energy: -91.924 flat angles P-C4'-P energy: -66.893 tors. eta vs tors. theta energy: -114.797 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: 9 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -1369.944525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.944525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.944525 (E_RNA) where: Base-Base interactions energy: -934.750 where: short stacking energy: -403.719 Base-Backbone interact. energy: 0.034 local terms energy: -435.228186 where: bonds (distance) C4'-P energy: -79.865 bonds (distance) P-C4' energy: -96.184 flat angles C4'-P-C4' energy: -88.815 flat angles P-C4'-P energy: -80.056 tors. eta vs tors. theta energy: -90.308 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: 1 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -1279.571544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.571544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.571544 (E_RNA) where: Base-Base interactions energy: -839.914 where: short stacking energy: -378.056 Base-Backbone interact. energy: -2.601 local terms energy: -437.056858 where: bonds (distance) C4'-P energy: -88.773 bonds (distance) P-C4' energy: -91.768 flat angles C4'-P-C4' energy: -100.113 flat angles P-C4'-P energy: -52.575 tors. eta vs tors. theta energy: -103.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -1302.627399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.627399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.627399 (E_RNA) where: Base-Base interactions energy: -851.935 where: short stacking energy: -383.299 Base-Backbone interact. energy: -3.234 local terms energy: -447.458384 where: bonds (distance) C4'-P energy: -91.273 bonds (distance) P-C4' energy: -76.099 flat angles C4'-P-C4' energy: -94.654 flat angles P-C4'-P energy: -66.808 tors. eta vs tors. theta energy: -118.623 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: 2 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -827.501446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.501446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.501446 (E_RNA) where: Base-Base interactions energy: -512.782 where: short stacking energy: -256.719 Base-Backbone interact. energy: 4.752 local terms energy: -319.471644 where: bonds (distance) C4'-P energy: -72.227 bonds (distance) P-C4' energy: -88.637 flat angles C4'-P-C4' energy: -75.283 flat angles P-C4'-P energy: -39.985 tors. eta vs tors. theta energy: -43.339 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: 10 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -719.382399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.382399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.382399 (E_RNA) where: Base-Base interactions energy: -424.083 where: short stacking energy: -206.477 Base-Backbone interact. energy: 6.166 local terms energy: -301.465624 where: bonds (distance) C4'-P energy: -79.307 bonds (distance) P-C4' energy: -85.855 flat angles C4'-P-C4' energy: -79.998 flat angles P-C4'-P energy: -38.629 tors. eta vs tors. theta energy: -17.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1887.141566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.141566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.141566 (E_RNA) where: Base-Base interactions energy: -1307.224 where: short stacking energy: -573.069 Base-Backbone interact. energy: 0.891 local terms energy: -580.809234 where: bonds (distance) C4'-P energy: -103.894 bonds (distance) P-C4' energy: -110.995 flat angles C4'-P-C4' energy: -120.748 flat angles P-C4'-P energy: -82.008 tors. eta vs tors. theta energy: -163.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1780.365189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.365189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.365189 (E_RNA) where: Base-Base interactions energy: -1269.862 where: short stacking energy: -527.329 Base-Backbone interact. energy: 2.715 local terms energy: -513.217309 where: bonds (distance) C4'-P energy: -87.115 bonds (distance) P-C4' energy: -85.063 flat angles C4'-P-C4' energy: -110.088 flat angles P-C4'-P energy: -76.563 tors. eta vs tors. theta energy: -154.388 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: 5 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1704.331695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1704.331695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1704.331695 (E_RNA) where: Base-Base interactions energy: -1196.207 where: short stacking energy: -526.685 Base-Backbone interact. energy: -3.143 local terms energy: -504.982000 where: bonds (distance) C4'-P energy: -80.779 bonds (distance) P-C4' energy: -90.902 flat angles C4'-P-C4' energy: -114.005 flat angles P-C4'-P energy: -70.978 tors. eta vs tors. theta energy: -148.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1634.311570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.311570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.311570 (E_RNA) where: Base-Base interactions energy: -1141.234 where: short stacking energy: -491.137 Base-Backbone interact. energy: -3.509 local terms energy: -489.568448 where: bonds (distance) C4'-P energy: -83.702 bonds (distance) P-C4' energy: -89.092 flat angles C4'-P-C4' energy: -116.854 flat angles P-C4'-P energy: -74.808 tors. eta vs tors. theta energy: -125.112 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: 373 Temperature: 1.100000 Total energy: -1499.872480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1499.872480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1499.872480 (E_RNA) where: Base-Base interactions energy: -1050.657 where: short stacking energy: -433.544 Base-Backbone interact. energy: -4.381 local terms energy: -444.834975 where: bonds (distance) C4'-P energy: -81.689 bonds (distance) P-C4' energy: -80.026 flat angles C4'-P-C4' energy: -99.443 flat angles P-C4'-P energy: -72.456 tors. eta vs tors. theta energy: -111.222 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: 6, replica: 9 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -1380.096432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.096432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.096432 (E_RNA) where: Base-Base interactions energy: -936.845 where: short stacking energy: -410.133 Base-Backbone interact. energy: -2.575 local terms energy: -440.676231 where: bonds (distance) C4'-P energy: -89.679 bonds (distance) P-C4' energy: -87.514 flat angles C4'-P-C4' energy: -93.811 flat angles P-C4'-P energy: -63.431 tors. eta vs tors. theta energy: -106.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -1274.817093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1274.817093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1274.817093 (E_RNA) where: Base-Base interactions energy: -831.324 where: short stacking energy: -371.013 Base-Backbone interact. energy: 0.222 local terms energy: -443.714771 where: bonds (distance) C4'-P energy: -95.811 bonds (distance) P-C4' energy: -88.504 flat angles C4'-P-C4' energy: -100.964 flat angles P-C4'-P energy: -61.025 tors. eta vs tors. theta energy: -97.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -1318.597889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.597889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.597889 (E_RNA) where: Base-Base interactions energy: -878.928 where: short stacking energy: -401.998 Base-Backbone interact. energy: -0.976 local terms energy: -438.694100 where: bonds (distance) C4'-P energy: -87.552 bonds (distance) P-C4' energy: -84.380 flat angles C4'-P-C4' energy: -99.854 flat angles P-C4'-P energy: -58.649 tors. eta vs tors. theta energy: -108.259 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: 9, replica: 2 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -830.335148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.335148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.335148 (E_RNA) where: Base-Base interactions energy: -505.334 where: short stacking energy: -238.471 Base-Backbone interact. energy: 0.059 local terms energy: -325.060488 where: bonds (distance) C4'-P energy: -82.835 bonds (distance) P-C4' energy: -79.920 flat angles C4'-P-C4' energy: -87.496 flat angles P-C4'-P energy: -40.982 tors. eta vs tors. theta energy: -33.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -726.793202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.793202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.793202 (E_RNA) where: Base-Base interactions energy: -422.296 where: short stacking energy: -196.378 Base-Backbone interact. energy: 1.859 local terms energy: -306.356377 where: bonds (distance) C4'-P energy: -59.302 bonds (distance) P-C4' energy: -85.396 flat angles C4'-P-C4' energy: -77.386 flat angles P-C4'-P energy: -52.312 tors. eta vs tors. theta energy: -31.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1892.641601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.641601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.641601 (E_RNA) where: Base-Base interactions energy: -1338.589 where: short stacking energy: -570.437 Base-Backbone interact. energy: -1.123 local terms energy: -552.929525 where: bonds (distance) C4'-P energy: -97.957 bonds (distance) P-C4' energy: -106.986 flat angles C4'-P-C4' energy: -116.822 flat angles P-C4'-P energy: -71.583 tors. eta vs tors. theta energy: -159.582 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: 8 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1768.294363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.294363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.294363 (E_RNA) where: Base-Base interactions energy: -1243.567 where: short stacking energy: -519.249 Base-Backbone interact. energy: 2.507 local terms energy: -527.233983 where: bonds (distance) C4'-P energy: -96.696 bonds (distance) P-C4' energy: -97.997 flat angles C4'-P-C4' energy: -106.170 flat angles P-C4'-P energy: -81.154 tors. eta vs tors. theta energy: -145.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1710.218872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.218872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.218872 (E_RNA) where: Base-Base interactions energy: -1191.920 where: short stacking energy: -515.363 Base-Backbone interact. energy: -2.057 local terms energy: -516.241448 where: bonds (distance) C4'-P energy: -96.243 bonds (distance) P-C4' energy: -95.925 flat angles C4'-P-C4' energy: -111.421 flat angles P-C4'-P energy: -74.439 tors. eta vs tors. theta energy: -138.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1591.275545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.275545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.275545 (E_RNA) where: Base-Base interactions energy: -1112.625 where: short stacking energy: -475.710 Base-Backbone interact. energy: -2.635 local terms energy: -476.014993 where: bonds (distance) C4'-P energy: -86.633 bonds (distance) P-C4' energy: -94.405 flat angles C4'-P-C4' energy: -107.417 flat angles P-C4'-P energy: -65.197 tors. eta vs tors. theta energy: -122.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -1515.249761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1515.249761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1515.249761 (E_RNA) where: Base-Base interactions energy: -1045.676 where: short stacking energy: -445.103 Base-Backbone interact. energy: -2.265 local terms energy: -467.308319 where: bonds (distance) C4'-P energy: -91.356 bonds (distance) P-C4' energy: -96.712 flat angles C4'-P-C4' energy: -92.874 flat angles P-C4'-P energy: -67.464 tors. eta vs tors. theta energy: -118.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -1365.140339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.140339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.140339 (E_RNA) where: Base-Base interactions energy: -931.124 where: short stacking energy: -417.433 Base-Backbone interact. energy: -1.226 local terms energy: -432.790886 where: bonds (distance) C4'-P energy: -85.387 bonds (distance) P-C4' energy: -77.757 flat angles C4'-P-C4' energy: -91.932 flat angles P-C4'-P energy: -67.977 tors. eta vs tors. theta energy: -109.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -1330.137236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.137236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.137236 (E_RNA) where: Base-Base interactions energy: -926.339 where: short stacking energy: -403.930 Base-Backbone interact. energy: 4.789 local terms energy: -408.587854 where: bonds (distance) C4'-P energy: -72.262 bonds (distance) P-C4' energy: -83.228 flat angles C4'-P-C4' energy: -93.973 flat angles P-C4'-P energy: -62.893 tors. eta vs tors. theta energy: -96.233 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: 1 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -1200.358179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.358179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.358179 (E_RNA) where: Base-Base interactions energy: -823.946 where: short stacking energy: -336.713 Base-Backbone interact. energy: 1.164 local terms energy: -377.575587 where: bonds (distance) C4'-P energy: -77.288 bonds (distance) P-C4' energy: -88.952 flat angles C4'-P-C4' energy: -87.309 flat angles P-C4'-P energy: -49.465 tors. eta vs tors. theta energy: -74.562 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: 10 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -838.481455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.481455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.481455 (E_RNA) where: Base-Base interactions energy: -507.620 where: short stacking energy: -219.541 Base-Backbone interact. energy: -0.972 local terms energy: -329.889070 where: bonds (distance) C4'-P energy: -88.278 bonds (distance) P-C4' energy: -85.427 flat angles C4'-P-C4' energy: -83.231 flat angles P-C4'-P energy: -38.122 tors. eta vs tors. theta energy: -34.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -832.096753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.096753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.096753 (E_RNA) where: Base-Base interactions energy: -506.426 where: short stacking energy: -237.741 Base-Backbone interact. energy: 2.281 local terms energy: -327.951814 where: bonds (distance) C4'-P energy: -93.893 bonds (distance) P-C4' energy: -90.200 flat angles C4'-P-C4' energy: -74.159 flat angles P-C4'-P energy: -50.077 tors. eta vs tors. theta energy: -19.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1894.757595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1894.757595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1894.757595 (E_RNA) where: Base-Base interactions energy: -1349.443 where: short stacking energy: -575.682 Base-Backbone interact. energy: -1.023 local terms energy: -544.291971 where: bonds (distance) C4'-P energy: -92.293 bonds (distance) P-C4' energy: -102.943 flat angles C4'-P-C4' energy: -111.511 flat angles P-C4'-P energy: -76.422 tors. eta vs tors. theta energy: -161.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1792.589511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.589511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.589511 (E_RNA) where: Base-Base interactions energy: -1227.659 where: short stacking energy: -534.794 Base-Backbone interact. energy: -1.628 local terms energy: -563.302753 where: bonds (distance) C4'-P energy: -106.732 bonds (distance) P-C4' energy: -107.570 flat angles C4'-P-C4' energy: -109.586 flat angles P-C4'-P energy: -74.274 tors. eta vs tors. theta energy: -165.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1694.111709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.111709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.111709 (E_RNA) where: Base-Base interactions energy: -1181.023 where: short stacking energy: -509.078 Base-Backbone interact. energy: -1.936 local terms energy: -511.152342 where: bonds (distance) C4'-P energy: -95.173 bonds (distance) P-C4' energy: -82.460 flat angles C4'-P-C4' energy: -112.739 flat angles P-C4'-P energy: -68.938 tors. eta vs tors. theta energy: -151.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1603.626199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1603.626199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1603.626199 (E_RNA) where: Base-Base interactions energy: -1124.904 where: short stacking energy: -495.577 Base-Backbone interact. energy: -3.182 local terms energy: -475.540419 where: bonds (distance) C4'-P energy: -82.540 bonds (distance) P-C4' energy: -88.156 flat angles C4'-P-C4' energy: -92.725 flat angles P-C4'-P energy: -70.147 tors. eta vs tors. theta energy: -141.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -1490.506127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.506127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.506127 (E_RNA) where: Base-Base interactions energy: -1047.487 where: short stacking energy: -419.978 Base-Backbone interact. energy: -0.182 local terms energy: -442.837861 where: bonds (distance) C4'-P energy: -90.399 bonds (distance) P-C4' energy: -87.398 flat angles C4'-P-C4' energy: -87.580 flat angles P-C4'-P energy: -65.227 tors. eta vs tors. theta energy: -112.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -1370.767497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.767497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.767497 (E_RNA) where: Base-Base interactions energy: -937.676 where: short stacking energy: -412.772 Base-Backbone interact. energy: -1.915 local terms energy: -431.176661 where: bonds (distance) C4'-P energy: -79.138 bonds (distance) P-C4' energy: -87.877 flat angles C4'-P-C4' energy: -91.166 flat angles P-C4'-P energy: -61.198 tors. eta vs tors. theta energy: -111.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -1358.658444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1358.658444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1358.658444 (E_RNA) where: Base-Base interactions energy: -926.189 where: short stacking energy: -412.563 Base-Backbone interact. energy: -0.776 local terms energy: -431.693395 where: bonds (distance) C4'-P energy: -72.606 bonds (distance) P-C4' energy: -89.950 flat angles C4'-P-C4' energy: -92.900 flat angles P-C4'-P energy: -65.629 tors. eta vs tors. theta energy: -110.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -1186.142484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.142484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.142484 (E_RNA) where: Base-Base interactions energy: -833.624 where: short stacking energy: -372.061 Base-Backbone interact. energy: -0.998 local terms energy: -351.520767 where: bonds (distance) C4'-P energy: -59.168 bonds (distance) P-C4' energy: -82.687 flat angles C4'-P-C4' energy: -77.147 flat angles P-C4'-P energy: -45.306 tors. eta vs tors. theta energy: -87.213 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: 10 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -832.987002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.987002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.987002 (E_RNA) where: Base-Base interactions energy: -509.778 where: short stacking energy: -246.162 Base-Backbone interact. energy: -2.042 local terms energy: -321.166871 where: bonds (distance) C4'-P energy: -77.008 bonds (distance) P-C4' energy: -79.009 flat angles C4'-P-C4' energy: -73.620 flat angles P-C4'-P energy: -56.005 tors. eta vs tors. theta energy: -35.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -867.206673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.206673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.206673 (E_RNA) where: Base-Base interactions energy: -536.382 where: short stacking energy: -261.987 Base-Backbone interact. energy: -2.444 local terms energy: -328.380717 where: bonds (distance) C4'-P energy: -72.929 bonds (distance) P-C4' energy: -65.611 flat angles C4'-P-C4' energy: -100.609 flat angles P-C4'-P energy: -40.603 tors. eta vs tors. theta energy: -48.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1886.332403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.332403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.332403 (E_RNA) where: Base-Base interactions energy: -1327.868 where: short stacking energy: -570.714 Base-Backbone interact. energy: -0.248 local terms energy: -558.216664 where: bonds (distance) C4'-P energy: -97.312 bonds (distance) P-C4' energy: -89.015 flat angles C4'-P-C4' energy: -118.710 flat angles P-C4'-P energy: -95.399 tors. eta vs tors. theta energy: -157.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1784.716132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.716132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.716132 (E_RNA) where: Base-Base interactions energy: -1237.988 where: short stacking energy: -529.605 Base-Backbone interact. energy: -1.697 local terms energy: -545.030715 where: bonds (distance) C4'-P energy: -98.883 bonds (distance) P-C4' energy: -108.926 flat angles C4'-P-C4' energy: -107.050 flat angles P-C4'-P energy: -81.151 tors. eta vs tors. theta energy: -149.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1726.645201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1726.645201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1726.645201 (E_RNA) where: Base-Base interactions energy: -1208.892 where: short stacking energy: -522.855 Base-Backbone interact. energy: -1.859 local terms energy: -515.893719 where: bonds (distance) C4'-P energy: -89.752 bonds (distance) P-C4' energy: -91.648 flat angles C4'-P-C4' energy: -115.715 flat angles P-C4'-P energy: -74.935 tors. eta vs tors. theta energy: -143.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1623.306075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.306075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.306075 (E_RNA) where: Base-Base interactions energy: -1133.610 where: short stacking energy: -475.346 Base-Backbone interact. energy: -6.824 local terms energy: -482.871863 where: bonds (distance) C4'-P energy: -84.101 bonds (distance) P-C4' energy: -86.419 flat angles C4'-P-C4' energy: -106.224 flat angles P-C4'-P energy: -67.125 tors. eta vs tors. theta energy: -139.004 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: 376 Temperature: 1.100000 Total energy: -1523.102782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.102782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.102782 (E_RNA) where: Base-Base interactions energy: -1069.727 where: short stacking energy: -438.811 Base-Backbone interact. energy: -0.010 local terms energy: -453.366597 where: bonds (distance) C4'-P energy: -88.551 bonds (distance) P-C4' energy: -96.492 flat angles C4'-P-C4' energy: -101.816 flat angles P-C4'-P energy: -64.764 tors. eta vs tors. theta energy: -101.742 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: 9 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -1329.670042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1329.670042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1329.670042 (E_RNA) where: Base-Base interactions energy: -908.584 where: short stacking energy: -405.383 Base-Backbone interact. energy: -1.232 local terms energy: -419.854615 where: bonds (distance) C4'-P energy: -73.835 bonds (distance) P-C4' energy: -86.832 flat angles C4'-P-C4' energy: -84.450 flat angles P-C4'-P energy: -71.226 tors. eta vs tors. theta energy: -103.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -1318.101249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1318.101249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1318.101249 (E_RNA) where: Base-Base interactions energy: -916.280 where: short stacking energy: -413.105 Base-Backbone interact. energy: -1.114 local terms energy: -400.707697 where: bonds (distance) C4'-P energy: -81.810 bonds (distance) P-C4' energy: -74.044 flat angles C4'-P-C4' energy: -80.662 flat angles P-C4'-P energy: -50.392 tors. eta vs tors. theta energy: -113.800 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: 1 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -1172.844253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.844253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.844253 (E_RNA) where: Base-Base interactions energy: -788.282 where: short stacking energy: -358.394 Base-Backbone interact. energy: -2.969 local terms energy: -381.592932 where: bonds (distance) C4'-P energy: -82.306 bonds (distance) P-C4' energy: -77.049 flat angles C4'-P-C4' energy: -90.249 flat angles P-C4'-P energy: -56.748 tors. eta vs tors. theta energy: -75.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -831.174845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.174845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.174845 (E_RNA) where: Base-Base interactions energy: -483.257 where: short stacking energy: -258.471 Base-Backbone interact. energy: -0.475 local terms energy: -347.442577 where: bonds (distance) C4'-P energy: -69.441 bonds (distance) P-C4' energy: -96.359 flat angles C4'-P-C4' energy: -78.004 flat angles P-C4'-P energy: -60.021 tors. eta vs tors. theta energy: -43.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -804.686381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.686381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.686381 (E_RNA) where: Base-Base interactions energy: -489.180 where: short stacking energy: -219.493 Base-Backbone interact. energy: -0.224 local terms energy: -315.282047 where: bonds (distance) C4'-P energy: -79.952 bonds (distance) P-C4' energy: -81.713 flat angles C4'-P-C4' energy: -65.255 flat angles P-C4'-P energy: -55.131 tors. eta vs tors. theta energy: -33.231 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: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1865.997298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.997298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.997298 (E_RNA) where: Base-Base interactions energy: -1321.451 where: short stacking energy: -563.268 Base-Backbone interact. energy: -4.784 local terms energy: -539.762413 where: bonds (distance) C4'-P energy: -88.057 bonds (distance) P-C4' energy: -87.009 flat angles C4'-P-C4' energy: -124.821 flat angles P-C4'-P energy: -78.881 tors. eta vs tors. theta energy: -160.994 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: 377 Temperature: 0.950000 Total energy: -1765.727622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.727622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.727622 (E_RNA) where: Base-Base interactions energy: -1234.892 where: short stacking energy: -525.096 Base-Backbone interact. energy: -3.818 local terms energy: -527.017576 where: bonds (distance) C4'-P energy: -104.311 bonds (distance) P-C4' energy: -105.075 flat angles C4'-P-C4' energy: -105.128 flat angles P-C4'-P energy: -73.270 tors. eta vs tors. theta energy: -139.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -1739.522765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.522765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.522765 (E_RNA) where: Base-Base interactions energy: -1224.881 where: short stacking energy: -518.818 Base-Backbone interact. energy: -2.011 local terms energy: -512.630757 where: bonds (distance) C4'-P energy: -94.361 bonds (distance) P-C4' energy: -92.172 flat angles C4'-P-C4' energy: -101.175 flat angles P-C4'-P energy: -72.653 tors. eta vs tors. theta energy: -152.270 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: 377 Temperature: 1.050000 Total energy: -1639.744668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.744668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.744668 (E_RNA) where: Base-Base interactions energy: -1134.952 where: short stacking energy: -487.484 Base-Backbone interact. energy: -0.859 local terms energy: -503.933701 where: bonds (distance) C4'-P energy: -87.401 bonds (distance) P-C4' energy: -95.561 flat angles C4'-P-C4' energy: -108.403 flat angles P-C4'-P energy: -73.916 tors. eta vs tors. theta energy: -138.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -1485.462237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1485.462237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1485.462237 (E_RNA) where: Base-Base interactions energy: -1044.448 where: short stacking energy: -424.445 Base-Backbone interact. energy: -2.804 local terms energy: -438.209470 where: bonds (distance) C4'-P energy: -89.964 bonds (distance) P-C4' energy: -78.456 flat angles C4'-P-C4' energy: -89.788 flat angles P-C4'-P energy: -61.538 tors. eta vs tors. theta energy: -118.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -1346.506067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1346.506067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1346.506067 (E_RNA) where: Base-Base interactions energy: -898.155 where: short stacking energy: -406.479 Base-Backbone interact. energy: -3.289 local terms energy: -445.061444 where: bonds (distance) C4'-P energy: -78.041 bonds (distance) P-C4' energy: -84.619 flat angles C4'-P-C4' energy: -92.225 flat angles P-C4'-P energy: -80.791 tors. eta vs tors. theta energy: -109.384 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: 4 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -1275.775435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.775435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.775435 (E_RNA) where: Base-Base interactions energy: -844.266 where: short stacking energy: -387.536 Base-Backbone interact. energy: -4.069 local terms energy: -427.440494 where: bonds (distance) C4'-P energy: -82.997 bonds (distance) P-C4' energy: -95.219 flat angles C4'-P-C4' energy: -81.535 flat angles P-C4'-P energy: -59.508 tors. eta vs tors. theta energy: -108.182 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: 377 Temperature: 1.250000 Total energy: -1226.134306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.134306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.134306 (E_RNA) where: Base-Base interactions energy: -837.754 where: short stacking energy: -362.974 Base-Backbone interact. energy: -0.500 local terms energy: -387.879603 where: bonds (distance) C4'-P energy: -87.212 bonds (distance) P-C4' energy: -77.213 flat angles C4'-P-C4' energy: -77.671 flat angles P-C4'-P energy: -57.474 tors. eta vs tors. theta energy: -88.309 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: 10 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -769.420405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.420405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.420405 (E_RNA) where: Base-Base interactions energy: -451.504 where: short stacking energy: -206.517 Base-Backbone interact. energy: -2.352 local terms energy: -315.564081 where: bonds (distance) C4'-P energy: -83.312 bonds (distance) P-C4' energy: -73.705 flat angles C4'-P-C4' energy: -80.818 flat angles P-C4'-P energy: -52.023 tors. eta vs tors. theta energy: -25.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -838.365206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.365206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.365206 (E_RNA) where: Base-Base interactions energy: -524.240 where: short stacking energy: -231.303 Base-Backbone interact. energy: 0.575 local terms energy: -314.700265 where: bonds (distance) C4'-P energy: -68.821 bonds (distance) P-C4' energy: -89.242 flat angles C4'-P-C4' energy: -76.047 flat angles P-C4'-P energy: -50.821 tors. eta vs tors. theta energy: -29.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1869.035753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.035753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.035753 (E_RNA) where: Base-Base interactions energy: -1324.460 where: short stacking energy: -551.649 Base-Backbone interact. energy: -0.655 local terms energy: -543.920446 where: bonds (distance) C4'-P energy: -95.531 bonds (distance) P-C4' energy: -111.337 flat angles C4'-P-C4' energy: -114.308 flat angles P-C4'-P energy: -74.268 tors. eta vs tors. theta energy: -148.476 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: 5 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1731.041898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.041898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.041898 (E_RNA) where: Base-Base interactions energy: -1192.738 where: short stacking energy: -513.399 Base-Backbone interact. energy: -1.217 local terms energy: -537.086376 where: bonds (distance) C4'-P energy: -109.997 bonds (distance) P-C4' energy: -97.024 flat angles C4'-P-C4' energy: -112.223 flat angles P-C4'-P energy: -75.400 tors. eta vs tors. theta energy: -142.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1752.431182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.431182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.431182 (E_RNA) where: Base-Base interactions energy: -1232.919 where: short stacking energy: -520.287 Base-Backbone interact. energy: -1.538 local terms energy: -517.974294 where: bonds (distance) C4'-P energy: -90.642 bonds (distance) P-C4' energy: -97.400 flat angles C4'-P-C4' energy: -104.399 flat angles P-C4'-P energy: -72.408 tors. eta vs tors. theta energy: -153.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1596.584499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1596.584499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1596.584499 (E_RNA) where: Base-Base interactions energy: -1126.358 where: short stacking energy: -483.698 Base-Backbone interact. energy: -2.023 local terms energy: -468.203610 where: bonds (distance) C4'-P energy: -86.564 bonds (distance) P-C4' energy: -87.651 flat angles C4'-P-C4' energy: -102.105 flat angles P-C4'-P energy: -67.671 tors. eta vs tors. theta energy: -124.213 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: 7 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -1432.217696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.217696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.217696 (E_RNA) where: Base-Base interactions energy: -995.592 where: short stacking energy: -415.358 Base-Backbone interact. energy: -1.920 local terms energy: -434.705098 where: bonds (distance) C4'-P energy: -91.806 bonds (distance) P-C4' energy: -87.686 flat angles C4'-P-C4' energy: -94.259 flat angles P-C4'-P energy: -53.733 tors. eta vs tors. theta energy: -107.222 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: 6, replica: 9 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -1359.773110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.773110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.773110 (E_RNA) where: Base-Base interactions energy: -937.545 where: short stacking energy: -402.931 Base-Backbone interact. energy: 1.893 local terms energy: -424.121838 where: bonds (distance) C4'-P energy: -85.066 bonds (distance) P-C4' energy: -89.961 flat angles C4'-P-C4' energy: -86.307 flat angles P-C4'-P energy: -54.521 tors. eta vs tors. theta energy: -108.266 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: 4 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -1269.263322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1269.263322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1269.263322 (E_RNA) where: Base-Base interactions energy: -870.948 where: short stacking energy: -384.703 Base-Backbone interact. energy: -0.929 local terms energy: -397.386138 where: bonds (distance) C4'-P energy: -80.398 bonds (distance) P-C4' energy: -73.628 flat angles C4'-P-C4' energy: -96.905 flat angles P-C4'-P energy: -60.526 tors. eta vs tors. theta energy: -85.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -1259.708107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.708107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.708107 (E_RNA) where: Base-Base interactions energy: -849.484 where: short stacking energy: -381.010 Base-Backbone interact. energy: -2.361 local terms energy: -407.863352 where: bonds (distance) C4'-P energy: -86.389 bonds (distance) P-C4' energy: -103.092 flat angles C4'-P-C4' energy: -80.766 flat angles P-C4'-P energy: -38.496 tors. eta vs tors. theta energy: -99.121 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: 2 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -852.394644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.394644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.394644 (E_RNA) where: Base-Base interactions energy: -537.991 where: short stacking energy: -248.272 Base-Backbone interact. energy: -2.846 local terms energy: -311.558112 where: bonds (distance) C4'-P energy: -73.942 bonds (distance) P-C4' energy: -80.708 flat angles C4'-P-C4' energy: -66.529 flat angles P-C4'-P energy: -59.948 tors. eta vs tors. theta energy: -30.431 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: 378 Temperature: 1.350000 Total energy: -721.076449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.076449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.076449 (E_RNA) where: Base-Base interactions energy: -424.779 where: short stacking energy: -216.888 Base-Backbone interact. energy: 2.960 local terms energy: -299.257412 where: bonds (distance) C4'-P energy: -60.114 bonds (distance) P-C4' energy: -88.384 flat angles C4'-P-C4' energy: -73.184 flat angles P-C4'-P energy: -50.541 tors. eta vs tors. theta energy: -27.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1865.812947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.812947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.812947 (E_RNA) where: Base-Base interactions energy: -1309.734 where: short stacking energy: -555.764 Base-Backbone interact. energy: -3.276 local terms energy: -552.802446 where: bonds (distance) C4'-P energy: -101.904 bonds (distance) P-C4' energy: -94.593 flat angles C4'-P-C4' energy: -118.390 flat angles P-C4'-P energy: -88.101 tors. eta vs tors. theta energy: -149.815 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: 8 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1755.006991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1755.006991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1755.006991 (E_RNA) where: Base-Base interactions energy: -1246.730 where: short stacking energy: -551.697 Base-Backbone interact. energy: -2.200 local terms energy: -506.076987 where: bonds (distance) C4'-P energy: -90.064 bonds (distance) P-C4' energy: -86.691 flat angles C4'-P-C4' energy: -106.517 flat angles P-C4'-P energy: -71.872 tors. eta vs tors. theta energy: -150.933 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: 5 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1742.013966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.013966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.013966 (E_RNA) where: Base-Base interactions energy: -1208.183 where: short stacking energy: -538.862 Base-Backbone interact. energy: -2.487 local terms energy: -531.344368 where: bonds (distance) C4'-P energy: -97.557 bonds (distance) P-C4' energy: -95.724 flat angles C4'-P-C4' energy: -108.565 flat angles P-C4'-P energy: -78.888 tors. eta vs tors. theta energy: -150.610 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: 3 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1601.839915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.839915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.839915 (E_RNA) where: Base-Base interactions energy: -1129.797 where: short stacking energy: -465.607 Base-Backbone interact. energy: -2.418 local terms energy: -469.625044 where: bonds (distance) C4'-P energy: -85.681 bonds (distance) P-C4' energy: -87.869 flat angles C4'-P-C4' energy: -102.941 flat angles P-C4'-P energy: -69.940 tors. eta vs tors. theta energy: -123.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -1445.142174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.142174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.142174 (E_RNA) where: Base-Base interactions energy: -991.259 where: short stacking energy: -410.051 Base-Backbone interact. energy: -2.386 local terms energy: -451.498046 where: bonds (distance) C4'-P energy: -91.614 bonds (distance) P-C4' energy: -95.836 flat angles C4'-P-C4' energy: -102.196 flat angles P-C4'-P energy: -65.960 tors. eta vs tors. theta energy: -95.892 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: 9 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -1366.220526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.220526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.220526 (E_RNA) where: Base-Base interactions energy: -924.349 where: short stacking energy: -426.430 Base-Backbone interact. energy: 0.558 local terms energy: -442.429437 where: bonds (distance) C4'-P energy: -85.205 bonds (distance) P-C4' energy: -85.041 flat angles C4'-P-C4' energy: -95.865 flat angles P-C4'-P energy: -58.990 tors. eta vs tors. theta energy: -117.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -1310.870374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.870374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.870374 (E_RNA) where: Base-Base interactions energy: -878.319 where: short stacking energy: -393.318 Base-Backbone interact. energy: -2.246 local terms energy: -430.305010 where: bonds (distance) C4'-P energy: -89.147 bonds (distance) P-C4' energy: -93.162 flat angles C4'-P-C4' energy: -89.247 flat angles P-C4'-P energy: -46.631 tors. eta vs tors. theta energy: -112.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -1247.888949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1247.888949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1247.888949 (E_RNA) where: Base-Base interactions energy: -833.778 where: short stacking energy: -370.969 Base-Backbone interact. energy: -1.286 local terms energy: -412.824538 where: bonds (distance) C4'-P energy: -79.042 bonds (distance) P-C4' energy: -84.855 flat angles C4'-P-C4' energy: -88.936 flat angles P-C4'-P energy: -58.301 tors. eta vs tors. theta energy: -101.691 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: 2 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -868.674980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.674980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.674980 (E_RNA) where: Base-Base interactions energy: -552.263 where: short stacking energy: -259.046 Base-Backbone interact. energy: -4.955 local terms energy: -311.457257 where: bonds (distance) C4'-P energy: -83.895 bonds (distance) P-C4' energy: -84.385 flat angles C4'-P-C4' energy: -71.221 flat angles P-C4'-P energy: -34.451 tors. eta vs tors. theta energy: -37.505 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: 10 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -703.726391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.726391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.726391 (E_RNA) where: Base-Base interactions energy: -398.275 where: short stacking energy: -205.495 Base-Backbone interact. energy: 1.583 local terms energy: -307.034381 where: bonds (distance) C4'-P energy: -65.831 bonds (distance) P-C4' energy: -82.261 flat angles C4'-P-C4' energy: -76.946 flat angles P-C4'-P energy: -52.681 tors. eta vs tors. theta energy: -29.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1858.722566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.722566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.722566 (E_RNA) where: Base-Base interactions energy: -1313.446 where: short stacking energy: -546.074 Base-Backbone interact. energy: -1.437 local terms energy: -543.839917 where: bonds (distance) C4'-P energy: -95.767 bonds (distance) P-C4' energy: -101.067 flat angles C4'-P-C4' energy: -122.999 flat angles P-C4'-P energy: -72.306 tors. eta vs tors. theta energy: -151.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1772.483787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.483787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.483787 (E_RNA) where: Base-Base interactions energy: -1228.531 where: short stacking energy: -529.870 Base-Backbone interact. energy: -3.206 local terms energy: -540.746407 where: bonds (distance) C4'-P energy: -98.833 bonds (distance) P-C4' energy: -109.561 flat angles C4'-P-C4' energy: -104.146 flat angles P-C4'-P energy: -76.451 tors. eta vs tors. theta energy: -151.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1731.965912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.965912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.965912 (E_RNA) where: Base-Base interactions energy: -1203.905 where: short stacking energy: -548.926 Base-Backbone interact. energy: -0.347 local terms energy: -527.713638 where: bonds (distance) C4'-P energy: -93.243 bonds (distance) P-C4' energy: -75.835 flat angles C4'-P-C4' energy: -121.302 flat angles P-C4'-P energy: -78.680 tors. eta vs tors. theta energy: -158.654 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: 3 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1569.240655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.240655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.240655 (E_RNA) where: Base-Base interactions energy: -1107.935 where: short stacking energy: -472.002 Base-Backbone interact. energy: 0.308 local terms energy: -461.613311 where: bonds (distance) C4'-P energy: -86.055 bonds (distance) P-C4' energy: -69.805 flat angles C4'-P-C4' energy: -101.711 flat angles P-C4'-P energy: -76.051 tors. eta vs tors. theta energy: -127.992 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: 380 Temperature: 1.100000 Total energy: -1461.817553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.817553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.817553 (E_RNA) where: Base-Base interactions energy: -1012.141 where: short stacking energy: -435.394 Base-Backbone interact. energy: -1.111 local terms energy: -448.565299 where: bonds (distance) C4'-P energy: -85.736 bonds (distance) P-C4' energy: -82.088 flat angles C4'-P-C4' energy: -103.600 flat angles P-C4'-P energy: -62.342 tors. eta vs tors. theta energy: -114.799 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: 9 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -1376.892116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.892116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.892116 (E_RNA) where: Base-Base interactions energy: -925.516 where: short stacking energy: -425.072 Base-Backbone interact. energy: -0.265 local terms energy: -451.111343 where: bonds (distance) C4'-P energy: -80.595 bonds (distance) P-C4' energy: -94.699 flat angles C4'-P-C4' energy: -93.375 flat angles P-C4'-P energy: -67.681 tors. eta vs tors. theta energy: -114.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -1317.343913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.343913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.343913 (E_RNA) where: Base-Base interactions energy: -916.575 where: short stacking energy: -406.396 Base-Backbone interact. energy: -0.869 local terms energy: -399.899854 where: bonds (distance) C4'-P energy: -63.992 bonds (distance) P-C4' energy: -82.888 flat angles C4'-P-C4' energy: -96.241 flat angles P-C4'-P energy: -53.480 tors. eta vs tors. theta energy: -103.298 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: 8, replica: 4 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -1241.115104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1241.115104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1241.115104 (E_RNA) where: Base-Base interactions energy: -854.070 where: short stacking energy: -374.490 Base-Backbone interact. energy: -1.561 local terms energy: -385.483416 where: bonds (distance) C4'-P energy: -72.073 bonds (distance) P-C4' energy: -59.360 flat angles C4'-P-C4' energy: -98.891 flat angles P-C4'-P energy: -55.447 tors. eta vs tors. theta energy: -99.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -916.992806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.992806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.992806 (E_RNA) where: Base-Base interactions energy: -590.298 where: short stacking energy: -256.245 Base-Backbone interact. energy: -1.068 local terms energy: -325.627011 where: bonds (distance) C4'-P energy: -66.389 bonds (distance) P-C4' energy: -77.768 flat angles C4'-P-C4' energy: -83.298 flat angles P-C4'-P energy: -44.545 tors. eta vs tors. theta energy: -53.626 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: 10, replica: 10 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -759.891906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.891906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.891906 (E_RNA) where: Base-Base interactions energy: -437.165 where: short stacking energy: -223.098 Base-Backbone interact. energy: 2.265 local terms energy: -324.991897 where: bonds (distance) C4'-P energy: -67.471 bonds (distance) P-C4' energy: -87.460 flat angles C4'-P-C4' energy: -88.215 flat angles P-C4'-P energy: -50.011 tors. eta vs tors. theta energy: -31.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1848.880072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1848.880072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1848.880072 (E_RNA) where: Base-Base interactions energy: -1331.585 where: short stacking energy: -566.096 Base-Backbone interact. energy: 0.650 local terms energy: -517.944918 where: bonds (distance) C4'-P energy: -78.142 bonds (distance) P-C4' energy: -101.568 flat angles C4'-P-C4' energy: -110.296 flat angles P-C4'-P energy: -70.839 tors. eta vs tors. theta energy: -157.100 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: 8 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1778.920551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.920551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.920551 (E_RNA) where: Base-Base interactions energy: -1228.310 where: short stacking energy: -523.323 Base-Backbone interact. energy: -0.885 local terms energy: -549.725601 where: bonds (distance) C4'-P energy: -112.785 bonds (distance) P-C4' energy: -99.949 flat angles C4'-P-C4' energy: -116.356 flat angles P-C4'-P energy: -76.132 tors. eta vs tors. theta energy: -144.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1721.326707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.326707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.326707 (E_RNA) where: Base-Base interactions energy: -1201.424 where: short stacking energy: -522.601 Base-Backbone interact. energy: -2.523 local terms energy: -517.378975 where: bonds (distance) C4'-P energy: -104.910 bonds (distance) P-C4' energy: -77.562 flat angles C4'-P-C4' energy: -114.341 flat angles P-C4'-P energy: -71.946 tors. eta vs tors. theta energy: -148.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1611.295927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.295927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.295927 (E_RNA) where: Base-Base interactions energy: -1125.659 where: short stacking energy: -469.754 Base-Backbone interact. energy: -3.801 local terms energy: -481.836045 where: bonds (distance) C4'-P energy: -91.156 bonds (distance) P-C4' energy: -90.116 flat angles C4'-P-C4' energy: -107.277 flat angles P-C4'-P energy: -67.683 tors. eta vs tors. theta energy: -125.604 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: 7 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -1419.674557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1419.674557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1419.674557 (E_RNA) where: Base-Base interactions energy: -965.737 where: short stacking energy: -398.604 Base-Backbone interact. energy: -1.774 local terms energy: -452.163620 where: bonds (distance) C4'-P energy: -95.325 bonds (distance) P-C4' energy: -99.488 flat angles C4'-P-C4' energy: -95.700 flat angles P-C4'-P energy: -51.958 tors. eta vs tors. theta energy: -109.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -1443.554234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1443.554234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1443.554234 (E_RNA) where: Base-Base interactions energy: -1009.845 where: short stacking energy: -462.676 Base-Backbone interact. energy: -0.660 local terms energy: -433.049752 where: bonds (distance) C4'-P energy: -64.205 bonds (distance) P-C4' energy: -73.763 flat angles C4'-P-C4' energy: -107.084 flat angles P-C4'-P energy: -59.716 tors. eta vs tors. theta energy: -128.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -1302.281117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.281117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.281117 (E_RNA) where: Base-Base interactions energy: -875.919 where: short stacking energy: -375.433 Base-Backbone interact. energy: -0.568 local terms energy: -425.794368 where: bonds (distance) C4'-P energy: -77.433 bonds (distance) P-C4' energy: -90.661 flat angles C4'-P-C4' energy: -103.934 flat angles P-C4'-P energy: -54.223 tors. eta vs tors. theta energy: -99.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -1295.918850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.918850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.918850 (E_RNA) where: Base-Base interactions energy: -873.049 where: short stacking energy: -386.886 Base-Backbone interact. energy: -2.492 local terms energy: -420.377529 where: bonds (distance) C4'-P energy: -80.158 bonds (distance) P-C4' energy: -96.039 flat angles C4'-P-C4' energy: -78.618 flat angles P-C4'-P energy: -53.279 tors. eta vs tors. theta energy: -112.283 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: 2 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -904.029131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.029131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.029131 (E_RNA) where: Base-Base interactions energy: -581.927 where: short stacking energy: -275.872 Base-Backbone interact. energy: 0.483 local terms energy: -322.584998 where: bonds (distance) C4'-P energy: -80.900 bonds (distance) P-C4' energy: -78.556 flat angles C4'-P-C4' energy: -83.752 flat angles P-C4'-P energy: -39.857 tors. eta vs tors. theta energy: -39.519 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: 381 Temperature: 1.350000 Total energy: -772.632038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.632038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.632038 (E_RNA) where: Base-Base interactions energy: -467.766 where: short stacking energy: -213.187 Base-Backbone interact. energy: 3.593 local terms energy: -308.459165 where: bonds (distance) C4'-P energy: -86.073 bonds (distance) P-C4' energy: -86.308 flat angles C4'-P-C4' energy: -84.955 flat angles P-C4'-P energy: -40.976 tors. eta vs tors. theta energy: -10.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1875.052908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.052908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.052908 (E_RNA) where: Base-Base interactions energy: -1314.991 where: short stacking energy: -559.578 Base-Backbone interact. energy: -3.226 local terms energy: -556.835371 where: bonds (distance) C4'-P energy: -98.762 bonds (distance) P-C4' energy: -104.564 flat angles C4'-P-C4' energy: -117.429 flat angles P-C4'-P energy: -73.804 tors. eta vs tors. theta energy: -162.277 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: 8 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1769.364185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.364185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.364185 (E_RNA) where: Base-Base interactions energy: -1251.870 where: short stacking energy: -530.859 Base-Backbone interact. energy: -2.334 local terms energy: -515.160410 where: bonds (distance) C4'-P energy: -81.538 bonds (distance) P-C4' energy: -99.394 flat angles C4'-P-C4' energy: -109.260 flat angles P-C4'-P energy: -70.120 tors. eta vs tors. theta energy: -154.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1717.786604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.786604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.786604 (E_RNA) where: Base-Base interactions energy: -1197.625 where: short stacking energy: -529.718 Base-Backbone interact. energy: -3.708 local terms energy: -516.453203 where: bonds (distance) C4'-P energy: -98.047 bonds (distance) P-C4' energy: -98.574 flat angles C4'-P-C4' energy: -111.348 flat angles P-C4'-P energy: -58.764 tors. eta vs tors. theta energy: -149.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1549.761026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.761026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.761026 (E_RNA) where: Base-Base interactions energy: -1085.810 where: short stacking energy: -468.555 Base-Backbone interact. energy: -1.496 local terms energy: -462.454384 where: bonds (distance) C4'-P energy: -88.575 bonds (distance) P-C4' energy: -93.457 flat angles C4'-P-C4' energy: -101.939 flat angles P-C4'-P energy: -55.226 tors. eta vs tors. theta energy: -123.257 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: 7 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -1433.909305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1433.909305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1433.909305 (E_RNA) where: Base-Base interactions energy: -990.612 where: short stacking energy: -401.163 Base-Backbone interact. energy: -0.004 local terms energy: -443.293779 where: bonds (distance) C4'-P energy: -72.587 bonds (distance) P-C4' energy: -96.748 flat angles C4'-P-C4' energy: -104.219 flat angles P-C4'-P energy: -61.635 tors. eta vs tors. theta energy: -108.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -1425.033487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.033487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.033487 (E_RNA) where: Base-Base interactions energy: -965.655 where: short stacking energy: -445.212 Base-Backbone interact. energy: -2.374 local terms energy: -457.004456 where: bonds (distance) C4'-P energy: -76.503 bonds (distance) P-C4' energy: -98.590 flat angles C4'-P-C4' energy: -92.975 flat angles P-C4'-P energy: -69.049 tors. eta vs tors. theta energy: -119.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -1255.502126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.502126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.502126 (E_RNA) where: Base-Base interactions energy: -861.361 where: short stacking energy: -397.890 Base-Backbone interact. energy: -1.679 local terms energy: -392.461148 where: bonds (distance) C4'-P energy: -77.786 bonds (distance) P-C4' energy: -73.339 flat angles C4'-P-C4' energy: -90.326 flat angles P-C4'-P energy: -50.788 tors. eta vs tors. theta energy: -100.223 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: 1 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -1264.400808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.400808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.400808 (E_RNA) where: Base-Base interactions energy: -827.870 where: short stacking energy: -366.946 Base-Backbone interact. energy: -2.274 local terms energy: -434.256448 where: bonds (distance) C4'-P energy: -99.939 bonds (distance) P-C4' energy: -79.334 flat angles C4'-P-C4' energy: -96.233 flat angles P-C4'-P energy: -57.444 tors. eta vs tors. theta energy: -101.306 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: 9, replica: 2 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -956.371843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.371843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.371843 (E_RNA) where: Base-Base interactions energy: -618.290 where: short stacking energy: -289.376 Base-Backbone interact. energy: 0.267 local terms energy: -338.348725 where: bonds (distance) C4'-P energy: -73.486 bonds (distance) P-C4' energy: -87.480 flat angles C4'-P-C4' energy: -82.676 flat angles P-C4'-P energy: -46.804 tors. eta vs tors. theta energy: -47.902 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: 10, replica: 10 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -706.052870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.052870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.052870 (E_RNA) where: Base-Base interactions energy: -429.982 where: short stacking energy: -204.743 Base-Backbone interact. energy: -3.028 local terms energy: -273.042947 where: bonds (distance) C4'-P energy: -65.390 bonds (distance) P-C4' energy: -78.775 flat angles C4'-P-C4' energy: -75.969 flat angles P-C4'-P energy: -47.314 tors. eta vs tors. theta energy: -5.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1880.115191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.115191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.115191 (E_RNA) where: Base-Base interactions energy: -1322.459 where: short stacking energy: -564.470 Base-Backbone interact. energy: -2.083 local terms energy: -555.573542 where: bonds (distance) C4'-P energy: -105.962 bonds (distance) P-C4' energy: -104.513 flat angles C4'-P-C4' energy: -120.490 flat angles P-C4'-P energy: -68.840 tors. eta vs tors. theta energy: -155.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1765.444116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.444116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.444116 (E_RNA) where: Base-Base interactions energy: -1233.075 where: short stacking energy: -519.718 Base-Backbone interact. energy: 0.841 local terms energy: -533.210348 where: bonds (distance) C4'-P energy: -90.709 bonds (distance) P-C4' energy: -96.523 flat angles C4'-P-C4' energy: -115.567 flat angles P-C4'-P energy: -74.271 tors. eta vs tors. theta energy: -156.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1714.876310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.876310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.876310 (E_RNA) where: Base-Base interactions energy: -1215.225 where: short stacking energy: -518.279 Base-Backbone interact. energy: -1.814 local terms energy: -497.838112 where: bonds (distance) C4'-P energy: -92.492 bonds (distance) P-C4' energy: -88.912 flat angles C4'-P-C4' energy: -98.497 flat angles P-C4'-P energy: -69.304 tors. eta vs tors. theta energy: -148.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1555.199322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.199322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.199322 (E_RNA) where: Base-Base interactions energy: -1066.275 where: short stacking energy: -464.237 Base-Backbone interact. energy: -1.950 local terms energy: -486.974403 where: bonds (distance) C4'-P energy: -89.156 bonds (distance) P-C4' energy: -92.243 flat angles C4'-P-C4' energy: -100.874 flat angles P-C4'-P energy: -77.097 tors. eta vs tors. theta energy: -127.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -1412.456902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.456902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.456902 (E_RNA) where: Base-Base interactions energy: -976.627 where: short stacking energy: -420.630 Base-Backbone interact. energy: 0.085 local terms energy: -435.915122 where: bonds (distance) C4'-P energy: -82.412 bonds (distance) P-C4' energy: -88.263 flat angles C4'-P-C4' energy: -103.097 flat angles P-C4'-P energy: -54.701 tors. eta vs tors. theta energy: -107.441 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: 6, replica: 9 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -1415.036774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.036774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.036774 (E_RNA) where: Base-Base interactions energy: -967.884 where: short stacking energy: -438.255 Base-Backbone interact. energy: -0.316 local terms energy: -446.836794 where: bonds (distance) C4'-P energy: -82.948 bonds (distance) P-C4' energy: -86.391 flat angles C4'-P-C4' energy: -93.337 flat angles P-C4'-P energy: -68.102 tors. eta vs tors. theta energy: -116.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -1249.106875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.106875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.106875 (E_RNA) where: Base-Base interactions energy: -834.933 where: short stacking energy: -383.982 Base-Backbone interact. energy: -0.767 local terms energy: -413.406932 where: bonds (distance) C4'-P energy: -78.719 bonds (distance) P-C4' energy: -79.010 flat angles C4'-P-C4' energy: -99.252 flat angles P-C4'-P energy: -66.943 tors. eta vs tors. theta energy: -89.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -1254.764162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.764162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.764162 (E_RNA) where: Base-Base interactions energy: -869.254 where: short stacking energy: -393.609 Base-Backbone interact. energy: -0.853 local terms energy: -384.656874 where: bonds (distance) C4'-P energy: -75.101 bonds (distance) P-C4' energy: -70.286 flat angles C4'-P-C4' energy: -87.715 flat angles P-C4'-P energy: -65.448 tors. eta vs tors. theta energy: -86.107 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: 2 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -989.584161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.584161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.584161 (E_RNA) where: Base-Base interactions energy: -654.145 where: short stacking energy: -301.778 Base-Backbone interact. energy: 1.048 local terms energy: -336.487203 where: bonds (distance) C4'-P energy: -67.266 bonds (distance) P-C4' energy: -78.215 flat angles C4'-P-C4' energy: -81.103 flat angles P-C4'-P energy: -51.114 tors. eta vs tors. theta energy: -58.789 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: 383 Temperature: 1.350000 Total energy: -762.078966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.078966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.078966 (E_RNA) where: Base-Base interactions energy: -434.980 where: short stacking energy: -210.695 Base-Backbone interact. energy: 0.132 local terms energy: -327.231162 where: bonds (distance) C4'-P energy: -77.059 bonds (distance) P-C4' energy: -100.914 flat angles C4'-P-C4' energy: -78.300 flat angles P-C4'-P energy: -48.029 tors. eta vs tors. theta energy: -22.929 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: 1, replica: 6 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1881.017579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.017579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.017579 (E_RNA) where: Base-Base interactions energy: -1340.192 where: short stacking energy: -552.287 Base-Backbone interact. energy: 1.804 local terms energy: -542.629921 where: bonds (distance) C4'-P energy: -87.425 bonds (distance) P-C4' energy: -117.648 flat angles C4'-P-C4' energy: -111.299 flat angles P-C4'-P energy: -71.412 tors. eta vs tors. theta energy: -154.846 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: 5 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1735.143307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.143307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.143307 (E_RNA) where: Base-Base interactions energy: -1196.602 where: short stacking energy: -526.087 Base-Backbone interact. energy: -1.679 local terms energy: -536.862755 where: bonds (distance) C4'-P energy: -90.894 bonds (distance) P-C4' energy: -96.542 flat angles C4'-P-C4' energy: -121.263 flat angles P-C4'-P energy: -71.883 tors. eta vs tors. theta energy: -156.281 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: 3, replica: 8 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1746.350831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.350831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.350831 (E_RNA) where: Base-Base interactions energy: -1237.012 where: short stacking energy: -530.073 Base-Backbone interact. energy: -2.900 local terms energy: -506.438768 where: bonds (distance) C4'-P energy: -87.325 bonds (distance) P-C4' energy: -97.303 flat angles C4'-P-C4' energy: -101.867 flat angles P-C4'-P energy: -63.527 tors. eta vs tors. theta energy: -156.417 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: 4, replica: 3 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1576.714499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.714499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.714499 (E_RNA) where: Base-Base interactions energy: -1099.846 where: short stacking energy: -475.442 Base-Backbone interact. energy: -1.842 local terms energy: -475.027063 where: bonds (distance) C4'-P energy: -90.448 bonds (distance) P-C4' energy: -87.812 flat angles C4'-P-C4' energy: -105.358 flat angles P-C4'-P energy: -68.664 tors. eta vs tors. theta energy: -122.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -1449.325725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.325725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.325725 (E_RNA) where: Base-Base interactions energy: -974.055 where: short stacking energy: -406.873 Base-Backbone interact. energy: -0.458 local terms energy: -474.813404 where: bonds (distance) C4'-P energy: -86.593 bonds (distance) P-C4' energy: -94.024 flat angles C4'-P-C4' energy: -107.250 flat angles P-C4'-P energy: -80.430 tors. eta vs tors. theta energy: -106.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -1400.369134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.369134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.369134 (E_RNA) where: Base-Base interactions energy: -977.254 where: short stacking energy: -437.064 Base-Backbone interact. energy: -1.522 local terms energy: -421.593984 where: bonds (distance) C4'-P energy: -76.713 bonds (distance) P-C4' energy: -73.893 flat angles C4'-P-C4' energy: -104.347 flat angles P-C4'-P energy: -55.427 tors. eta vs tors. theta energy: -111.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -1336.189742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.189742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.189742 (E_RNA) where: Base-Base interactions energy: -912.907 where: short stacking energy: -410.037 Base-Backbone interact. energy: -1.691 local terms energy: -421.591789 where: bonds (distance) C4'-P energy: -84.902 bonds (distance) P-C4' energy: -89.960 flat angles C4'-P-C4' energy: -83.446 flat angles P-C4'-P energy: -58.404 tors. eta vs tors. theta energy: -104.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -1238.881030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1238.881030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1238.881030 (E_RNA) where: Base-Base interactions energy: -838.092 where: short stacking energy: -359.373 Base-Backbone interact. energy: 1.052 local terms energy: -401.841379 where: bonds (distance) C4'-P energy: -79.594 bonds (distance) P-C4' energy: -88.737 flat angles C4'-P-C4' energy: -102.573 flat angles P-C4'-P energy: -56.563 tors. eta vs tors. theta energy: -74.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -932.705643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.705643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.705643 (E_RNA) where: Base-Base interactions energy: -607.723 where: short stacking energy: -262.585 Base-Backbone interact. energy: -0.543 local terms energy: -324.438972 where: bonds (distance) C4'-P energy: -83.950 bonds (distance) P-C4' energy: -72.216 flat angles C4'-P-C4' energy: -66.097 flat angles P-C4'-P energy: -60.613 tors. eta vs tors. theta energy: -41.562 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: 10, replica: 10 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -726.847759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.847759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.847759 (E_RNA) where: Base-Base interactions energy: -422.198 where: short stacking energy: -210.116 Base-Backbone interact. energy: -1.654 local terms energy: -302.995645 where: bonds (distance) C4'-P energy: -69.727 bonds (distance) P-C4' energy: -91.910 flat angles C4'-P-C4' energy: -76.712 flat angles P-C4'-P energy: -53.019 tors. eta vs tors. theta energy: -11.627 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: 1, replica: 6 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1888.622474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.622474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.622474 (E_RNA) where: Base-Base interactions energy: -1325.167 where: short stacking energy: -566.451 Base-Backbone interact. energy: -1.194 local terms energy: -562.262031 where: bonds (distance) C4'-P energy: -105.425 bonds (distance) P-C4' energy: -105.330 flat angles C4'-P-C4' energy: -113.218 flat angles P-C4'-P energy: -77.420 tors. eta vs tors. theta energy: -160.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1747.844643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.844643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.844643 (E_RNA) where: Base-Base interactions energy: -1211.382 where: short stacking energy: -513.616 Base-Backbone interact. energy: -1.746 local terms energy: -534.716708 where: bonds (distance) C4'-P energy: -91.472 bonds (distance) P-C4' energy: -102.023 flat angles C4'-P-C4' energy: -109.797 flat angles P-C4'-P energy: -83.627 tors. eta vs tors. theta energy: -147.798 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: 3, replica: 5 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1723.985684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.985684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.985684 (E_RNA) where: Base-Base interactions energy: -1185.119 where: short stacking energy: -543.361 Base-Backbone interact. energy: -1.726 local terms energy: -537.140831 where: bonds (distance) C4'-P energy: -106.114 bonds (distance) P-C4' energy: -99.188 flat angles C4'-P-C4' energy: -108.219 flat angles P-C4'-P energy: -74.916 tors. eta vs tors. theta energy: -148.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1562.517242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.517242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.517242 (E_RNA) where: Base-Base interactions energy: -1085.495 where: short stacking energy: -475.795 Base-Backbone interact. energy: -5.987 local terms energy: -471.034738 where: bonds (distance) C4'-P energy: -83.039 bonds (distance) P-C4' energy: -91.024 flat angles C4'-P-C4' energy: -110.258 flat angles P-C4'-P energy: -64.954 tors. eta vs tors. theta energy: -121.760 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: 385 Temperature: 1.100000 Total energy: -1460.672009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1460.672009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1460.672009 (E_RNA) where: Base-Base interactions energy: -1002.022 where: short stacking energy: -424.409 Base-Backbone interact. energy: -2.617 local terms energy: -456.033416 where: bonds (distance) C4'-P energy: -79.024 bonds (distance) P-C4' energy: -89.687 flat angles C4'-P-C4' energy: -107.192 flat angles P-C4'-P energy: -68.633 tors. eta vs tors. theta energy: -111.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -1380.408074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1380.408074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1380.408074 (E_RNA) where: Base-Base interactions energy: -951.912 where: short stacking energy: -421.332 Base-Backbone interact. energy: -0.804 local terms energy: -427.692239 where: bonds (distance) C4'-P energy: -87.841 bonds (distance) P-C4' energy: -88.671 flat angles C4'-P-C4' energy: -86.237 flat angles P-C4'-P energy: -54.005 tors. eta vs tors. theta energy: -110.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -1320.763008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.763008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.763008 (E_RNA) where: Base-Base interactions energy: -875.300 where: short stacking energy: -403.477 Base-Backbone interact. energy: 0.319 local terms energy: -445.782223 where: bonds (distance) C4'-P energy: -86.896 bonds (distance) P-C4' energy: -89.342 flat angles C4'-P-C4' energy: -96.785 flat angles P-C4'-P energy: -68.643 tors. eta vs tors. theta energy: -104.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -1276.638886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.638886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.638886 (E_RNA) where: Base-Base interactions energy: -877.576 where: short stacking energy: -394.533 Base-Backbone interact. energy: -1.359 local terms energy: -397.704072 where: bonds (distance) C4'-P energy: -70.296 bonds (distance) P-C4' energy: -78.447 flat angles C4'-P-C4' energy: -90.657 flat angles P-C4'-P energy: -47.812 tors. eta vs tors. theta energy: -110.492 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: 9, replica: 2 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -943.203996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.203996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.203996 (E_RNA) where: Base-Base interactions energy: -595.164 where: short stacking energy: -267.122 Base-Backbone interact. energy: 5.002 local terms energy: -353.041698 where: bonds (distance) C4'-P energy: -85.783 bonds (distance) P-C4' energy: -99.785 flat angles C4'-P-C4' energy: -85.672 flat angles P-C4'-P energy: -43.161 tors. eta vs tors. theta energy: -38.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -734.795343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.795343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.795343 (E_RNA) where: Base-Base interactions energy: -440.052 where: short stacking energy: -225.803 Base-Backbone interact. energy: -1.572 local terms energy: -293.171508 where: bonds (distance) C4'-P energy: -70.741 bonds (distance) P-C4' energy: -83.847 flat angles C4'-P-C4' energy: -66.844 flat angles P-C4'-P energy: -43.407 tors. eta vs tors. theta energy: -28.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1869.615909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.615909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.615909 (E_RNA) where: Base-Base interactions energy: -1322.682 where: short stacking energy: -559.254 Base-Backbone interact. energy: -2.675 local terms energy: -544.259744 where: bonds (distance) C4'-P energy: -93.772 bonds (distance) P-C4' energy: -97.860 flat angles C4'-P-C4' energy: -117.952 flat angles P-C4'-P energy: -80.714 tors. eta vs tors. theta energy: -153.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1772.207565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.207565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.207565 (E_RNA) where: Base-Base interactions energy: -1242.857 where: short stacking energy: -521.408 Base-Backbone interact. energy: -1.262 local terms energy: -528.088157 where: bonds (distance) C4'-P energy: -97.151 bonds (distance) P-C4' energy: -90.750 flat angles C4'-P-C4' energy: -117.929 flat angles P-C4'-P energy: -68.980 tors. eta vs tors. theta energy: -153.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1733.237585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.237585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.237585 (E_RNA) where: Base-Base interactions energy: -1191.508 where: short stacking energy: -511.594 Base-Backbone interact. energy: -0.967 local terms energy: -540.762039 where: bonds (distance) C4'-P energy: -102.221 bonds (distance) P-C4' energy: -100.578 flat angles C4'-P-C4' energy: -111.212 flat angles P-C4'-P energy: -71.693 tors. eta vs tors. theta energy: -155.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1592.788354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.788354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.788354 (E_RNA) where: Base-Base interactions energy: -1101.028 where: short stacking energy: -464.866 Base-Backbone interact. energy: -2.158 local terms energy: -489.601699 where: bonds (distance) C4'-P energy: -83.566 bonds (distance) P-C4' energy: -88.468 flat angles C4'-P-C4' energy: -106.268 flat angles P-C4'-P energy: -84.467 tors. eta vs tors. theta energy: -126.833 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: 386 Temperature: 1.100000 Total energy: -1461.462983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.462983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.462983 (E_RNA) where: Base-Base interactions energy: -1019.353 where: short stacking energy: -423.332 Base-Backbone interact. energy: -1.697 local terms energy: -440.413304 where: bonds (distance) C4'-P energy: -82.962 bonds (distance) P-C4' energy: -87.043 flat angles C4'-P-C4' energy: -101.542 flat angles P-C4'-P energy: -64.340 tors. eta vs tors. theta energy: -104.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -1389.034735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1389.034735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1389.034735 (E_RNA) where: Base-Base interactions energy: -942.019 where: short stacking energy: -406.432 Base-Backbone interact. energy: -0.013 local terms energy: -447.002703 where: bonds (distance) C4'-P energy: -87.087 bonds (distance) P-C4' energy: -91.146 flat angles C4'-P-C4' energy: -104.303 flat angles P-C4'-P energy: -55.619 tors. eta vs tors. theta energy: -108.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -1339.747105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.747105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.747105 (E_RNA) where: Base-Base interactions energy: -903.509 where: short stacking energy: -380.355 Base-Backbone interact. energy: -1.655 local terms energy: -434.583379 where: bonds (distance) C4'-P energy: -77.411 bonds (distance) P-C4' energy: -101.296 flat angles C4'-P-C4' energy: -96.558 flat angles P-C4'-P energy: -66.513 tors. eta vs tors. theta energy: -92.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -1281.267517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.267517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.267517 (E_RNA) where: Base-Base interactions energy: -859.483 where: short stacking energy: -388.611 Base-Backbone interact. energy: -0.235 local terms energy: -421.549414 where: bonds (distance) C4'-P energy: -74.033 bonds (distance) P-C4' energy: -88.255 flat angles C4'-P-C4' energy: -92.425 flat angles P-C4'-P energy: -66.699 tors. eta vs tors. theta energy: -100.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -920.689614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.689614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.689614 (E_RNA) where: Base-Base interactions energy: -590.181 where: short stacking energy: -251.636 Base-Backbone interact. energy: -1.923 local terms energy: -328.585302 where: bonds (distance) C4'-P energy: -81.503 bonds (distance) P-C4' energy: -77.374 flat angles C4'-P-C4' energy: -72.354 flat angles P-C4'-P energy: -53.483 tors. eta vs tors. theta energy: -43.871 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: 10, replica: 10 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -702.657907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.657907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.657907 (E_RNA) where: Base-Base interactions energy: -417.128 where: short stacking energy: -218.932 Base-Backbone interact. energy: -0.054 local terms energy: -285.475105 where: bonds (distance) C4'-P energy: -68.421 bonds (distance) P-C4' energy: -81.350 flat angles C4'-P-C4' energy: -80.539 flat angles P-C4'-P energy: -34.202 tors. eta vs tors. theta energy: -20.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1895.846868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1895.846868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1895.846868 (E_RNA) where: Base-Base interactions energy: -1357.473 where: short stacking energy: -566.101 Base-Backbone interact. energy: 0.029 local terms energy: -538.402472 where: bonds (distance) C4'-P energy: -94.453 bonds (distance) P-C4' energy: -99.905 flat angles C4'-P-C4' energy: -102.798 flat angles P-C4'-P energy: -81.262 tors. eta vs tors. theta energy: -159.985 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: 8 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1789.912169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.912169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.912169 (E_RNA) where: Base-Base interactions energy: -1250.234 where: short stacking energy: -529.779 Base-Backbone interact. energy: -0.735 local terms energy: -538.943337 where: bonds (distance) C4'-P energy: -99.594 bonds (distance) P-C4' energy: -93.892 flat angles C4'-P-C4' energy: -116.178 flat angles P-C4'-P energy: -79.594 tors. eta vs tors. theta energy: -149.686 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: 3, replica: 5 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1707.474114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.474114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.474114 (E_RNA) where: Base-Base interactions energy: -1198.028 where: short stacking energy: -496.809 Base-Backbone interact. energy: -3.058 local terms energy: -506.387844 where: bonds (distance) C4'-P energy: -84.208 bonds (distance) P-C4' energy: -87.883 flat angles C4'-P-C4' energy: -112.962 flat angles P-C4'-P energy: -75.996 tors. eta vs tors. theta energy: -145.339 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: 3 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1634.298723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1634.298723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1634.298723 (E_RNA) where: Base-Base interactions energy: -1145.430 where: short stacking energy: -476.691 Base-Backbone interact. energy: 0.522 local terms energy: -489.390652 where: bonds (distance) C4'-P energy: -93.799 bonds (distance) P-C4' energy: -90.112 flat angles C4'-P-C4' energy: -111.024 flat angles P-C4'-P energy: -66.774 tors. eta vs tors. theta energy: -127.681 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: 387 Temperature: 1.100000 Total energy: -1440.498255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.498255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.498255 (E_RNA) where: Base-Base interactions energy: -1015.868 where: short stacking energy: -429.588 Base-Backbone interact. energy: 0.044 local terms energy: -424.673600 where: bonds (distance) C4'-P energy: -74.184 bonds (distance) P-C4' energy: -92.032 flat angles C4'-P-C4' energy: -91.377 flat angles P-C4'-P energy: -68.261 tors. eta vs tors. theta energy: -98.821 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: 1 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -1373.859786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1373.859786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1373.859786 (E_RNA) where: Base-Base interactions energy: -924.621 where: short stacking energy: -413.780 Base-Backbone interact. energy: -1.803 local terms energy: -447.435630 where: bonds (distance) C4'-P energy: -96.882 bonds (distance) P-C4' energy: -93.737 flat angles C4'-P-C4' energy: -94.651 flat angles P-C4'-P energy: -64.768 tors. eta vs tors. theta energy: -97.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -1327.676396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1327.676396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1327.676396 (E_RNA) where: Base-Base interactions energy: -931.460 where: short stacking energy: -422.112 Base-Backbone interact. energy: -1.150 local terms energy: -395.066285 where: bonds (distance) C4'-P energy: -73.358 bonds (distance) P-C4' energy: -69.865 flat angles C4'-P-C4' energy: -98.789 flat angles P-C4'-P energy: -57.319 tors. eta vs tors. theta energy: -95.735 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: 4 ===================================== Write number: 387 Temperature: 1.250000 Total energy: -1243.566596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.566596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.566596 (E_RNA) where: Base-Base interactions energy: -840.690 where: short stacking energy: -383.672 Base-Backbone interact. energy: -4.435 local terms energy: -398.441106 where: bonds (distance) C4'-P energy: -63.710 bonds (distance) P-C4' energy: -96.306 flat angles C4'-P-C4' energy: -91.861 flat angles P-C4'-P energy: -55.508 tors. eta vs tors. theta energy: -91.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -948.636939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.636939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.636939 (E_RNA) where: Base-Base interactions energy: -609.668 where: short stacking energy: -285.539 Base-Backbone interact. energy: -1.782 local terms energy: -337.186939 where: bonds (distance) C4'-P energy: -80.206 bonds (distance) P-C4' energy: -87.594 flat angles C4'-P-C4' energy: -74.448 flat angles P-C4'-P energy: -51.045 tors. eta vs tors. theta energy: -43.895 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: 387 Temperature: 1.350000 Total energy: -695.888253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.888253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.888253 (E_RNA) where: Base-Base interactions energy: -385.520 where: short stacking energy: -188.479 Base-Backbone interact. energy: -0.233 local terms energy: -310.135440 where: bonds (distance) C4'-P energy: -80.585 bonds (distance) P-C4' energy: -82.968 flat angles C4'-P-C4' energy: -79.467 flat angles P-C4'-P energy: -49.344 tors. eta vs tors. theta energy: -17.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1879.336098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.336098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.336098 (E_RNA) where: Base-Base interactions energy: -1338.074 where: short stacking energy: -561.089 Base-Backbone interact. energy: -1.760 local terms energy: -539.502462 where: bonds (distance) C4'-P energy: -95.120 bonds (distance) P-C4' energy: -99.926 flat angles C4'-P-C4' energy: -113.264 flat angles P-C4'-P energy: -75.635 tors. eta vs tors. theta energy: -155.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1776.068667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.068667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.068667 (E_RNA) where: Base-Base interactions energy: -1235.208 where: short stacking energy: -532.911 Base-Backbone interact. energy: -2.166 local terms energy: -538.695230 where: bonds (distance) C4'-P energy: -99.071 bonds (distance) P-C4' energy: -94.372 flat angles C4'-P-C4' energy: -109.665 flat angles P-C4'-P energy: -81.477 tors. eta vs tors. theta energy: -154.110 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: 388 Temperature: 1.000000 Total energy: -1745.007949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.007949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.007949 (E_RNA) where: Base-Base interactions energy: -1218.198 where: short stacking energy: -530.917 Base-Backbone interact. energy: -1.796 local terms energy: -525.013751 where: bonds (distance) C4'-P energy: -88.386 bonds (distance) P-C4' energy: -94.081 flat angles C4'-P-C4' energy: -112.213 flat angles P-C4'-P energy: -78.682 tors. eta vs tors. theta energy: -151.651 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: 3 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -1609.497222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.497222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.497222 (E_RNA) where: Base-Base interactions energy: -1136.754 where: short stacking energy: -476.234 Base-Backbone interact. energy: -2.254 local terms energy: -470.489161 where: bonds (distance) C4'-P energy: -80.924 bonds (distance) P-C4' energy: -91.573 flat angles C4'-P-C4' energy: -101.932 flat angles P-C4'-P energy: -64.220 tors. eta vs tors. theta energy: -131.840 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: 388 Temperature: 1.100000 Total energy: -1396.783209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.783209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.783209 (E_RNA) where: Base-Base interactions energy: -968.320 where: short stacking energy: -405.469 Base-Backbone interact. energy: -2.507 local terms energy: -425.956185 where: bonds (distance) C4'-P energy: -84.288 bonds (distance) P-C4' energy: -92.381 flat angles C4'-P-C4' energy: -101.619 flat angles P-C4'-P energy: -59.541 tors. eta vs tors. theta energy: -88.127 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: 388 Temperature: 1.150000 Total energy: -1335.988379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.988379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.988379 (E_RNA) where: Base-Base interactions energy: -930.431 where: short stacking energy: -418.580 Base-Backbone interact. energy: 0.476 local terms energy: -406.033484 where: bonds (distance) C4'-P energy: -74.190 bonds (distance) P-C4' energy: -73.385 flat angles C4'-P-C4' energy: -96.824 flat angles P-C4'-P energy: -61.761 tors. eta vs tors. theta energy: -99.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -1317.069551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.069551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.069551 (E_RNA) where: Base-Base interactions energy: -927.154 where: short stacking energy: -414.287 Base-Backbone interact. energy: 1.266 local terms energy: -391.181415 where: bonds (distance) C4'-P energy: -72.797 bonds (distance) P-C4' energy: -81.916 flat angles C4'-P-C4' energy: -79.442 flat angles P-C4'-P energy: -56.101 tors. eta vs tors. theta energy: -100.925 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: 4 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -1184.585634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.585634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.585634 (E_RNA) where: Base-Base interactions energy: -796.267 where: short stacking energy: -354.792 Base-Backbone interact. energy: -2.341 local terms energy: -385.977976 where: bonds (distance) C4'-P energy: -83.501 bonds (distance) P-C4' energy: -80.184 flat angles C4'-P-C4' energy: -71.165 flat angles P-C4'-P energy: -62.011 tors. eta vs tors. theta energy: -89.118 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: 2 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -941.989461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.989461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.989461 (E_RNA) where: Base-Base interactions energy: -613.739 where: short stacking energy: -273.015 Base-Backbone interact. energy: -2.509 local terms energy: -325.742020 where: bonds (distance) C4'-P energy: -81.663 bonds (distance) P-C4' energy: -72.785 flat angles C4'-P-C4' energy: -75.001 flat angles P-C4'-P energy: -51.192 tors. eta vs tors. theta energy: -45.101 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: 10, replica: 10 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -719.233567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.233567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.233567 (E_RNA) where: Base-Base interactions energy: -412.860 where: short stacking energy: -193.845 Base-Backbone interact. energy: 2.340 local terms energy: -308.713689 where: bonds (distance) C4'-P energy: -72.349 bonds (distance) P-C4' energy: -94.914 flat angles C4'-P-C4' energy: -79.815 flat angles P-C4'-P energy: -50.441 tors. eta vs tors. theta energy: -11.195 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: 6 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1869.952419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.952419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.952419 (E_RNA) where: Base-Base interactions energy: -1317.498 where: short stacking energy: -547.267 Base-Backbone interact. energy: -1.371 local terms energy: -551.083141 where: bonds (distance) C4'-P energy: -97.265 bonds (distance) P-C4' energy: -107.648 flat angles C4'-P-C4' energy: -115.277 flat angles P-C4'-P energy: -75.515 tors. eta vs tors. theta energy: -155.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1766.476987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.476987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.476987 (E_RNA) where: Base-Base interactions energy: -1246.634 where: short stacking energy: -537.697 Base-Backbone interact. energy: -1.680 local terms energy: -518.162657 where: bonds (distance) C4'-P energy: -83.618 bonds (distance) P-C4' energy: -91.379 flat angles C4'-P-C4' energy: -122.190 flat angles P-C4'-P energy: -69.239 tors. eta vs tors. theta energy: -151.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1749.724141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.724141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.724141 (E_RNA) where: Base-Base interactions energy: -1228.673 where: short stacking energy: -509.797 Base-Backbone interact. energy: -1.916 local terms energy: -519.135013 where: bonds (distance) C4'-P energy: -90.214 bonds (distance) P-C4' energy: -109.105 flat angles C4'-P-C4' energy: -104.230 flat angles P-C4'-P energy: -65.534 tors. eta vs tors. theta energy: -150.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1624.569783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1624.569783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1624.569783 (E_RNA) where: Base-Base interactions energy: -1141.944 where: short stacking energy: -484.681 Base-Backbone interact. energy: 4.393 local terms energy: -487.018401 where: bonds (distance) C4'-P energy: -83.864 bonds (distance) P-C4' energy: -80.707 flat angles C4'-P-C4' energy: -108.430 flat angles P-C4'-P energy: -69.327 tors. eta vs tors. theta energy: -144.691 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: 389 Temperature: 1.100000 Total energy: -1422.513307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.513307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.513307 (E_RNA) where: Base-Base interactions energy: -994.067 where: short stacking energy: -418.080 Base-Backbone interact. energy: -3.247 local terms energy: -425.198991 where: bonds (distance) C4'-P energy: -84.296 bonds (distance) P-C4' energy: -80.060 flat angles C4'-P-C4' energy: -110.384 flat angles P-C4'-P energy: -52.570 tors. eta vs tors. theta energy: -97.889 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: 9 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -1334.319059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.319059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.319059 (E_RNA) where: Base-Base interactions energy: -919.593 where: short stacking energy: -411.689 Base-Backbone interact. energy: 0.348 local terms energy: -415.074394 where: bonds (distance) C4'-P energy: -74.971 bonds (distance) P-C4' energy: -92.829 flat angles C4'-P-C4' energy: -100.349 flat angles P-C4'-P energy: -43.253 tors. eta vs tors. theta energy: -103.673 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: 1 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -1281.887780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.887780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.887780 (E_RNA) where: Base-Base interactions energy: -867.004 where: short stacking energy: -375.431 Base-Backbone interact. energy: -0.843 local terms energy: -414.040221 where: bonds (distance) C4'-P energy: -67.003 bonds (distance) P-C4' energy: -88.053 flat angles C4'-P-C4' energy: -95.298 flat angles P-C4'-P energy: -64.384 tors. eta vs tors. theta energy: -99.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -1179.338658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.338658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.338658 (E_RNA) where: Base-Base interactions energy: -750.743 where: short stacking energy: -339.757 Base-Backbone interact. energy: -0.355 local terms energy: -428.240742 where: bonds (distance) C4'-P energy: -84.635 bonds (distance) P-C4' energy: -94.197 flat angles C4'-P-C4' energy: -107.071 flat angles P-C4'-P energy: -66.943 tors. eta vs tors. theta energy: -75.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -893.401128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.401128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.401128 (E_RNA) where: Base-Base interactions energy: -576.868 where: short stacking energy: -237.812 Base-Backbone interact. energy: -2.041 local terms energy: -314.491720 where: bonds (distance) C4'-P energy: -78.244 bonds (distance) P-C4' energy: -89.068 flat angles C4'-P-C4' energy: -66.214 flat angles P-C4'-P energy: -48.169 tors. eta vs tors. theta energy: -32.797 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: 10, replica: 10 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -727.065237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.065237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.065237 (E_RNA) where: Base-Base interactions energy: -414.623 where: short stacking energy: -208.122 Base-Backbone interact. energy: -0.258 local terms energy: -312.184006 where: bonds (distance) C4'-P energy: -77.038 bonds (distance) P-C4' energy: -77.908 flat angles C4'-P-C4' energy: -69.285 flat angles P-C4'-P energy: -59.327 tors. eta vs tors. theta energy: -28.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1890.354543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1890.354543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1890.354543 (E_RNA) where: Base-Base interactions energy: -1341.650 where: short stacking energy: -548.783 Base-Backbone interact. energy: -2.465 local terms energy: -546.239131 where: bonds (distance) C4'-P energy: -104.326 bonds (distance) P-C4' energy: -96.002 flat angles C4'-P-C4' energy: -119.228 flat angles P-C4'-P energy: -78.542 tors. eta vs tors. theta energy: -148.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1763.917935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.917935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.917935 (E_RNA) where: Base-Base interactions energy: -1234.410 where: short stacking energy: -529.062 Base-Backbone interact. energy: 0.586 local terms energy: -530.094545 where: bonds (distance) C4'-P energy: -89.269 bonds (distance) P-C4' energy: -105.376 flat angles C4'-P-C4' energy: -109.408 flat angles P-C4'-P energy: -72.781 tors. eta vs tors. theta energy: -153.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1723.620547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1723.620547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1723.620547 (E_RNA) where: Base-Base interactions energy: -1193.511 where: short stacking energy: -521.910 Base-Backbone interact. energy: -0.999 local terms energy: -529.109860 where: bonds (distance) C4'-P energy: -87.918 bonds (distance) P-C4' energy: -94.997 flat angles C4'-P-C4' energy: -111.009 flat angles P-C4'-P energy: -77.387 tors. eta vs tors. theta energy: -157.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1602.797576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1602.797576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1602.797576 (E_RNA) where: Base-Base interactions energy: -1097.573 where: short stacking energy: -462.257 Base-Backbone interact. energy: -2.405 local terms energy: -502.819428 where: bonds (distance) C4'-P energy: -100.477 bonds (distance) P-C4' energy: -103.284 flat angles C4'-P-C4' energy: -102.351 flat angles P-C4'-P energy: -63.674 tors. eta vs tors. theta energy: -133.033 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: 7 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -1449.341458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1449.341458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1449.341458 (E_RNA) where: Base-Base interactions energy: -1002.240 where: short stacking energy: -418.349 Base-Backbone interact. energy: 0.552 local terms energy: -447.654171 where: bonds (distance) C4'-P energy: -91.915 bonds (distance) P-C4' energy: -83.194 flat angles C4'-P-C4' energy: -102.670 flat angles P-C4'-P energy: -70.143 tors. eta vs tors. theta energy: -99.732 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: 9 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -1365.862960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1365.862960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1365.862960 (E_RNA) where: Base-Base interactions energy: -918.691 where: short stacking energy: -409.294 Base-Backbone interact. energy: -2.307 local terms energy: -444.864804 where: bonds (distance) C4'-P energy: -85.719 bonds (distance) P-C4' energy: -84.707 flat angles C4'-P-C4' energy: -100.458 flat angles P-C4'-P energy: -60.730 tors. eta vs tors. theta energy: -113.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -1319.256731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.256731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.256731 (E_RNA) where: Base-Base interactions energy: -908.068 where: short stacking energy: -379.740 Base-Backbone interact. energy: -2.284 local terms energy: -408.904772 where: bonds (distance) C4'-P energy: -85.018 bonds (distance) P-C4' energy: -79.351 flat angles C4'-P-C4' energy: -93.522 flat angles P-C4'-P energy: -54.928 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: 8, replica: 4 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -1196.320786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1196.320786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1196.320786 (E_RNA) where: Base-Base interactions energy: -798.574 where: short stacking energy: -354.578 Base-Backbone interact. energy: -1.667 local terms energy: -396.080470 where: bonds (distance) C4'-P energy: -75.264 bonds (distance) P-C4' energy: -87.386 flat angles C4'-P-C4' energy: -97.263 flat angles P-C4'-P energy: -44.313 tors. eta vs tors. theta energy: -91.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -919.607261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.607261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.607261 (E_RNA) where: Base-Base interactions energy: -606.184 where: short stacking energy: -269.534 Base-Backbone interact. energy: -0.854 local terms energy: -312.569638 where: bonds (distance) C4'-P energy: -70.096 bonds (distance) P-C4' energy: -81.245 flat angles C4'-P-C4' energy: -82.821 flat angles P-C4'-P energy: -37.939 tors. eta vs tors. theta energy: -40.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -712.280325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.280325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.280325 (E_RNA) where: Base-Base interactions energy: -408.301 where: short stacking energy: -197.875 Base-Backbone interact. energy: 1.887 local terms energy: -305.866049 where: bonds (distance) C4'-P energy: -82.404 bonds (distance) P-C4' energy: -72.068 flat angles C4'-P-C4' energy: -93.576 flat angles P-C4'-P energy: -44.741 tors. eta vs tors. theta energy: -13.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1882.095779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.095779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.095779 (E_RNA) where: Base-Base interactions energy: -1330.270 where: short stacking energy: -533.280 Base-Backbone interact. energy: -1.584 local terms energy: -550.241413 where: bonds (distance) C4'-P energy: -105.501 bonds (distance) P-C4' energy: -96.110 flat angles C4'-P-C4' energy: -113.748 flat angles P-C4'-P energy: -85.772 tors. eta vs tors. theta energy: -149.110 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: 5 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1784.738212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.738212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.738212 (E_RNA) where: Base-Base interactions energy: -1251.051 where: short stacking energy: -550.674 Base-Backbone interact. energy: -0.563 local terms energy: -533.123901 where: bonds (distance) C4'-P energy: -102.891 bonds (distance) P-C4' energy: -102.727 flat angles C4'-P-C4' energy: -109.613 flat angles P-C4'-P energy: -66.936 tors. eta vs tors. theta energy: -150.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1731.844900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.844900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.844900 (E_RNA) where: Base-Base interactions energy: -1212.070 where: short stacking energy: -502.999 Base-Backbone interact. energy: -2.252 local terms energy: -517.523044 where: bonds (distance) C4'-P energy: -95.082 bonds (distance) P-C4' energy: -84.298 flat angles C4'-P-C4' energy: -111.869 flat angles P-C4'-P energy: -81.467 tors. eta vs tors. theta energy: -144.806 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: 3 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -1622.794778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.794778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.794778 (E_RNA) where: Base-Base interactions energy: -1115.551 where: short stacking energy: -476.511 Base-Backbone interact. energy: 1.415 local terms energy: -508.659111 where: bonds (distance) C4'-P energy: -104.468 bonds (distance) P-C4' energy: -90.461 flat angles C4'-P-C4' energy: -104.935 flat angles P-C4'-P energy: -70.764 tors. eta vs tors. theta energy: -138.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -1467.393420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1467.393420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1467.393420 (E_RNA) where: Base-Base interactions energy: -1017.167 where: short stacking energy: -433.701 Base-Backbone interact. energy: 5.835 local terms energy: -456.061953 where: bonds (distance) C4'-P energy: -91.547 bonds (distance) P-C4' energy: -91.126 flat angles C4'-P-C4' energy: -100.329 flat angles P-C4'-P energy: -68.026 tors. eta vs tors. theta energy: -105.034 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: 391 Temperature: 1.150000 Total energy: -1396.686264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1396.686264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1396.686264 (E_RNA) where: Base-Base interactions energy: -955.713 where: short stacking energy: -418.159 Base-Backbone interact. energy: -2.945 local terms energy: -438.028293 where: bonds (distance) C4'-P energy: -80.927 bonds (distance) P-C4' energy: -88.497 flat angles C4'-P-C4' energy: -93.240 flat angles P-C4'-P energy: -65.058 tors. eta vs tors. theta energy: -110.306 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: 7, replica: 1 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -1297.574630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.574630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.574630 (E_RNA) where: Base-Base interactions energy: -873.096 where: short stacking energy: -372.019 Base-Backbone interact. energy: -3.145 local terms energy: -421.333477 where: bonds (distance) C4'-P energy: -80.167 bonds (distance) P-C4' energy: -89.894 flat angles C4'-P-C4' energy: -91.640 flat angles P-C4'-P energy: -70.618 tors. eta vs tors. theta energy: -89.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -1228.960541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.960541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.960541 (E_RNA) where: Base-Base interactions energy: -838.714 where: short stacking energy: -364.719 Base-Backbone interact. energy: 0.486 local terms energy: -390.733399 where: bonds (distance) C4'-P energy: -75.730 bonds (distance) P-C4' energy: -72.359 flat angles C4'-P-C4' energy: -91.813 flat angles P-C4'-P energy: -58.585 tors. eta vs tors. theta energy: -92.246 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: 9, replica: 2 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -883.800971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.800971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.800971 (E_RNA) where: Base-Base interactions energy: -550.892 where: short stacking energy: -269.230 Base-Backbone interact. energy: -0.740 local terms energy: -332.168640 where: bonds (distance) C4'-P energy: -79.260 bonds (distance) P-C4' energy: -83.757 flat angles C4'-P-C4' energy: -65.475 flat angles P-C4'-P energy: -57.776 tors. eta vs tors. theta energy: -45.901 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: 391 Temperature: 1.350000 Total energy: -676.896521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.896521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.896521 (E_RNA) where: Base-Base interactions energy: -383.670 where: short stacking energy: -192.056 Base-Backbone interact. energy: 6.542 local terms energy: -299.767959 where: bonds (distance) C4'-P energy: -76.897 bonds (distance) P-C4' energy: -85.982 flat angles C4'-P-C4' energy: -77.588 flat angles P-C4'-P energy: -42.467 tors. eta vs tors. theta energy: -16.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1871.527804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.527804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.527804 (E_RNA) where: Base-Base interactions energy: -1344.546 where: short stacking energy: -560.460 Base-Backbone interact. energy: 4.338 local terms energy: -531.320601 where: bonds (distance) C4'-P energy: -88.573 bonds (distance) P-C4' energy: -100.592 flat angles C4'-P-C4' energy: -105.226 flat angles P-C4'-P energy: -80.423 tors. eta vs tors. theta energy: -156.506 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: 5 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1776.639287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.639287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.639287 (E_RNA) where: Base-Base interactions energy: -1263.512 where: short stacking energy: -542.967 Base-Backbone interact. energy: -3.265 local terms energy: -509.862888 where: bonds (distance) C4'-P energy: -86.412 bonds (distance) P-C4' energy: -90.166 flat angles C4'-P-C4' energy: -103.965 flat angles P-C4'-P energy: -76.296 tors. eta vs tors. theta energy: -153.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1718.242903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.242903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.242903 (E_RNA) where: Base-Base interactions energy: -1206.739 where: short stacking energy: -497.554 Base-Backbone interact. energy: -1.644 local terms energy: -509.860884 where: bonds (distance) C4'-P energy: -95.473 bonds (distance) P-C4' energy: -81.039 flat angles C4'-P-C4' energy: -105.174 flat angles P-C4'-P energy: -78.839 tors. eta vs tors. theta energy: -149.335 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: 4, replica: 3 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1623.819806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.819806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.819806 (E_RNA) where: Base-Base interactions energy: -1133.969 where: short stacking energy: -484.873 Base-Backbone interact. energy: -1.833 local terms energy: -488.017147 where: bonds (distance) C4'-P energy: -81.080 bonds (distance) P-C4' energy: -91.360 flat angles C4'-P-C4' energy: -103.333 flat angles P-C4'-P energy: -73.235 tors. eta vs tors. theta energy: -139.009 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: 9 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -1412.326130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.326130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.326130 (E_RNA) where: Base-Base interactions energy: -969.972 where: short stacking energy: -427.635 Base-Backbone interact. energy: 0.479 local terms energy: -442.833179 where: bonds (distance) C4'-P energy: -85.939 bonds (distance) P-C4' energy: -87.673 flat angles C4'-P-C4' energy: -99.829 flat angles P-C4'-P energy: -59.597 tors. eta vs tors. theta energy: -109.795 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: 392 Temperature: 1.150000 Total energy: -1403.603146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.603146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.603146 (E_RNA) where: Base-Base interactions energy: -958.590 where: short stacking energy: -393.164 Base-Backbone interact. energy: -1.571 local terms energy: -443.442240 where: bonds (distance) C4'-P energy: -93.800 bonds (distance) P-C4' energy: -92.245 flat angles C4'-P-C4' energy: -93.952 flat angles P-C4'-P energy: -61.914 tors. eta vs tors. theta energy: -101.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -1332.658451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.658451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.658451 (E_RNA) where: Base-Base interactions energy: -917.983 where: short stacking energy: -378.853 Base-Backbone interact. energy: -1.223 local terms energy: -413.451784 where: bonds (distance) C4'-P energy: -87.475 bonds (distance) P-C4' energy: -79.061 flat angles C4'-P-C4' energy: -88.281 flat angles P-C4'-P energy: -67.952 tors. eta vs tors. theta energy: -90.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -1197.461076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.461076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.461076 (E_RNA) where: Base-Base interactions energy: -822.351 where: short stacking energy: -356.995 Base-Backbone interact. energy: -2.325 local terms energy: -372.784681 where: bonds (distance) C4'-P energy: -82.478 bonds (distance) P-C4' energy: -88.195 flat angles C4'-P-C4' energy: -87.432 flat angles P-C4'-P energy: -40.715 tors. eta vs tors. theta energy: -73.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -900.175918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.175918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.175918 (E_RNA) where: Base-Base interactions energy: -589.509 where: short stacking energy: -262.846 Base-Backbone interact. energy: -3.346 local terms energy: -307.320748 where: bonds (distance) C4'-P energy: -70.307 bonds (distance) P-C4' energy: -63.172 flat angles C4'-P-C4' energy: -74.162 flat angles P-C4'-P energy: -58.335 tors. eta vs tors. theta energy: -41.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -700.616976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.616976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.616976 (E_RNA) where: Base-Base interactions energy: -385.675 where: short stacking energy: -201.443 Base-Backbone interact. energy: -2.148 local terms energy: -312.793952 where: bonds (distance) C4'-P energy: -84.916 bonds (distance) P-C4' energy: -86.326 flat angles C4'-P-C4' energy: -76.264 flat angles P-C4'-P energy: -40.225 tors. eta vs tors. theta energy: -25.063 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: 6 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1886.750435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.750435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.750435 (E_RNA) where: Base-Base interactions energy: -1351.046 where: short stacking energy: -561.057 Base-Backbone interact. energy: -1.536 local terms energy: -534.168242 where: bonds (distance) C4'-P energy: -93.597 bonds (distance) P-C4' energy: -100.247 flat angles C4'-P-C4' energy: -115.076 flat angles P-C4'-P energy: -72.072 tors. eta vs tors. theta energy: -153.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1805.144264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1805.144264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1805.144264 (E_RNA) where: Base-Base interactions energy: -1274.004 where: short stacking energy: -526.893 Base-Backbone interact. energy: -5.610 local terms energy: -525.530829 where: bonds (distance) C4'-P energy: -93.433 bonds (distance) P-C4' energy: -100.706 flat angles C4'-P-C4' energy: -104.013 flat angles P-C4'-P energy: -73.549 tors. eta vs tors. theta energy: -153.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1725.940687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.940687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.940687 (E_RNA) where: Base-Base interactions energy: -1197.756 where: short stacking energy: -485.614 Base-Backbone interact. energy: -1.867 local terms energy: -526.317775 where: bonds (distance) C4'-P energy: -96.122 bonds (distance) P-C4' energy: -89.463 flat angles C4'-P-C4' energy: -112.560 flat angles P-C4'-P energy: -75.759 tors. eta vs tors. theta energy: -152.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1606.480775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.480775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.480775 (E_RNA) where: Base-Base interactions energy: -1110.448 where: short stacking energy: -476.930 Base-Backbone interact. energy: 0.291 local terms energy: -496.324001 where: bonds (distance) C4'-P energy: -88.913 bonds (distance) P-C4' energy: -98.298 flat angles C4'-P-C4' energy: -90.991 flat angles P-C4'-P energy: -78.713 tors. eta vs tors. theta energy: -139.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -1445.061832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.061832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.061832 (E_RNA) where: Base-Base interactions energy: -988.378 where: short stacking energy: -456.503 Base-Backbone interact. energy: -0.927 local terms energy: -455.756045 where: bonds (distance) C4'-P energy: -81.279 bonds (distance) P-C4' energy: -91.505 flat angles C4'-P-C4' energy: -101.242 flat angles P-C4'-P energy: -59.168 tors. eta vs tors. theta energy: -122.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -1344.478514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.478514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.478514 (E_RNA) where: Base-Base interactions energy: -921.872 where: short stacking energy: -392.979 Base-Backbone interact. energy: -0.230 local terms energy: -422.376362 where: bonds (distance) C4'-P energy: -82.095 bonds (distance) P-C4' energy: -88.687 flat angles C4'-P-C4' energy: -93.857 flat angles P-C4'-P energy: -53.441 tors. eta vs tors. theta energy: -104.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -1305.877827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1305.877827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1305.877827 (E_RNA) where: Base-Base interactions energy: -900.056 where: short stacking energy: -378.994 Base-Backbone interact. energy: 0.190 local terms energy: -406.011588 where: bonds (distance) C4'-P energy: -79.242 bonds (distance) P-C4' energy: -88.576 flat angles C4'-P-C4' energy: -87.318 flat angles P-C4'-P energy: -57.468 tors. eta vs tors. theta energy: -93.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -1257.486768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1257.486768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1257.486768 (E_RNA) where: Base-Base interactions energy: -858.359 where: short stacking energy: -361.176 Base-Backbone interact. energy: -0.118 local terms energy: -399.009258 where: bonds (distance) C4'-P energy: -85.447 bonds (distance) P-C4' energy: -62.301 flat angles C4'-P-C4' energy: -98.800 flat angles P-C4'-P energy: -57.550 tors. eta vs tors. theta energy: -94.911 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: 2 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -888.128701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.128701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.128701 (E_RNA) where: Base-Base interactions energy: -542.900 where: short stacking energy: -261.317 Base-Backbone interact. energy: -0.702 local terms energy: -344.526620 where: bonds (distance) C4'-P energy: -73.348 bonds (distance) P-C4' energy: -88.870 flat angles C4'-P-C4' energy: -81.138 flat angles P-C4'-P energy: -55.497 tors. eta vs tors. theta energy: -45.673 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: 10, replica: 10 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -640.658567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.658567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.658567 (E_RNA) where: Base-Base interactions energy: -359.136 where: short stacking energy: -190.831 Base-Backbone interact. energy: -1.831 local terms energy: -279.692184 where: bonds (distance) C4'-P energy: -82.406 bonds (distance) P-C4' energy: -82.827 flat angles C4'-P-C4' energy: -62.218 flat angles P-C4'-P energy: -45.461 tors. eta vs tors. theta energy: -6.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1886.791388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.791388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.791388 (E_RNA) where: Base-Base interactions energy: -1349.110 where: short stacking energy: -553.329 Base-Backbone interact. energy: 4.011 local terms energy: -541.691794 where: bonds (distance) C4'-P energy: -100.879 bonds (distance) P-C4' energy: -104.902 flat angles C4'-P-C4' energy: -117.242 flat angles P-C4'-P energy: -67.444 tors. eta vs tors. theta energy: -151.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1767.630521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1767.630521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1767.630521 (E_RNA) where: Base-Base interactions energy: -1240.412 where: short stacking energy: -526.644 Base-Backbone interact. energy: 1.079 local terms energy: -528.297193 where: bonds (distance) C4'-P energy: -92.763 bonds (distance) P-C4' energy: -97.167 flat angles C4'-P-C4' energy: -110.318 flat angles P-C4'-P energy: -78.692 tors. eta vs tors. theta energy: -149.358 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: 8 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1691.263675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1691.263675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1691.263675 (E_RNA) where: Base-Base interactions energy: -1188.511 where: short stacking energy: -491.253 Base-Backbone interact. energy: -1.072 local terms energy: -501.680460 where: bonds (distance) C4'-P energy: -75.850 bonds (distance) P-C4' energy: -88.512 flat angles C4'-P-C4' energy: -109.734 flat angles P-C4'-P energy: -76.638 tors. eta vs tors. theta energy: -150.947 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: 4, replica: 3 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1610.539089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.539089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.539089 (E_RNA) where: Base-Base interactions energy: -1099.503 where: short stacking energy: -474.996 Base-Backbone interact. energy: -0.455 local terms energy: -510.581014 where: bonds (distance) C4'-P energy: -94.464 bonds (distance) P-C4' energy: -100.974 flat angles C4'-P-C4' energy: -108.864 flat angles P-C4'-P energy: -71.240 tors. eta vs tors. theta energy: -135.039 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: 5, replica: 9 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -1445.194715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1445.194715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1445.194715 (E_RNA) where: Base-Base interactions energy: -994.174 where: short stacking energy: -456.826 Base-Backbone interact. energy: -1.129 local terms energy: -449.890982 where: bonds (distance) C4'-P energy: -69.594 bonds (distance) P-C4' energy: -87.548 flat angles C4'-P-C4' energy: -103.551 flat angles P-C4'-P energy: -70.190 tors. eta vs tors. theta energy: -119.008 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: 6, replica: 1 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -1368.127583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.127583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.127583 (E_RNA) where: Base-Base interactions energy: -929.049 where: short stacking energy: -410.127 Base-Backbone interact. energy: -3.651 local terms energy: -435.427715 where: bonds (distance) C4'-P energy: -78.651 bonds (distance) P-C4' energy: -94.197 flat angles C4'-P-C4' energy: -93.311 flat angles P-C4'-P energy: -63.354 tors. eta vs tors. theta energy: -105.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -1270.044010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1270.044010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1270.044010 (E_RNA) where: Base-Base interactions energy: -864.698 where: short stacking energy: -376.029 Base-Backbone interact. energy: -1.298 local terms energy: -404.048483 where: bonds (distance) C4'-P energy: -75.972 bonds (distance) P-C4' energy: -80.792 flat angles C4'-P-C4' energy: -87.391 flat angles P-C4'-P energy: -64.140 tors. eta vs tors. theta energy: -95.753 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: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -1240.253694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.253694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.253694 (E_RNA) where: Base-Base interactions energy: -857.176 where: short stacking energy: -364.783 Base-Backbone interact. energy: -1.627 local terms energy: -381.450727 where: bonds (distance) C4'-P energy: -73.982 bonds (distance) P-C4' energy: -70.577 flat angles C4'-P-C4' energy: -89.419 flat angles P-C4'-P energy: -50.672 tors. eta vs tors. theta energy: -96.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -868.210179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.210179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.210179 (E_RNA) where: Base-Base interactions energy: -549.625 where: short stacking energy: -247.465 Base-Backbone interact. energy: -0.716 local terms energy: -317.868889 where: bonds (distance) C4'-P energy: -82.112 bonds (distance) P-C4' energy: -89.710 flat angles C4'-P-C4' energy: -83.180 flat angles P-C4'-P energy: -46.003 tors. eta vs tors. theta energy: -16.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -699.509253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.509253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.509253 (E_RNA) where: Base-Base interactions energy: -419.774 where: short stacking energy: -219.863 Base-Backbone interact. energy: -1.583 local terms energy: -278.152135 where: bonds (distance) C4'-P energy: -78.396 bonds (distance) P-C4' energy: -74.311 flat angles C4'-P-C4' energy: -59.377 flat angles P-C4'-P energy: -43.110 tors. eta vs tors. theta energy: -22.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1867.422929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.422929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.422929 (E_RNA) where: Base-Base interactions energy: -1324.193 where: short stacking energy: -542.514 Base-Backbone interact. energy: -4.073 local terms energy: -539.157195 where: bonds (distance) C4'-P energy: -87.161 bonds (distance) P-C4' energy: -100.852 flat angles C4'-P-C4' energy: -114.470 flat angles P-C4'-P energy: -80.829 tors. eta vs tors. theta energy: -155.846 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: 5 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1773.894379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.894379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.894379 (E_RNA) where: Base-Base interactions energy: -1240.620 where: short stacking energy: -536.176 Base-Backbone interact. energy: -1.662 local terms energy: -531.612069 where: bonds (distance) C4'-P energy: -88.899 bonds (distance) P-C4' energy: -99.926 flat angles C4'-P-C4' energy: -109.415 flat angles P-C4'-P energy: -82.063 tors. eta vs tors. theta energy: -151.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1725.214600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.214600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.214600 (E_RNA) where: Base-Base interactions energy: -1202.335 where: short stacking energy: -503.160 Base-Backbone interact. energy: -2.038 local terms energy: -520.842336 where: bonds (distance) C4'-P energy: -94.415 bonds (distance) P-C4' energy: -90.918 flat angles C4'-P-C4' energy: -105.540 flat angles P-C4'-P energy: -75.690 tors. eta vs tors. theta energy: -154.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1597.925487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.925487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.925487 (E_RNA) where: Base-Base interactions energy: -1106.311 where: short stacking energy: -479.470 Base-Backbone interact. energy: -0.773 local terms energy: -490.841535 where: bonds (distance) C4'-P energy: -90.739 bonds (distance) P-C4' energy: -93.212 flat angles C4'-P-C4' energy: -94.858 flat angles P-C4'-P energy: -69.177 tors. eta vs tors. theta energy: -142.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -1427.910164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1427.910164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1427.910164 (E_RNA) where: Base-Base interactions energy: -971.155 where: short stacking energy: -443.204 Base-Backbone interact. energy: 4.739 local terms energy: -461.494219 where: bonds (distance) C4'-P energy: -88.421 bonds (distance) P-C4' energy: -84.205 flat angles C4'-P-C4' energy: -109.277 flat angles P-C4'-P energy: -63.723 tors. eta vs tors. theta energy: -115.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -1400.360234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.360234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.360234 (E_RNA) where: Base-Base interactions energy: -959.701 where: short stacking energy: -402.615 Base-Backbone interact. energy: 3.602 local terms energy: -444.261475 where: bonds (distance) C4'-P energy: -89.336 bonds (distance) P-C4' energy: -95.558 flat angles C4'-P-C4' energy: -92.707 flat angles P-C4'-P energy: -63.814 tors. eta vs tors. theta energy: -102.846 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: 1 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -1259.251445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.251445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.251445 (E_RNA) where: Base-Base interactions energy: -849.522 where: short stacking energy: -378.524 Base-Backbone interact. energy: 1.262 local terms energy: -410.990992 where: bonds (distance) C4'-P energy: -87.833 bonds (distance) P-C4' energy: -81.398 flat angles C4'-P-C4' energy: -86.123 flat angles P-C4'-P energy: -64.966 tors. eta vs tors. theta energy: -90.671 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: 8, replica: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -1214.934579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.934579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.934579 (E_RNA) where: Base-Base interactions energy: -820.046 where: short stacking energy: -351.260 Base-Backbone interact. energy: 0.148 local terms energy: -395.036750 where: bonds (distance) C4'-P energy: -91.329 bonds (distance) P-C4' energy: -82.224 flat angles C4'-P-C4' energy: -83.126 flat angles P-C4'-P energy: -54.178 tors. eta vs tors. theta energy: -84.179 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: 2 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -853.590393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.590393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.590393 (E_RNA) where: Base-Base interactions energy: -551.580 where: short stacking energy: -253.139 Base-Backbone interact. energy: 5.711 local terms energy: -307.721627 where: bonds (distance) C4'-P energy: -77.172 bonds (distance) P-C4' energy: -73.899 flat angles C4'-P-C4' energy: -77.724 flat angles P-C4'-P energy: -47.059 tors. eta vs tors. theta energy: -31.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -713.276401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.276401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.276401 (E_RNA) where: Base-Base interactions energy: -396.490 where: short stacking energy: -216.235 Base-Backbone interact. energy: -1.436 local terms energy: -315.350453 where: bonds (distance) C4'-P energy: -84.379 bonds (distance) P-C4' energy: -78.992 flat angles C4'-P-C4' energy: -81.747 flat angles P-C4'-P energy: -51.138 tors. eta vs tors. theta energy: -19.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1881.397809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.397809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.397809 (E_RNA) where: Base-Base interactions energy: -1340.441 where: short stacking energy: -565.570 Base-Backbone interact. energy: -2.711 local terms energy: -538.245691 where: bonds (distance) C4'-P energy: -95.304 bonds (distance) P-C4' energy: -95.854 flat angles C4'-P-C4' energy: -108.620 flat angles P-C4'-P energy: -79.009 tors. eta vs tors. theta energy: -159.459 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: 2, replica: 5 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1764.337207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.337207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.337207 (E_RNA) where: Base-Base interactions energy: -1250.515 where: short stacking energy: -531.585 Base-Backbone interact. energy: -2.575 local terms energy: -511.246976 where: bonds (distance) C4'-P energy: -87.097 bonds (distance) P-C4' energy: -100.145 flat angles C4'-P-C4' energy: -101.936 flat angles P-C4'-P energy: -73.684 tors. eta vs tors. theta energy: -148.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1710.954150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.954150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.954150 (E_RNA) where: Base-Base interactions energy: -1207.029 where: short stacking energy: -519.789 Base-Backbone interact. energy: -1.041 local terms energy: -502.884771 where: bonds (distance) C4'-P energy: -93.855 bonds (distance) P-C4' energy: -101.924 flat angles C4'-P-C4' energy: -91.436 flat angles P-C4'-P energy: -55.760 tors. eta vs tors. theta energy: -159.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1614.720149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.720149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.720149 (E_RNA) where: Base-Base interactions energy: -1132.815 where: short stacking energy: -481.983 Base-Backbone interact. energy: -4.660 local terms energy: -477.245306 where: bonds (distance) C4'-P energy: -78.385 bonds (distance) P-C4' energy: -81.079 flat angles C4'-P-C4' energy: -107.257 flat angles P-C4'-P energy: -63.775 tors. eta vs tors. theta energy: -146.750 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: 5, replica: 7 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -1472.031561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1472.031561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1472.031561 (E_RNA) where: Base-Base interactions energy: -1020.702 where: short stacking energy: -410.560 Base-Backbone interact. energy: -1.471 local terms energy: -449.858340 where: bonds (distance) C4'-P energy: -93.934 bonds (distance) P-C4' energy: -80.758 flat angles C4'-P-C4' energy: -106.126 flat angles P-C4'-P energy: -55.663 tors. eta vs tors. theta energy: -113.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -1428.117083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.117083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.117083 (E_RNA) where: Base-Base interactions energy: -986.572 where: short stacking energy: -427.208 Base-Backbone interact. energy: -0.767 local terms energy: -440.778748 where: bonds (distance) C4'-P energy: -77.280 bonds (distance) P-C4' energy: -91.244 flat angles C4'-P-C4' energy: -99.924 flat angles P-C4'-P energy: -57.130 tors. eta vs tors. theta energy: -115.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -1284.846936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.846936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.846936 (E_RNA) where: Base-Base interactions energy: -871.393 where: short stacking energy: -403.172 Base-Backbone interact. energy: -1.041 local terms energy: -412.413192 where: bonds (distance) C4'-P energy: -82.533 bonds (distance) P-C4' energy: -79.877 flat angles C4'-P-C4' energy: -92.424 flat angles P-C4'-P energy: -50.548 tors. eta vs tors. theta energy: -107.031 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: 8, replica: 1 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -1228.439214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.439214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.439214 (E_RNA) where: Base-Base interactions energy: -834.122 where: short stacking energy: -358.852 Base-Backbone interact. energy: -0.795 local terms energy: -393.522498 where: bonds (distance) C4'-P energy: -71.662 bonds (distance) P-C4' energy: -80.264 flat angles C4'-P-C4' energy: -95.502 flat angles P-C4'-P energy: -51.000 tors. eta vs tors. theta energy: -95.095 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: 2 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -851.980507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.980507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.980507 (E_RNA) where: Base-Base interactions energy: -510.735 where: short stacking energy: -237.505 Base-Backbone interact. energy: -2.155 local terms energy: -339.089983 where: bonds (distance) C4'-P energy: -77.931 bonds (distance) P-C4' energy: -95.132 flat angles C4'-P-C4' energy: -75.553 flat angles P-C4'-P energy: -58.992 tors. eta vs tors. theta energy: -31.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -717.414388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.414388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.414388 (E_RNA) where: Base-Base interactions energy: -444.243 where: short stacking energy: -224.700 Base-Backbone interact. energy: -1.468 local terms energy: -271.703620 where: bonds (distance) C4'-P energy: -71.878 bonds (distance) P-C4' energy: -63.986 flat angles C4'-P-C4' energy: -75.630 flat angles P-C4'-P energy: -46.517 tors. eta vs tors. theta energy: -13.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1899.654518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.654518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.654518 (E_RNA) where: Base-Base interactions energy: -1356.608 where: short stacking energy: -573.473 Base-Backbone interact. energy: -1.995 local terms energy: -541.051801 where: bonds (distance) C4'-P energy: -86.731 bonds (distance) P-C4' energy: -100.851 flat angles C4'-P-C4' energy: -113.660 flat angles P-C4'-P energy: -75.474 tors. eta vs tors. theta energy: -164.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1777.447360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.447360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.447360 (E_RNA) where: Base-Base interactions energy: -1272.163 where: short stacking energy: -527.337 Base-Backbone interact. energy: -1.237 local terms energy: -504.047041 where: bonds (distance) C4'-P energy: -90.404 bonds (distance) P-C4' energy: -92.094 flat angles C4'-P-C4' energy: -105.773 flat angles P-C4'-P energy: -68.880 tors. eta vs tors. theta energy: -146.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1749.253291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1749.253291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1749.253291 (E_RNA) where: Base-Base interactions energy: -1211.118 where: short stacking energy: -531.842 Base-Backbone interact. energy: -0.536 local terms energy: -537.599966 where: bonds (distance) C4'-P energy: -92.549 bonds (distance) P-C4' energy: -99.569 flat angles C4'-P-C4' energy: -113.216 flat angles P-C4'-P energy: -71.788 tors. eta vs tors. theta energy: -160.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1623.973016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.973016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.973016 (E_RNA) where: Base-Base interactions energy: -1124.799 where: short stacking energy: -478.005 Base-Backbone interact. energy: 0.620 local terms energy: -499.794574 where: bonds (distance) C4'-P energy: -96.242 bonds (distance) P-C4' energy: -88.592 flat angles C4'-P-C4' energy: -98.060 flat angles P-C4'-P energy: -75.539 tors. eta vs tors. theta energy: -141.362 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: 7 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -1451.556047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1451.556047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1451.556047 (E_RNA) where: Base-Base interactions energy: -1034.614 where: short stacking energy: -436.042 Base-Backbone interact. energy: -0.044 local terms energy: -416.897605 where: bonds (distance) C4'-P energy: -78.694 bonds (distance) P-C4' energy: -87.873 flat angles C4'-P-C4' energy: -82.096 flat angles P-C4'-P energy: -63.543 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: 6, replica: 9 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -1390.729287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.729287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.729287 (E_RNA) where: Base-Base interactions energy: -952.242 where: short stacking energy: -427.532 Base-Backbone interact. energy: -1.317 local terms energy: -437.170453 where: bonds (distance) C4'-P energy: -87.968 bonds (distance) P-C4' energy: -90.198 flat angles C4'-P-C4' energy: -84.296 flat angles P-C4'-P energy: -63.655 tors. eta vs tors. theta energy: -111.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -1276.756522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.756522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.756522 (E_RNA) where: Base-Base interactions energy: -849.131 where: short stacking energy: -387.400 Base-Backbone interact. energy: 0.042 local terms energy: -427.667718 where: bonds (distance) C4'-P energy: -89.562 bonds (distance) P-C4' energy: -77.323 flat angles C4'-P-C4' energy: -95.967 flat angles P-C4'-P energy: -63.064 tors. eta vs tors. theta energy: -101.753 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: 1 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -1226.975563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1226.975563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1226.975563 (E_RNA) where: Base-Base interactions energy: -845.158 where: short stacking energy: -368.046 Base-Backbone interact. energy: -0.322 local terms energy: -381.495757 where: bonds (distance) C4'-P energy: -70.602 bonds (distance) P-C4' energy: -89.133 flat angles C4'-P-C4' energy: -80.156 flat angles P-C4'-P energy: -59.936 tors. eta vs tors. theta energy: -81.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -841.425781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.425781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.425781 (E_RNA) where: Base-Base interactions energy: -525.412 where: short stacking energy: -232.249 Base-Backbone interact. energy: 1.696 local terms energy: -317.710236 where: bonds (distance) C4'-P energy: -78.072 bonds (distance) P-C4' energy: -90.748 flat angles C4'-P-C4' energy: -85.219 flat angles P-C4'-P energy: -45.082 tors. eta vs tors. theta energy: -18.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -789.836328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.836328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.836328 (E_RNA) where: Base-Base interactions energy: -469.986 where: short stacking energy: -240.193 Base-Backbone interact. energy: -2.207 local terms energy: -317.642938 where: bonds (distance) C4'-P energy: -79.797 bonds (distance) P-C4' energy: -84.843 flat angles C4'-P-C4' energy: -65.900 flat angles P-C4'-P energy: -39.278 tors. eta vs tors. theta energy: -47.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1880.095159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.095159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.095159 (E_RNA) where: Base-Base interactions energy: -1349.762 where: short stacking energy: -578.000 Base-Backbone interact. energy: -0.676 local terms energy: -529.657380 where: bonds (distance) C4'-P energy: -98.448 bonds (distance) P-C4' energy: -90.014 flat angles C4'-P-C4' energy: -116.808 flat angles P-C4'-P energy: -69.164 tors. eta vs tors. theta energy: -155.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1776.732615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.732615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.732615 (E_RNA) where: Base-Base interactions energy: -1253.058 where: short stacking energy: -541.907 Base-Backbone interact. energy: -2.965 local terms energy: -520.710080 where: bonds (distance) C4'-P energy: -102.379 bonds (distance) P-C4' energy: -94.300 flat angles C4'-P-C4' energy: -108.787 flat angles P-C4'-P energy: -69.838 tors. eta vs tors. theta energy: -145.406 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: 3, replica: 8 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1714.553470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.553470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.553470 (E_RNA) where: Base-Base interactions energy: -1206.275 where: short stacking energy: -510.451 Base-Backbone interact. energy: -3.372 local terms energy: -504.906401 where: bonds (distance) C4'-P energy: -84.900 bonds (distance) P-C4' energy: -82.605 flat angles C4'-P-C4' energy: -108.711 flat angles P-C4'-P energy: -72.946 tors. eta vs tors. theta energy: -155.744 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: 398 Temperature: 1.050000 Total energy: -1617.691371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.691371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.691371 (E_RNA) where: Base-Base interactions energy: -1145.806 where: short stacking energy: -457.118 Base-Backbone interact. energy: 0.841 local terms energy: -472.726594 where: bonds (distance) C4'-P energy: -89.150 bonds (distance) P-C4' energy: -94.987 flat angles C4'-P-C4' energy: -101.936 flat angles P-C4'-P energy: -63.015 tors. eta vs tors. theta energy: -123.639 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: 5, replica: 7 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -1490.977173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.977173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.977173 (E_RNA) where: Base-Base interactions energy: -1050.297 where: short stacking energy: -447.176 Base-Backbone interact. energy: -1.261 local terms energy: -439.419803 where: bonds (distance) C4'-P energy: -78.279 bonds (distance) P-C4' energy: -90.541 flat angles C4'-P-C4' energy: -88.048 flat angles P-C4'-P energy: -68.279 tors. eta vs tors. theta energy: -114.272 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: 6, replica: 9 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -1392.329530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.329530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.329530 (E_RNA) where: Base-Base interactions energy: -944.218 where: short stacking energy: -397.990 Base-Backbone interact. energy: -1.523 local terms energy: -446.588856 where: bonds (distance) C4'-P energy: -79.587 bonds (distance) P-C4' energy: -95.377 flat angles C4'-P-C4' energy: -92.015 flat angles P-C4'-P energy: -71.506 tors. eta vs tors. theta energy: -108.103 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: 1 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -1284.996496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1284.996496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1284.996496 (E_RNA) where: Base-Base interactions energy: -862.346 where: short stacking energy: -370.516 Base-Backbone interact. energy: -2.456 local terms energy: -420.194666 where: bonds (distance) C4'-P energy: -91.477 bonds (distance) P-C4' energy: -80.810 flat angles C4'-P-C4' energy: -83.741 flat angles P-C4'-P energy: -66.015 tors. eta vs tors. theta energy: -98.152 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: 4 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -1234.873545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1234.873545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1234.873545 (E_RNA) where: Base-Base interactions energy: -829.684 where: short stacking energy: -351.633 Base-Backbone interact. energy: -0.379 local terms energy: -404.810337 where: bonds (distance) C4'-P energy: -87.060 bonds (distance) P-C4' energy: -94.540 flat angles C4'-P-C4' energy: -77.955 flat angles P-C4'-P energy: -50.621 tors. eta vs tors. theta energy: -94.634 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: 2 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -846.995127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.995127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.995127 (E_RNA) where: Base-Base interactions energy: -547.196 where: short stacking energy: -233.217 Base-Backbone interact. energy: 1.447 local terms energy: -301.246347 where: bonds (distance) C4'-P energy: -82.081 bonds (distance) P-C4' energy: -79.832 flat angles C4'-P-C4' energy: -75.678 flat angles P-C4'-P energy: -39.433 tors. eta vs tors. theta energy: -24.223 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: 10, replica: 10 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -760.377889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.377889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.377889 (E_RNA) where: Base-Base interactions energy: -452.510 where: short stacking energy: -216.228 Base-Backbone interact. energy: 1.866 local terms energy: -309.734403 where: bonds (distance) C4'-P energy: -82.963 bonds (distance) P-C4' energy: -88.461 flat angles C4'-P-C4' energy: -72.210 flat angles P-C4'-P energy: -44.471 tors. eta vs tors. theta energy: -21.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1887.199581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.199581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.199581 (E_RNA) where: Base-Base interactions energy: -1350.524 where: short stacking energy: -573.849 Base-Backbone interact. energy: -1.288 local terms energy: -535.387984 where: bonds (distance) C4'-P energy: -92.304 bonds (distance) P-C4' energy: -90.545 flat angles C4'-P-C4' energy: -121.187 flat angles P-C4'-P energy: -69.798 tors. eta vs tors. theta energy: -161.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1764.537393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.537393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.537393 (E_RNA) where: Base-Base interactions energy: -1219.882 where: short stacking energy: -519.905 Base-Backbone interact. energy: -0.037 local terms energy: -544.618291 where: bonds (distance) C4'-P energy: -97.549 bonds (distance) P-C4' energy: -107.075 flat angles C4'-P-C4' energy: -113.410 flat angles P-C4'-P energy: -73.247 tors. eta vs tors. theta energy: -153.338 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: 399 Temperature: 1.000000 Total energy: -1719.229530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.229530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.229530 (E_RNA) where: Base-Base interactions energy: -1209.239 where: short stacking energy: -506.690 Base-Backbone interact. energy: -2.664 local terms energy: -507.325834 where: bonds (distance) C4'-P energy: -84.881 bonds (distance) P-C4' energy: -90.098 flat angles C4'-P-C4' energy: -108.978 flat angles P-C4'-P energy: -79.301 tors. eta vs tors. theta energy: -144.069 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: 3 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1639.323994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.323994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.323994 (E_RNA) where: Base-Base interactions energy: -1146.945 where: short stacking energy: -486.848 Base-Backbone interact. energy: -2.010 local terms energy: -490.368457 where: bonds (distance) C4'-P energy: -83.530 bonds (distance) P-C4' energy: -96.268 flat angles C4'-P-C4' energy: -99.465 flat angles P-C4'-P energy: -68.798 tors. eta vs tors. theta energy: -142.307 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: 399 Temperature: 1.100000 Total energy: -1503.751384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1503.751384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1503.751384 (E_RNA) where: Base-Base interactions energy: -1066.456 where: short stacking energy: -437.993 Base-Backbone interact. energy: 0.756 local terms energy: -438.051239 where: bonds (distance) C4'-P energy: -62.678 bonds (distance) P-C4' energy: -98.824 flat angles C4'-P-C4' energy: -101.439 flat angles P-C4'-P energy: -57.214 tors. eta vs tors. theta energy: -117.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -1408.944669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1408.944669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1408.944669 (E_RNA) where: Base-Base interactions energy: -955.498 where: short stacking energy: -431.239 Base-Backbone interact. energy: -1.577 local terms energy: -451.869540 where: bonds (distance) C4'-P energy: -83.349 bonds (distance) P-C4' energy: -97.866 flat angles C4'-P-C4' energy: -98.121 flat angles P-C4'-P energy: -59.633 tors. eta vs tors. theta energy: -112.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -1299.639174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.639174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.639174 (E_RNA) where: Base-Base interactions energy: -861.010 where: short stacking energy: -380.059 Base-Backbone interact. energy: -1.104 local terms energy: -437.524884 where: bonds (distance) C4'-P energy: -96.071 bonds (distance) P-C4' energy: -73.788 flat angles C4'-P-C4' energy: -101.364 flat angles P-C4'-P energy: -68.943 tors. eta vs tors. theta energy: -97.359 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: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -1200.338780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1200.338780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1200.338780 (E_RNA) where: Base-Base interactions energy: -824.062 where: short stacking energy: -355.250 Base-Backbone interact. energy: -0.301 local terms energy: -375.975583 where: bonds (distance) C4'-P energy: -65.096 bonds (distance) P-C4' energy: -76.654 flat angles C4'-P-C4' energy: -93.995 flat angles P-C4'-P energy: -50.694 tors. eta vs tors. theta energy: -89.537 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: 2 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -900.348584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.348584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.348584 (E_RNA) where: Base-Base interactions energy: -562.250 where: short stacking energy: -279.245 Base-Backbone interact. energy: 0.144 local terms energy: -338.241947 where: bonds (distance) C4'-P energy: -87.676 bonds (distance) P-C4' energy: -81.282 flat angles C4'-P-C4' energy: -82.407 flat angles P-C4'-P energy: -49.817 tors. eta vs tors. theta energy: -37.060 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: 399 Temperature: 1.350000 Total energy: -726.254699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.254699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.254699 (E_RNA) where: Base-Base interactions energy: -405.419 where: short stacking energy: -212.465 Base-Backbone interact. energy: 1.976 local terms energy: -322.811678 where: bonds (distance) C4'-P energy: -80.952 bonds (distance) P-C4' energy: -95.170 flat angles C4'-P-C4' energy: -77.709 flat angles P-C4'-P energy: -45.780 tors. eta vs tors. theta energy: -23.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1893.802572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.802572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.802572 (E_RNA) where: Base-Base interactions energy: -1323.458 where: short stacking energy: -553.795 Base-Backbone interact. energy: -3.639 local terms energy: -566.704772 where: bonds (distance) C4'-P energy: -104.473 bonds (distance) P-C4' energy: -106.834 flat angles C4'-P-C4' energy: -112.796 flat angles P-C4'-P energy: -83.265 tors. eta vs tors. theta energy: -159.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1775.263305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.263305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.263305 (E_RNA) where: Base-Base interactions energy: -1251.100 where: short stacking energy: -518.623 Base-Backbone interact. energy: -1.689 local terms energy: -522.474217 where: bonds (distance) C4'-P energy: -98.231 bonds (distance) P-C4' energy: -98.526 flat angles C4'-P-C4' energy: -105.562 flat angles P-C4'-P energy: -72.340 tors. eta vs tors. theta energy: -147.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1729.937161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.937161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.937161 (E_RNA) where: Base-Base interactions energy: -1205.393 where: short stacking energy: -519.617 Base-Backbone interact. energy: -1.175 local terms energy: -523.369915 where: bonds (distance) C4'-P energy: -92.584 bonds (distance) P-C4' energy: -106.115 flat angles C4'-P-C4' energy: -110.384 flat angles P-C4'-P energy: -73.729 tors. eta vs tors. theta energy: -140.558 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: 3 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1600.098207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.098207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.098207 (E_RNA) where: Base-Base interactions energy: -1110.255 where: short stacking energy: -478.234 Base-Backbone interact. energy: -1.471 local terms energy: -488.372071 where: bonds (distance) C4'-P energy: -88.685 bonds (distance) P-C4' energy: -97.293 flat angles C4'-P-C4' energy: -97.449 flat angles P-C4'-P energy: -65.185 tors. eta vs tors. theta energy: -139.760 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: 400 Temperature: 1.100000 Total energy: -1489.094051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.094051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.094051 (E_RNA) where: Base-Base interactions energy: -1041.763 where: short stacking energy: -433.721 Base-Backbone interact. energy: -1.519 local terms energy: -445.812104 where: bonds (distance) C4'-P energy: -73.283 bonds (distance) P-C4' energy: -108.561 flat angles C4'-P-C4' energy: -93.926 flat angles P-C4'-P energy: -68.929 tors. eta vs tors. theta energy: -101.113 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: 9 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -1440.113103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1440.113103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1440.113103 (E_RNA) where: Base-Base interactions energy: -985.531 where: short stacking energy: -417.913 Base-Backbone interact. energy: -0.646 local terms energy: -453.936011 where: bonds (distance) C4'-P energy: -89.371 bonds (distance) P-C4' energy: -93.865 flat angles C4'-P-C4' energy: -100.709 flat angles P-C4'-P energy: -55.216 tors. eta vs tors. theta energy: -114.776 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: 1 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -1262.898335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.898335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.898335 (E_RNA) where: Base-Base interactions energy: -849.978 where: short stacking energy: -377.677 Base-Backbone interact. energy: 0.010 local terms energy: -412.929802 where: bonds (distance) C4'-P energy: -80.821 bonds (distance) P-C4' energy: -80.351 flat angles C4'-P-C4' energy: -89.393 flat angles P-C4'-P energy: -68.106 tors. eta vs tors. theta energy: -94.260 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: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -1190.727440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.727440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.727440 (E_RNA) where: Base-Base interactions energy: -805.279 where: short stacking energy: -341.109 Base-Backbone interact. energy: 3.823 local terms energy: -389.270644 where: bonds (distance) C4'-P energy: -73.305 bonds (distance) P-C4' energy: -88.765 flat angles C4'-P-C4' energy: -91.759 flat angles P-C4'-P energy: -45.932 tors. eta vs tors. theta energy: -89.509 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: 9, replica: 2 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -853.752527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.752527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.752527 (E_RNA) where: Base-Base interactions energy: -544.143 where: short stacking energy: -258.275 Base-Backbone interact. energy: -0.964 local terms energy: -308.645545 where: bonds (distance) C4'-P energy: -71.889 bonds (distance) P-C4' energy: -83.140 flat angles C4'-P-C4' energy: -76.538 flat angles P-C4'-P energy: -31.806 tors. eta vs tors. theta energy: -45.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -793.725020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.725020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.725020 (E_RNA) where: Base-Base interactions energy: -501.915 where: short stacking energy: -250.932 Base-Backbone interact. energy: -2.085 local terms energy: -289.725058 where: bonds (distance) C4'-P energy: -45.629 bonds (distance) P-C4' energy: -85.968 flat angles C4'-P-C4' energy: -65.475 flat angles P-C4'-P energy: -57.013 tors. eta vs tors. theta energy: -35.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1879.665066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.665066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.665066 (E_RNA) where: Base-Base interactions energy: -1314.607 where: short stacking energy: -556.619 Base-Backbone interact. energy: -1.338 local terms energy: -563.719552 where: bonds (distance) C4'-P energy: -94.940 bonds (distance) P-C4' energy: -111.245 flat angles C4'-P-C4' energy: -118.643 flat angles P-C4'-P energy: -77.876 tors. eta vs tors. theta energy: -161.016 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: 8 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1786.559521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1786.559521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1786.559521 (E_RNA) where: Base-Base interactions energy: -1238.118 where: short stacking energy: -540.325 Base-Backbone interact. energy: -1.353 local terms energy: -547.088546 where: bonds (distance) C4'-P energy: -103.284 bonds (distance) P-C4' energy: -105.213 flat angles C4'-P-C4' energy: -101.891 flat angles P-C4'-P energy: -76.497 tors. eta vs tors. theta energy: -160.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1729.575695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.575695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.575695 (E_RNA) where: Base-Base interactions energy: -1207.287 where: short stacking energy: -525.631 Base-Backbone interact. energy: 0.576 local terms energy: -522.865352 where: bonds (distance) C4'-P energy: -99.445 bonds (distance) P-C4' energy: -85.673 flat angles C4'-P-C4' energy: -109.299 flat angles P-C4'-P energy: -81.152 tors. eta vs tors. theta energy: -147.298 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: 4, replica: 3 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1591.334410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.334410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.334410 (E_RNA) where: Base-Base interactions energy: -1103.102 where: short stacking energy: -486.908 Base-Backbone interact. energy: -1.540 local terms energy: -486.692927 where: bonds (distance) C4'-P energy: -98.046 bonds (distance) P-C4' energy: -90.246 flat angles C4'-P-C4' energy: -100.673 flat angles P-C4'-P energy: -59.220 tors. eta vs tors. theta energy: -138.508 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: 7 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -1510.138326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.138326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.138326 (E_RNA) where: Base-Base interactions energy: -1089.385 where: short stacking energy: -439.387 Base-Backbone interact. energy: -0.030 local terms energy: -420.723611 where: bonds (distance) C4'-P energy: -65.400 bonds (distance) P-C4' energy: -69.386 flat angles C4'-P-C4' energy: -99.767 flat angles P-C4'-P energy: -75.743 tors. eta vs tors. theta energy: -110.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -1428.161783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1428.161783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1428.161783 (E_RNA) where: Base-Base interactions energy: -991.832 where: short stacking energy: -426.257 Base-Backbone interact. energy: 1.102 local terms energy: -437.432275 where: bonds (distance) C4'-P energy: -86.085 bonds (distance) P-C4' energy: -91.670 flat angles C4'-P-C4' energy: -91.366 flat angles P-C4'-P energy: -55.427 tors. eta vs tors. theta energy: -112.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -1299.344806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.344806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.344806 (E_RNA) where: Base-Base interactions energy: -895.659 where: short stacking energy: -384.576 Base-Backbone interact. energy: -4.293 local terms energy: -399.392602 where: bonds (distance) C4'-P energy: -88.849 bonds (distance) P-C4' energy: -76.962 flat angles C4'-P-C4' energy: -97.104 flat angles P-C4'-P energy: -40.638 tors. eta vs tors. theta energy: -95.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -1235.265384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.265384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.265384 (E_RNA) where: Base-Base interactions energy: -843.375 where: short stacking energy: -357.411 Base-Backbone interact. energy: -0.631 local terms energy: -391.258790 where: bonds (distance) C4'-P energy: -87.272 bonds (distance) P-C4' energy: -85.247 flat angles C4'-P-C4' energy: -74.828 flat angles P-C4'-P energy: -65.563 tors. eta vs tors. theta energy: -78.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -859.885711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.885711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.885711 (E_RNA) where: Base-Base interactions energy: -557.170 where: short stacking energy: -258.563 Base-Backbone interact. energy: -1.504 local terms energy: -301.211512 where: bonds (distance) C4'-P energy: -84.159 bonds (distance) P-C4' energy: -87.351 flat angles C4'-P-C4' energy: -69.213 flat angles P-C4'-P energy: -25.926 tors. eta vs tors. theta energy: -34.562 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: 10, replica: 10 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -726.761521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.761521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.761521 (E_RNA) where: Base-Base interactions energy: -406.926 where: short stacking energy: -189.187 Base-Backbone interact. energy: 0.157 local terms energy: -319.992258 where: bonds (distance) C4'-P energy: -81.647 bonds (distance) P-C4' energy: -92.752 flat angles C4'-P-C4' energy: -83.743 flat angles P-C4'-P energy: -46.626 tors. eta vs tors. theta energy: -15.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1860.785187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.785187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.785187 (E_RNA) where: Base-Base interactions energy: -1309.566 where: short stacking energy: -553.923 Base-Backbone interact. energy: -3.336 local terms energy: -547.883533 where: bonds (distance) C4'-P energy: -95.992 bonds (distance) P-C4' energy: -107.422 flat angles C4'-P-C4' energy: -112.664 flat angles P-C4'-P energy: -81.302 tors. eta vs tors. theta energy: -150.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1737.738037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.738037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.738037 (E_RNA) where: Base-Base interactions energy: -1205.834 where: short stacking energy: -529.758 Base-Backbone interact. energy: -3.081 local terms energy: -528.822912 where: bonds (distance) C4'-P energy: -91.621 bonds (distance) P-C4' energy: -92.549 flat angles C4'-P-C4' energy: -111.685 flat angles P-C4'-P energy: -76.701 tors. eta vs tors. theta energy: -156.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1697.040368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1697.040368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1697.040368 (E_RNA) where: Base-Base interactions energy: -1207.854 where: short stacking energy: -515.601 Base-Backbone interact. energy: -2.787 local terms energy: -486.399270 where: bonds (distance) C4'-P energy: -86.444 bonds (distance) P-C4' energy: -89.503 flat angles C4'-P-C4' energy: -101.234 flat angles P-C4'-P energy: -70.469 tors. eta vs tors. theta energy: -138.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1612.590891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1612.590891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1612.590891 (E_RNA) where: Base-Base interactions energy: -1129.410 where: short stacking energy: -487.375 Base-Backbone interact. energy: -1.913 local terms energy: -481.268333 where: bonds (distance) C4'-P energy: -86.554 bonds (distance) P-C4' energy: -95.166 flat angles C4'-P-C4' energy: -89.642 flat angles P-C4'-P energy: -64.329 tors. eta vs tors. theta energy: -145.578 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: 7 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -1501.169159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.169159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.169159 (E_RNA) where: Base-Base interactions energy: -1060.326 where: short stacking energy: -440.687 Base-Backbone interact. energy: 0.395 local terms energy: -441.238192 where: bonds (distance) C4'-P energy: -79.170 bonds (distance) P-C4' energy: -87.591 flat angles C4'-P-C4' energy: -98.754 flat angles P-C4'-P energy: -59.877 tors. eta vs tors. theta energy: -115.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -1434.487867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1434.487867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1434.487867 (E_RNA) where: Base-Base interactions energy: -992.173 where: short stacking energy: -433.550 Base-Backbone interact. energy: -0.198 local terms energy: -442.117544 where: bonds (distance) C4'-P energy: -85.520 bonds (distance) P-C4' energy: -89.943 flat angles C4'-P-C4' energy: -94.117 flat angles P-C4'-P energy: -66.081 tors. eta vs tors. theta energy: -106.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -1296.225057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.225057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.225057 (E_RNA) where: Base-Base interactions energy: -875.321 where: short stacking energy: -403.359 Base-Backbone interact. energy: -1.272 local terms energy: -419.632706 where: bonds (distance) C4'-P energy: -77.510 bonds (distance) P-C4' energy: -80.035 flat angles C4'-P-C4' energy: -89.532 flat angles P-C4'-P energy: -61.866 tors. eta vs tors. theta energy: -110.690 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: 4 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -1159.668251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.668251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.668251 (E_RNA) where: Base-Base interactions energy: -779.076 where: short stacking energy: -335.208 Base-Backbone interact. energy: -0.949 local terms energy: -379.643292 where: bonds (distance) C4'-P energy: -84.563 bonds (distance) P-C4' energy: -86.874 flat angles C4'-P-C4' energy: -83.687 flat angles P-C4'-P energy: -49.361 tors. eta vs tors. theta energy: -75.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -851.789151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.789151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.789151 (E_RNA) where: Base-Base interactions energy: -518.777 where: short stacking energy: -241.141 Base-Backbone interact. energy: -0.039 local terms energy: -332.973840 where: bonds (distance) C4'-P energy: -84.010 bonds (distance) P-C4' energy: -76.085 flat angles C4'-P-C4' energy: -81.518 flat angles P-C4'-P energy: -52.260 tors. eta vs tors. theta energy: -39.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -759.017831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.017831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.017831 (E_RNA) where: Base-Base interactions energy: -471.589 where: short stacking energy: -220.279 Base-Backbone interact. energy: 1.269 local terms energy: -288.697730 where: bonds (distance) C4'-P energy: -70.910 bonds (distance) P-C4' energy: -89.123 flat angles C4'-P-C4' energy: -75.584 flat angles P-C4'-P energy: -29.709 tors. eta vs tors. theta energy: -23.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1861.361320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.361320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.361320 (E_RNA) where: Base-Base interactions energy: -1310.606 where: short stacking energy: -551.081 Base-Backbone interact. energy: -0.819 local terms energy: -549.936618 where: bonds (distance) C4'-P energy: -106.355 bonds (distance) P-C4' energy: -100.900 flat angles C4'-P-C4' energy: -107.624 flat angles P-C4'-P energy: -75.574 tors. eta vs tors. theta energy: -159.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1762.976753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.976753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.976753 (E_RNA) where: Base-Base interactions energy: -1242.310 where: short stacking energy: -525.515 Base-Backbone interact. energy: -0.613 local terms energy: -520.052928 where: bonds (distance) C4'-P energy: -97.757 bonds (distance) P-C4' energy: -99.608 flat angles C4'-P-C4' energy: -100.155 flat angles P-C4'-P energy: -75.424 tors. eta vs tors. theta energy: -147.109 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: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1707.385481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.385481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.385481 (E_RNA) where: Base-Base interactions energy: -1172.847 where: short stacking energy: -513.782 Base-Backbone interact. energy: -3.428 local terms energy: -531.110320 where: bonds (distance) C4'-P energy: -94.296 bonds (distance) P-C4' energy: -102.962 flat angles C4'-P-C4' energy: -112.570 flat angles P-C4'-P energy: -71.048 tors. eta vs tors. theta energy: -150.234 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: 3 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1577.309431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1577.309431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1577.309431 (E_RNA) where: Base-Base interactions energy: -1101.620 where: short stacking energy: -466.185 Base-Backbone interact. energy: -1.825 local terms energy: -473.864296 where: bonds (distance) C4'-P energy: -85.455 bonds (distance) P-C4' energy: -78.612 flat angles C4'-P-C4' energy: -109.149 flat angles P-C4'-P energy: -64.246 tors. eta vs tors. theta energy: -136.403 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: 7 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -1481.038568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1481.038568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1481.038568 (E_RNA) where: Base-Base interactions energy: -1040.063 where: short stacking energy: -422.293 Base-Backbone interact. energy: -1.028 local terms energy: -439.947673 where: bonds (distance) C4'-P energy: -88.739 bonds (distance) P-C4' energy: -95.490 flat angles C4'-P-C4' energy: -86.149 flat angles P-C4'-P energy: -60.953 tors. eta vs tors. theta energy: -108.618 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: 9 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -1424.600969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.600969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.600969 (E_RNA) where: Base-Base interactions energy: -999.836 where: short stacking energy: -445.323 Base-Backbone interact. energy: 0.996 local terms energy: -425.761349 where: bonds (distance) C4'-P energy: -56.221 bonds (distance) P-C4' energy: -84.381 flat angles C4'-P-C4' energy: -105.906 flat angles P-C4'-P energy: -61.837 tors. eta vs tors. theta energy: -117.417 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: 1 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -1285.533100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.533100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.533100 (E_RNA) where: Base-Base interactions energy: -880.040 where: short stacking energy: -397.979 Base-Backbone interact. energy: 7.280 local terms energy: -412.772553 where: bonds (distance) C4'-P energy: -84.265 bonds (distance) P-C4' energy: -90.794 flat angles C4'-P-C4' energy: -88.266 flat angles P-C4'-P energy: -65.967 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: 8, replica: 4 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -1208.366195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.366195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.366195 (E_RNA) where: Base-Base interactions energy: -832.690 where: short stacking energy: -377.569 Base-Backbone interact. energy: 0.865 local terms energy: -376.541274 where: bonds (distance) C4'-P energy: -82.493 bonds (distance) P-C4' energy: -65.485 flat angles C4'-P-C4' energy: -81.864 flat angles P-C4'-P energy: -50.196 tors. eta vs tors. theta energy: -96.503 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: 9, replica: 2 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -909.791350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.791350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.791350 (E_RNA) where: Base-Base interactions energy: -585.119 where: short stacking energy: -244.352 Base-Backbone interact. energy: -1.974 local terms energy: -322.698326 where: bonds (distance) C4'-P energy: -59.922 bonds (distance) P-C4' energy: -96.204 flat angles C4'-P-C4' energy: -88.514 flat angles P-C4'-P energy: -45.370 tors. eta vs tors. theta energy: -32.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -771.883306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.883306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.883306 (E_RNA) where: Base-Base interactions energy: -475.158 where: short stacking energy: -224.760 Base-Backbone interact. energy: -0.499 local terms energy: -296.225997 where: bonds (distance) C4'-P energy: -69.490 bonds (distance) P-C4' energy: -73.573 flat angles C4'-P-C4' energy: -92.552 flat angles P-C4'-P energy: -48.656 tors. eta vs tors. theta energy: -11.955 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: 6 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1872.977430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.977430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.977430 (E_RNA) where: Base-Base interactions energy: -1335.649 where: short stacking energy: -575.671 Base-Backbone interact. energy: -1.755 local terms energy: -535.574410 where: bonds (distance) C4'-P energy: -99.389 bonds (distance) P-C4' energy: -95.857 flat angles C4'-P-C4' energy: -109.755 flat angles P-C4'-P energy: -75.895 tors. eta vs tors. theta energy: -154.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1736.562455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.562455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.562455 (E_RNA) where: Base-Base interactions energy: -1185.912 where: short stacking energy: -501.746 Base-Backbone interact. energy: -2.332 local terms energy: -548.318532 where: bonds (distance) C4'-P energy: -106.207 bonds (distance) P-C4' energy: -103.774 flat angles C4'-P-C4' energy: -114.080 flat angles P-C4'-P energy: -76.204 tors. eta vs tors. theta energy: -148.055 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: 5 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1711.541174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.541174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.541174 (E_RNA) where: Base-Base interactions energy: -1202.760 where: short stacking energy: -517.208 Base-Backbone interact. energy: -2.752 local terms energy: -506.028619 where: bonds (distance) C4'-P energy: -93.509 bonds (distance) P-C4' energy: -94.561 flat angles C4'-P-C4' energy: -104.164 flat angles P-C4'-P energy: -67.932 tors. eta vs tors. theta energy: -145.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1554.629694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1554.629694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1554.629694 (E_RNA) where: Base-Base interactions energy: -1078.613 where: short stacking energy: -468.497 Base-Backbone interact. energy: -1.945 local terms energy: -474.071757 where: bonds (distance) C4'-P energy: -85.417 bonds (distance) P-C4' energy: -89.098 flat angles C4'-P-C4' energy: -110.015 flat angles P-C4'-P energy: -68.641 tors. eta vs tors. theta energy: -120.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -1461.127013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1461.127013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1461.127013 (E_RNA) where: Base-Base interactions energy: -1012.980 where: short stacking energy: -453.123 Base-Backbone interact. energy: -0.288 local terms energy: -447.858583 where: bonds (distance) C4'-P energy: -82.783 bonds (distance) P-C4' energy: -73.062 flat angles C4'-P-C4' energy: -94.787 flat angles P-C4'-P energy: -63.498 tors. eta vs tors. theta energy: -133.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -1417.170321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.170321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.170321 (E_RNA) where: Base-Base interactions energy: -982.034 where: short stacking energy: -411.447 Base-Backbone interact. energy: -1.122 local terms energy: -434.013923 where: bonds (distance) C4'-P energy: -83.574 bonds (distance) P-C4' energy: -81.723 flat angles C4'-P-C4' energy: -99.298 flat angles P-C4'-P energy: -63.867 tors. eta vs tors. theta energy: -105.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -1303.711817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.711817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.711817 (E_RNA) where: Base-Base interactions energy: -877.897 where: short stacking energy: -387.936 Base-Backbone interact. energy: 1.036 local terms energy: -426.850682 where: bonds (distance) C4'-P energy: -87.705 bonds (distance) P-C4' energy: -86.584 flat angles C4'-P-C4' energy: -87.524 flat angles P-C4'-P energy: -61.171 tors. eta vs tors. theta energy: -103.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -1105.095612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.095612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.095612 (E_RNA) where: Base-Base interactions energy: -741.506 where: short stacking energy: -316.006 Base-Backbone interact. energy: -1.449 local terms energy: -362.140379 where: bonds (distance) C4'-P energy: -86.730 bonds (distance) P-C4' energy: -79.822 flat angles C4'-P-C4' energy: -81.343 flat angles P-C4'-P energy: -57.445 tors. eta vs tors. theta energy: -56.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -892.821315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.821315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.821315 (E_RNA) where: Base-Base interactions energy: -573.286 where: short stacking energy: -250.758 Base-Backbone interact. energy: 2.800 local terms energy: -322.334832 where: bonds (distance) C4'-P energy: -71.849 bonds (distance) P-C4' energy: -81.294 flat angles C4'-P-C4' energy: -80.841 flat angles P-C4'-P energy: -59.356 tors. eta vs tors. theta energy: -28.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -762.255416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.255416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.255416 (E_RNA) where: Base-Base interactions energy: -485.758 where: short stacking energy: -209.239 Base-Backbone interact. energy: -1.678 local terms energy: -274.819829 where: bonds (distance) C4'-P energy: -71.203 bonds (distance) P-C4' energy: -80.162 flat angles C4'-P-C4' energy: -64.670 flat angles P-C4'-P energy: -40.213 tors. eta vs tors. theta energy: -18.572 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: 1, replica: 6 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1859.310016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.310016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.310016 (E_RNA) where: Base-Base interactions energy: -1312.889 where: short stacking energy: -569.702 Base-Backbone interact. energy: -2.926 local terms energy: -543.495316 where: bonds (distance) C4'-P energy: -103.290 bonds (distance) P-C4' energy: -102.686 flat angles C4'-P-C4' energy: -111.200 flat angles P-C4'-P energy: -65.575 tors. eta vs tors. theta energy: -160.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1763.144549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.144549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.144549 (E_RNA) where: Base-Base interactions energy: -1232.384 where: short stacking energy: -518.532 Base-Backbone interact. energy: -3.368 local terms energy: -527.392470 where: bonds (distance) C4'-P energy: -96.903 bonds (distance) P-C4' energy: -97.984 flat angles C4'-P-C4' energy: -106.428 flat angles P-C4'-P energy: -73.017 tors. eta vs tors. theta energy: -153.061 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: 3, replica: 5 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1702.208982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1702.208982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1702.208982 (E_RNA) where: Base-Base interactions energy: -1185.620 where: short stacking energy: -498.030 Base-Backbone interact. energy: -0.450 local terms energy: -516.139349 where: bonds (distance) C4'-P energy: -87.709 bonds (distance) P-C4' energy: -106.369 flat angles C4'-P-C4' energy: -103.266 flat angles P-C4'-P energy: -71.629 tors. eta vs tors. theta energy: -147.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1638.000495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1638.000495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1638.000495 (E_RNA) where: Base-Base interactions energy: -1132.109 where: short stacking energy: -491.275 Base-Backbone interact. energy: 0.143 local terms energy: -506.034260 where: bonds (distance) C4'-P energy: -89.930 bonds (distance) P-C4' energy: -100.181 flat angles C4'-P-C4' energy: -109.303 flat angles P-C4'-P energy: -66.130 tors. eta vs tors. theta energy: -140.490 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: 9 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -1459.578314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.578314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.578314 (E_RNA) where: Base-Base interactions energy: -1031.526 where: short stacking energy: -437.336 Base-Backbone interact. energy: -0.066 local terms energy: -427.985829 where: bonds (distance) C4'-P energy: -90.990 bonds (distance) P-C4' energy: -88.447 flat angles C4'-P-C4' energy: -87.941 flat angles P-C4'-P energy: -50.389 tors. eta vs tors. theta energy: -110.218 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: 7 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -1432.598503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1432.598503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1432.598503 (E_RNA) where: Base-Base interactions energy: -1014.469 where: short stacking energy: -400.775 Base-Backbone interact. energy: 0.154 local terms energy: -418.282822 where: bonds (distance) C4'-P energy: -91.463 bonds (distance) P-C4' energy: -80.275 flat angles C4'-P-C4' energy: -88.806 flat angles P-C4'-P energy: -53.983 tors. eta vs tors. theta energy: -103.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -1285.524991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.524991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.524991 (E_RNA) where: Base-Base interactions energy: -846.886 where: short stacking energy: -377.986 Base-Backbone interact. energy: 0.958 local terms energy: -439.597609 where: bonds (distance) C4'-P energy: -95.318 bonds (distance) P-C4' energy: -68.661 flat angles C4'-P-C4' energy: -110.049 flat angles P-C4'-P energy: -77.398 tors. eta vs tors. theta energy: -88.172 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: 8, replica: 4 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -1028.706664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.706664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.706664 (E_RNA) where: Base-Base interactions energy: -682.665 where: short stacking energy: -291.572 Base-Backbone interact. energy: 1.486 local terms energy: -347.527635 where: bonds (distance) C4'-P energy: -73.089 bonds (distance) P-C4' energy: -88.363 flat angles C4'-P-C4' energy: -90.405 flat angles P-C4'-P energy: -44.051 tors. eta vs tors. theta energy: -51.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -950.565141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.565141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.565141 (E_RNA) where: Base-Base interactions energy: -604.048 where: short stacking energy: -276.466 Base-Backbone interact. energy: -1.664 local terms energy: -344.852661 where: bonds (distance) C4'-P energy: -74.729 bonds (distance) P-C4' energy: -96.608 flat angles C4'-P-C4' energy: -82.842 flat angles P-C4'-P energy: -41.462 tors. eta vs tors. theta energy: -49.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -761.823435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.823435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.823435 (E_RNA) where: Base-Base interactions energy: -445.524 where: short stacking energy: -211.578 Base-Backbone interact. energy: 0.903 local terms energy: -317.202238 where: bonds (distance) C4'-P energy: -80.676 bonds (distance) P-C4' energy: -90.147 flat angles C4'-P-C4' energy: -69.445 flat angles P-C4'-P energy: -47.408 tors. eta vs tors. theta energy: -29.526 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: 6 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1870.045555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.045555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.045555 (E_RNA) where: Base-Base interactions energy: -1316.480 where: short stacking energy: -561.261 Base-Backbone interact. energy: -2.578 local terms energy: -550.988269 where: bonds (distance) C4'-P energy: -105.516 bonds (distance) P-C4' energy: -89.054 flat angles C4'-P-C4' energy: -122.353 flat angles P-C4'-P energy: -75.527 tors. eta vs tors. theta energy: -158.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1754.375172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.375172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.375172 (E_RNA) where: Base-Base interactions energy: -1231.349 where: short stacking energy: -526.892 Base-Backbone interact. energy: -1.715 local terms energy: -521.310989 where: bonds (distance) C4'-P energy: -80.775 bonds (distance) P-C4' energy: -96.880 flat angles C4'-P-C4' energy: -105.204 flat angles P-C4'-P energy: -88.199 tors. eta vs tors. theta energy: -150.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1708.235056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.235056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.235056 (E_RNA) where: Base-Base interactions energy: -1212.308 where: short stacking energy: -523.502 Base-Backbone interact. energy: -4.474 local terms energy: -491.452738 where: bonds (distance) C4'-P energy: -88.728 bonds (distance) P-C4' energy: -76.653 flat angles C4'-P-C4' energy: -108.535 flat angles P-C4'-P energy: -70.019 tors. eta vs tors. theta energy: -147.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1591.479978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.479978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.479978 (E_RNA) where: Base-Base interactions energy: -1100.141 where: short stacking energy: -483.130 Base-Backbone interact. energy: -2.419 local terms energy: -488.919590 where: bonds (distance) C4'-P energy: -85.323 bonds (distance) P-C4' energy: -83.855 flat angles C4'-P-C4' energy: -98.684 flat angles P-C4'-P energy: -74.404 tors. eta vs tors. theta energy: -146.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -1500.456440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1500.456440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1500.456440 (E_RNA) where: Base-Base interactions energy: -1039.821 where: short stacking energy: -422.010 Base-Backbone interact. energy: -0.553 local terms energy: -460.082388 where: bonds (distance) C4'-P energy: -89.899 bonds (distance) P-C4' energy: -87.296 flat angles C4'-P-C4' energy: -106.517 flat angles P-C4'-P energy: -63.629 tors. eta vs tors. theta energy: -112.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -1417.697953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.697953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.697953 (E_RNA) where: Base-Base interactions energy: -977.785 where: short stacking energy: -414.919 Base-Backbone interact. energy: -3.739 local terms energy: -436.173953 where: bonds (distance) C4'-P energy: -66.412 bonds (distance) P-C4' energy: -87.453 flat angles C4'-P-C4' energy: -93.173 flat angles P-C4'-P energy: -68.518 tors. eta vs tors. theta energy: -120.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -1263.555107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1263.555107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1263.555107 (E_RNA) where: Base-Base interactions energy: -872.948 where: short stacking energy: -360.013 Base-Backbone interact. energy: 0.443 local terms energy: -391.050227 where: bonds (distance) C4'-P energy: -78.035 bonds (distance) P-C4' energy: -81.706 flat angles C4'-P-C4' energy: -88.357 flat angles P-C4'-P energy: -63.391 tors. eta vs tors. theta energy: -79.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -1084.713066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.713066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.713066 (E_RNA) where: Base-Base interactions energy: -730.526 where: short stacking energy: -320.939 Base-Backbone interact. energy: -1.876 local terms energy: -352.310416 where: bonds (distance) C4'-P energy: -72.767 bonds (distance) P-C4' energy: -84.961 flat angles C4'-P-C4' energy: -80.241 flat angles P-C4'-P energy: -51.840 tors. eta vs tors. theta energy: -62.503 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: 9, replica: 2 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -909.235818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.235818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.235818 (E_RNA) where: Base-Base interactions energy: -578.314 where: short stacking energy: -257.640 Base-Backbone interact. energy: 1.154 local terms energy: -332.075880 where: bonds (distance) C4'-P energy: -73.629 bonds (distance) P-C4' energy: -83.038 flat angles C4'-P-C4' energy: -89.951 flat angles P-C4'-P energy: -36.436 tors. eta vs tors. theta energy: -49.021 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: 10, replica: 10 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -732.761395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.761395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.761395 (E_RNA) where: Base-Base interactions energy: -436.207 where: short stacking energy: -212.316 Base-Backbone interact. energy: 4.896 local terms energy: -301.450178 where: bonds (distance) C4'-P energy: -74.173 bonds (distance) P-C4' energy: -80.601 flat angles C4'-P-C4' energy: -78.768 flat angles P-C4'-P energy: -41.714 tors. eta vs tors. theta energy: -26.195 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: 6 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1866.554456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.554456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.554456 (E_RNA) where: Base-Base interactions energy: -1322.437 where: short stacking energy: -535.472 Base-Backbone interact. energy: 2.481 local terms energy: -546.598776 where: bonds (distance) C4'-P energy: -93.359 bonds (distance) P-C4' energy: -101.322 flat angles C4'-P-C4' energy: -111.301 flat angles P-C4'-P energy: -90.149 tors. eta vs tors. theta energy: -150.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1758.377917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.377917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.377917 (E_RNA) where: Base-Base interactions energy: -1214.398 where: short stacking energy: -535.536 Base-Backbone interact. energy: -2.725 local terms energy: -541.255340 where: bonds (distance) C4'-P energy: -89.540 bonds (distance) P-C4' energy: -97.208 flat angles C4'-P-C4' energy: -113.329 flat angles P-C4'-P energy: -79.553 tors. eta vs tors. theta energy: -161.625 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: 407 Temperature: 1.000000 Total energy: -1712.113100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1712.113100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1712.113100 (E_RNA) where: Base-Base interactions energy: -1211.783 where: short stacking energy: -510.901 Base-Backbone interact. energy: -4.452 local terms energy: -495.878240 where: bonds (distance) C4'-P energy: -80.043 bonds (distance) P-C4' energy: -93.350 flat angles C4'-P-C4' energy: -122.316 flat angles P-C4'-P energy: -61.943 tors. eta vs tors. theta energy: -138.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1591.984804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.984804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.984804 (E_RNA) where: Base-Base interactions energy: -1117.969 where: short stacking energy: -472.197 Base-Backbone interact. energy: -0.594 local terms energy: -473.421730 where: bonds (distance) C4'-P energy: -83.977 bonds (distance) P-C4' energy: -98.894 flat angles C4'-P-C4' energy: -103.666 flat angles P-C4'-P energy: -63.170 tors. eta vs tors. theta energy: -123.714 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: 7 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -1466.291207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1466.291207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1466.291207 (E_RNA) where: Base-Base interactions energy: -1026.757 where: short stacking energy: -440.663 Base-Backbone interact. energy: 5.577 local terms energy: -445.110971 where: bonds (distance) C4'-P energy: -79.251 bonds (distance) P-C4' energy: -87.572 flat angles C4'-P-C4' energy: -99.315 flat angles P-C4'-P energy: -65.397 tors. eta vs tors. theta energy: -113.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -1367.604112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.604112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.604112 (E_RNA) where: Base-Base interactions energy: -938.819 where: short stacking energy: -408.883 Base-Backbone interact. energy: -1.927 local terms energy: -426.858060 where: bonds (distance) C4'-P energy: -87.808 bonds (distance) P-C4' energy: -83.388 flat angles C4'-P-C4' energy: -95.120 flat angles P-C4'-P energy: -52.983 tors. eta vs tors. theta energy: -107.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -1275.670058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1275.670058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1275.670058 (E_RNA) where: Base-Base interactions energy: -851.510 where: short stacking energy: -377.815 Base-Backbone interact. energy: -0.696 local terms energy: -423.464330 where: bonds (distance) C4'-P energy: -95.726 bonds (distance) P-C4' energy: -86.077 flat angles C4'-P-C4' energy: -79.060 flat angles P-C4'-P energy: -61.029 tors. eta vs tors. theta energy: -101.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -973.957049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.957049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.957049 (E_RNA) where: Base-Base interactions energy: -640.506 where: short stacking energy: -290.145 Base-Backbone interact. energy: 0.987 local terms energy: -334.437479 where: bonds (distance) C4'-P energy: -73.725 bonds (distance) P-C4' energy: -83.964 flat angles C4'-P-C4' energy: -76.782 flat angles P-C4'-P energy: -55.471 tors. eta vs tors. theta energy: -44.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -863.171536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.171536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.171536 (E_RNA) where: Base-Base interactions energy: -546.849 where: short stacking energy: -244.055 Base-Backbone interact. energy: -2.442 local terms energy: -313.880437 where: bonds (distance) C4'-P energy: -61.982 bonds (distance) P-C4' energy: -88.524 flat angles C4'-P-C4' energy: -77.440 flat angles P-C4'-P energy: -45.295 tors. eta vs tors. theta energy: -40.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -706.573025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.573025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.573025 (E_RNA) where: Base-Base interactions energy: -403.035 where: short stacking energy: -208.253 Base-Backbone interact. energy: -1.133 local terms energy: -302.404869 where: bonds (distance) C4'-P energy: -74.178 bonds (distance) P-C4' energy: -87.988 flat angles C4'-P-C4' energy: -67.956 flat angles P-C4'-P energy: -42.307 tors. eta vs tors. theta energy: -29.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1851.875457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1851.875457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1851.875457 (E_RNA) where: Base-Base interactions energy: -1299.681 where: short stacking energy: -542.614 Base-Backbone interact. energy: 0.000 local terms energy: -552.194342 where: bonds (distance) C4'-P energy: -96.788 bonds (distance) P-C4' energy: -113.810 flat angles C4'-P-C4' energy: -109.383 flat angles P-C4'-P energy: -80.610 tors. eta vs tors. theta energy: -151.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1716.360038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1716.360038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1716.360038 (E_RNA) where: Base-Base interactions energy: -1182.846 where: short stacking energy: -502.022 Base-Backbone interact. energy: -2.902 local terms energy: -530.611883 where: bonds (distance) C4'-P energy: -100.385 bonds (distance) P-C4' energy: -95.889 flat angles C4'-P-C4' energy: -114.043 flat angles P-C4'-P energy: -71.577 tors. eta vs tors. theta energy: -148.717 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: 3, replica: 5 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1708.477684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.477684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.477684 (E_RNA) where: Base-Base interactions energy: -1183.210 where: short stacking energy: -510.357 Base-Backbone interact. energy: -1.837 local terms energy: -523.430850 where: bonds (distance) C4'-P energy: -84.566 bonds (distance) P-C4' energy: -103.317 flat angles C4'-P-C4' energy: -112.093 flat angles P-C4'-P energy: -80.353 tors. eta vs tors. theta energy: -143.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1587.594677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.594677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.594677 (E_RNA) where: Base-Base interactions energy: -1104.114 where: short stacking energy: -463.892 Base-Backbone interact. energy: -2.354 local terms energy: -481.126395 where: bonds (distance) C4'-P energy: -82.992 bonds (distance) P-C4' energy: -88.932 flat angles C4'-P-C4' energy: -107.368 flat angles P-C4'-P energy: -66.773 tors. eta vs tors. theta energy: -135.062 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: 7 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -1492.077385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1492.077385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1492.077385 (E_RNA) where: Base-Base interactions energy: -1049.842 where: short stacking energy: -416.278 Base-Backbone interact. energy: -1.486 local terms energy: -440.749436 where: bonds (distance) C4'-P energy: -89.235 bonds (distance) P-C4' energy: -84.495 flat angles C4'-P-C4' energy: -100.217 flat angles P-C4'-P energy: -67.027 tors. eta vs tors. theta energy: -99.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -1412.755373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.755373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.755373 (E_RNA) where: Base-Base interactions energy: -978.574 where: short stacking energy: -426.993 Base-Backbone interact. energy: -1.917 local terms energy: -432.264341 where: bonds (distance) C4'-P energy: -83.051 bonds (distance) P-C4' energy: -93.011 flat angles C4'-P-C4' energy: -98.576 flat angles P-C4'-P energy: -55.025 tors. eta vs tors. theta energy: -102.601 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: 408 Temperature: 1.200000 Total energy: -1300.134772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.134772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.134772 (E_RNA) where: Base-Base interactions energy: -871.458 where: short stacking energy: -394.641 Base-Backbone interact. energy: -1.681 local terms energy: -426.996066 where: bonds (distance) C4'-P energy: -78.990 bonds (distance) P-C4' energy: -82.002 flat angles C4'-P-C4' energy: -98.135 flat angles P-C4'-P energy: -57.123 tors. eta vs tors. theta energy: -110.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -1003.097619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.097619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.097619 (E_RNA) where: Base-Base interactions energy: -653.133 where: short stacking energy: -271.352 Base-Backbone interact. energy: -1.138 local terms energy: -348.826856 where: bonds (distance) C4'-P energy: -80.874 bonds (distance) P-C4' energy: -82.507 flat angles C4'-P-C4' energy: -79.130 flat angles P-C4'-P energy: -60.108 tors. eta vs tors. theta energy: -46.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -915.331658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.331658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.331658 (E_RNA) where: Base-Base interactions energy: -593.807 where: short stacking energy: -262.823 Base-Backbone interact. energy: 0.171 local terms energy: -321.695545 where: bonds (distance) C4'-P energy: -78.547 bonds (distance) P-C4' energy: -85.757 flat angles C4'-P-C4' energy: -83.506 flat angles P-C4'-P energy: -32.576 tors. eta vs tors. theta energy: -41.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -740.732582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.732582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.732582 (E_RNA) where: Base-Base interactions energy: -449.451 where: short stacking energy: -218.073 Base-Backbone interact. energy: -0.527 local terms energy: -290.755003 where: bonds (distance) C4'-P energy: -81.602 bonds (distance) P-C4' energy: -90.015 flat angles C4'-P-C4' energy: -50.608 flat angles P-C4'-P energy: -48.323 tors. eta vs tors. theta energy: -20.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1855.197668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.197668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.197668 (E_RNA) where: Base-Base interactions energy: -1330.869 where: short stacking energy: -571.858 Base-Backbone interact. energy: -0.292 local terms energy: -524.037383 where: bonds (distance) C4'-P energy: -82.824 bonds (distance) P-C4' energy: -92.304 flat angles C4'-P-C4' energy: -118.630 flat angles P-C4'-P energy: -76.740 tors. eta vs tors. theta energy: -153.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1768.543786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.543786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.543786 (E_RNA) where: Base-Base interactions energy: -1240.813 where: short stacking energy: -521.044 Base-Backbone interact. energy: -1.492 local terms energy: -526.239095 where: bonds (distance) C4'-P energy: -98.237 bonds (distance) P-C4' energy: -106.471 flat angles C4'-P-C4' energy: -111.032 flat angles P-C4'-P energy: -69.360 tors. eta vs tors. theta energy: -141.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1745.982401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.982401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.982401 (E_RNA) where: Base-Base interactions energy: -1221.746 where: short stacking energy: -516.314 Base-Backbone interact. energy: -2.873 local terms energy: -521.364197 where: bonds (distance) C4'-P energy: -97.536 bonds (distance) P-C4' energy: -91.276 flat angles C4'-P-C4' energy: -109.598 flat angles P-C4'-P energy: -63.348 tors. eta vs tors. theta energy: -159.606 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: 4, replica: 3 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1580.901317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1580.901317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1580.901317 (E_RNA) where: Base-Base interactions energy: -1098.524 where: short stacking energy: -475.882 Base-Backbone interact. energy: -4.727 local terms energy: -477.650072 where: bonds (distance) C4'-P energy: -94.662 bonds (distance) P-C4' energy: -89.081 flat angles C4'-P-C4' energy: -107.284 flat angles P-C4'-P energy: -61.047 tors. eta vs tors. theta energy: -125.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -1488.416505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1488.416505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1488.416505 (E_RNA) where: Base-Base interactions energy: -1053.902 where: short stacking energy: -445.013 Base-Backbone interact. energy: -0.709 local terms energy: -433.804857 where: bonds (distance) C4'-P energy: -79.621 bonds (distance) P-C4' energy: -86.939 flat angles C4'-P-C4' energy: -96.060 flat angles P-C4'-P energy: -63.678 tors. eta vs tors. theta energy: -107.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -1394.120409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.120409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.120409 (E_RNA) where: Base-Base interactions energy: -962.259 where: short stacking energy: -445.618 Base-Backbone interact. energy: -1.106 local terms energy: -430.755056 where: bonds (distance) C4'-P energy: -84.609 bonds (distance) P-C4' energy: -76.292 flat angles C4'-P-C4' energy: -99.704 flat angles P-C4'-P energy: -59.750 tors. eta vs tors. theta energy: -110.400 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: 1 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -1251.712417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.712417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.712417 (E_RNA) where: Base-Base interactions energy: -839.341 where: short stacking energy: -363.458 Base-Backbone interact. energy: 3.949 local terms energy: -416.320247 where: bonds (distance) C4'-P energy: -73.088 bonds (distance) P-C4' energy: -94.517 flat angles C4'-P-C4' energy: -88.118 flat angles P-C4'-P energy: -56.014 tors. eta vs tors. theta energy: -104.583 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: 4 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -1075.624925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.624925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.624925 (E_RNA) where: Base-Base interactions energy: -686.496 where: short stacking energy: -314.659 Base-Backbone interact. energy: -1.035 local terms energy: -388.094347 where: bonds (distance) C4'-P energy: -73.892 bonds (distance) P-C4' energy: -93.683 flat angles C4'-P-C4' energy: -93.831 flat angles P-C4'-P energy: -62.715 tors. eta vs tors. theta energy: -63.974 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: 9, replica: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -888.989935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.989935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.989935 (E_RNA) where: Base-Base interactions energy: -568.510 where: short stacking energy: -264.715 Base-Backbone interact. energy: 2.356 local terms energy: -322.835357 where: bonds (distance) C4'-P energy: -91.879 bonds (distance) P-C4' energy: -83.807 flat angles C4'-P-C4' energy: -77.553 flat angles P-C4'-P energy: -35.609 tors. eta vs tors. theta energy: -33.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -753.132645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.132645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.132645 (E_RNA) where: Base-Base interactions energy: -462.166 where: short stacking energy: -225.871 Base-Backbone interact. energy: -0.691 local terms energy: -290.275276 where: bonds (distance) C4'-P energy: -78.981 bonds (distance) P-C4' energy: -74.362 flat angles C4'-P-C4' energy: -72.304 flat angles P-C4'-P energy: -35.838 tors. eta vs tors. theta energy: -28.790 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: 6 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1865.018972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.018972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.018972 (E_RNA) where: Base-Base interactions energy: -1314.398 where: short stacking energy: -552.183 Base-Backbone interact. energy: -3.500 local terms energy: -547.121111 where: bonds (distance) C4'-P energy: -93.904 bonds (distance) P-C4' energy: -99.760 flat angles C4'-P-C4' energy: -115.154 flat angles P-C4'-P energy: -86.016 tors. eta vs tors. theta energy: -152.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1757.571227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1757.571227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1757.571227 (E_RNA) where: Base-Base interactions energy: -1226.096 where: short stacking energy: -521.214 Base-Backbone interact. energy: 0.532 local terms energy: -532.007620 where: bonds (distance) C4'-P energy: -89.150 bonds (distance) P-C4' energy: -105.762 flat angles C4'-P-C4' energy: -116.822 flat angles P-C4'-P energy: -79.829 tors. eta vs tors. theta energy: -140.444 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: 8 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1740.371346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.371346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.371346 (E_RNA) where: Base-Base interactions energy: -1217.471 where: short stacking energy: -521.299 Base-Backbone interact. energy: -1.251 local terms energy: -521.649570 where: bonds (distance) C4'-P energy: -92.279 bonds (distance) P-C4' energy: -98.077 flat angles C4'-P-C4' energy: -105.780 flat angles P-C4'-P energy: -70.097 tors. eta vs tors. theta energy: -155.417 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: 4, replica: 3 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1575.269169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.269169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.269169 (E_RNA) where: Base-Base interactions energy: -1105.848 where: short stacking energy: -473.650 Base-Backbone interact. energy: 0.767 local terms energy: -470.187703 where: bonds (distance) C4'-P energy: -86.521 bonds (distance) P-C4' energy: -86.176 flat angles C4'-P-C4' energy: -94.559 flat angles P-C4'-P energy: -68.157 tors. eta vs tors. theta energy: -134.775 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: 7 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -1510.880444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1510.880444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1510.880444 (E_RNA) where: Base-Base interactions energy: -1041.759 where: short stacking energy: -429.702 Base-Backbone interact. energy: -0.309 local terms energy: -468.811781 where: bonds (distance) C4'-P energy: -89.028 bonds (distance) P-C4' energy: -96.220 flat angles C4'-P-C4' energy: -99.238 flat angles P-C4'-P energy: -68.794 tors. eta vs tors. theta energy: -115.532 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: 410 Temperature: 1.150000 Total energy: -1399.931069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1399.931069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1399.931069 (E_RNA) where: Base-Base interactions energy: -962.148 where: short stacking energy: -434.433 Base-Backbone interact. energy: 1.029 local terms energy: -438.812134 where: bonds (distance) C4'-P energy: -94.794 bonds (distance) P-C4' energy: -95.554 flat angles C4'-P-C4' energy: -98.030 flat angles P-C4'-P energy: -43.489 tors. eta vs tors. theta energy: -106.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -1237.316236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1237.316236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1237.316236 (E_RNA) where: Base-Base interactions energy: -835.123 where: short stacking energy: -361.492 Base-Backbone interact. energy: 3.533 local terms energy: -405.726032 where: bonds (distance) C4'-P energy: -90.306 bonds (distance) P-C4' energy: -81.875 flat angles C4'-P-C4' energy: -93.344 flat angles P-C4'-P energy: -52.013 tors. eta vs tors. theta energy: -88.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -1080.063655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.063655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.063655 (E_RNA) where: Base-Base interactions energy: -711.458 where: short stacking energy: -303.343 Base-Backbone interact. energy: -2.751 local terms energy: -365.854584 where: bonds (distance) C4'-P energy: -82.765 bonds (distance) P-C4' energy: -77.542 flat angles C4'-P-C4' energy: -91.785 flat angles P-C4'-P energy: -46.105 tors. eta vs tors. theta energy: -67.658 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: 9, replica: 2 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -884.392130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.392130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.392130 (E_RNA) where: Base-Base interactions energy: -563.645 where: short stacking energy: -254.087 Base-Backbone interact. energy: -1.342 local terms energy: -319.405011 where: bonds (distance) C4'-P energy: -84.944 bonds (distance) P-C4' energy: -72.067 flat angles C4'-P-C4' energy: -76.789 flat angles P-C4'-P energy: -44.260 tors. eta vs tors. theta energy: -41.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -770.097778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.097778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.097778 (E_RNA) where: Base-Base interactions energy: -471.708 where: short stacking energy: -199.075 Base-Backbone interact. energy: 1.321 local terms energy: -299.710903 where: bonds (distance) C4'-P energy: -70.672 bonds (distance) P-C4' energy: -83.640 flat angles C4'-P-C4' energy: -83.420 flat angles P-C4'-P energy: -35.958 tors. eta vs tors. theta energy: -26.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1858.226330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.226330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.226330 (E_RNA) where: Base-Base interactions energy: -1311.445 where: short stacking energy: -550.318 Base-Backbone interact. energy: -1.201 local terms energy: -545.580537 where: bonds (distance) C4'-P energy: -99.536 bonds (distance) P-C4' energy: -99.178 flat angles C4'-P-C4' energy: -111.288 flat angles P-C4'-P energy: -85.650 tors. eta vs tors. theta energy: -149.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1759.601584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.601584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.601584 (E_RNA) where: Base-Base interactions energy: -1222.572 where: short stacking energy: -513.601 Base-Backbone interact. energy: -0.316 local terms energy: -536.713903 where: bonds (distance) C4'-P energy: -85.927 bonds (distance) P-C4' energy: -103.661 flat angles C4'-P-C4' energy: -114.337 flat angles P-C4'-P energy: -74.629 tors. eta vs tors. theta energy: -158.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1701.975230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1701.975230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1701.975230 (E_RNA) where: Base-Base interactions energy: -1180.109 where: short stacking energy: -488.745 Base-Backbone interact. energy: -1.465 local terms energy: -520.401161 where: bonds (distance) C4'-P energy: -89.919 bonds (distance) P-C4' energy: -98.929 flat angles C4'-P-C4' energy: -112.928 flat angles P-C4'-P energy: -79.437 tors. eta vs tors. theta energy: -139.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1575.445712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.445712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.445712 (E_RNA) where: Base-Base interactions energy: -1079.796 where: short stacking energy: -457.807 Base-Backbone interact. energy: -1.937 local terms energy: -493.711973 where: bonds (distance) C4'-P energy: -102.134 bonds (distance) P-C4' energy: -96.870 flat angles C4'-P-C4' energy: -88.757 flat angles P-C4'-P energy: -74.848 tors. eta vs tors. theta energy: -131.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -1541.426248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.426248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.426248 (E_RNA) where: Base-Base interactions energy: -1078.131 where: short stacking energy: -453.967 Base-Backbone interact. energy: -1.372 local terms energy: -461.922823 where: bonds (distance) C4'-P energy: -89.647 bonds (distance) P-C4' energy: -91.979 flat angles C4'-P-C4' energy: -87.102 flat angles P-C4'-P energy: -68.962 tors. eta vs tors. theta energy: -124.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -1374.644317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1374.644317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1374.644317 (E_RNA) where: Base-Base interactions energy: -965.419 where: short stacking energy: -434.680 Base-Backbone interact. energy: 1.012 local terms energy: -410.237175 where: bonds (distance) C4'-P energy: -82.391 bonds (distance) P-C4' energy: -87.654 flat angles C4'-P-C4' energy: -90.833 flat angles P-C4'-P energy: -53.497 tors. eta vs tors. theta energy: -95.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -1317.473297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1317.473297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1317.473297 (E_RNA) where: Base-Base interactions energy: -904.273 where: short stacking energy: -383.676 Base-Backbone interact. energy: 1.583 local terms energy: -414.783214 where: bonds (distance) C4'-P energy: -87.638 bonds (distance) P-C4' energy: -90.089 flat angles C4'-P-C4' energy: -84.884 flat angles P-C4'-P energy: -59.260 tors. eta vs tors. theta energy: -92.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -1108.244067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.244067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.244067 (E_RNA) where: Base-Base interactions energy: -712.985 where: short stacking energy: -338.748 Base-Backbone interact. energy: 0.270 local terms energy: -395.529149 where: bonds (distance) C4'-P energy: -76.064 bonds (distance) P-C4' energy: -99.874 flat angles C4'-P-C4' energy: -87.193 flat angles P-C4'-P energy: -56.666 tors. eta vs tors. theta energy: -75.732 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: 2 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -902.062630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.062630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.062630 (E_RNA) where: Base-Base interactions energy: -553.199 where: short stacking energy: -259.661 Base-Backbone interact. energy: 0.731 local terms energy: -349.594875 where: bonds (distance) C4'-P energy: -73.233 bonds (distance) P-C4' energy: -70.851 flat angles C4'-P-C4' energy: -88.728 flat angles P-C4'-P energy: -61.528 tors. eta vs tors. theta energy: -55.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -721.612362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.612362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.612362 (E_RNA) where: Base-Base interactions energy: -439.059 where: short stacking energy: -202.457 Base-Backbone interact. energy: -1.797 local terms energy: -280.756394 where: bonds (distance) C4'-P energy: -73.543 bonds (distance) P-C4' energy: -77.683 flat angles C4'-P-C4' energy: -60.282 flat angles P-C4'-P energy: -43.537 tors. eta vs tors. theta energy: -25.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1863.798583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.798583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.798583 (E_RNA) where: Base-Base interactions energy: -1298.701 where: short stacking energy: -548.589 Base-Backbone interact. energy: -1.139 local terms energy: -563.958538 where: bonds (distance) C4'-P energy: -100.401 bonds (distance) P-C4' energy: -106.747 flat angles C4'-P-C4' energy: -114.125 flat angles P-C4'-P energy: -84.460 tors. eta vs tors. theta energy: -158.226 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: 8 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1766.615528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.615528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.615528 (E_RNA) where: Base-Base interactions energy: -1217.722 where: short stacking energy: -514.785 Base-Backbone interact. energy: -1.364 local terms energy: -547.530164 where: bonds (distance) C4'-P energy: -89.601 bonds (distance) P-C4' energy: -106.109 flat angles C4'-P-C4' energy: -121.208 flat angles P-C4'-P energy: -78.782 tors. eta vs tors. theta energy: -151.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1731.837610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.837610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.837610 (E_RNA) where: Base-Base interactions energy: -1216.150 where: short stacking energy: -509.247 Base-Backbone interact. energy: -1.771 local terms energy: -513.917471 where: bonds (distance) C4'-P energy: -95.914 bonds (distance) P-C4' energy: -87.677 flat angles C4'-P-C4' energy: -105.862 flat angles P-C4'-P energy: -82.351 tors. eta vs tors. theta energy: -142.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1581.236364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.236364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.236364 (E_RNA) where: Base-Base interactions energy: -1094.271 where: short stacking energy: -481.889 Base-Backbone interact. energy: -2.739 local terms energy: -484.225574 where: bonds (distance) C4'-P energy: -103.279 bonds (distance) P-C4' energy: -78.151 flat angles C4'-P-C4' energy: -101.826 flat angles P-C4'-P energy: -69.047 tors. eta vs tors. theta energy: -131.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -1523.006049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.006049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.006049 (E_RNA) where: Base-Base interactions energy: -1064.632 where: short stacking energy: -444.706 Base-Backbone interact. energy: 1.294 local terms energy: -459.668650 where: bonds (distance) C4'-P energy: -85.379 bonds (distance) P-C4' energy: -99.350 flat angles C4'-P-C4' energy: -94.093 flat angles P-C4'-P energy: -65.692 tors. eta vs tors. theta energy: -115.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -1394.137149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1394.137149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1394.137149 (E_RNA) where: Base-Base interactions energy: -977.701 where: short stacking energy: -436.955 Base-Backbone interact. energy: -0.483 local terms energy: -415.952568 where: bonds (distance) C4'-P energy: -84.356 bonds (distance) P-C4' energy: -81.565 flat angles C4'-P-C4' energy: -93.248 flat angles P-C4'-P energy: -55.890 tors. eta vs tors. theta energy: -100.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -1311.852753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.852753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.852753 (E_RNA) where: Base-Base interactions energy: -879.436 where: short stacking energy: -386.687 Base-Backbone interact. energy: -1.444 local terms energy: -430.973579 where: bonds (distance) C4'-P energy: -96.889 bonds (distance) P-C4' energy: -91.296 flat angles C4'-P-C4' energy: -89.270 flat angles P-C4'-P energy: -41.995 tors. eta vs tors. theta energy: -111.523 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: 4 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -1006.255157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.255157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.255157 (E_RNA) where: Base-Base interactions energy: -646.472 where: short stacking energy: -286.785 Base-Backbone interact. energy: 1.948 local terms energy: -361.731159 where: bonds (distance) C4'-P energy: -76.739 bonds (distance) P-C4' energy: -83.152 flat angles C4'-P-C4' energy: -86.838 flat angles P-C4'-P energy: -59.671 tors. eta vs tors. theta energy: -55.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -920.573433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.573433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.573433 (E_RNA) where: Base-Base interactions energy: -583.663 where: short stacking energy: -270.701 Base-Backbone interact. energy: 0.601 local terms energy: -337.511001 where: bonds (distance) C4'-P energy: -83.749 bonds (distance) P-C4' energy: -84.282 flat angles C4'-P-C4' energy: -78.186 flat angles P-C4'-P energy: -47.013 tors. eta vs tors. theta energy: -44.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -733.499196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.499196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.499196 (E_RNA) where: Base-Base interactions energy: -439.280 where: short stacking energy: -217.926 Base-Backbone interact. energy: 1.395 local terms energy: -295.614468 where: bonds (distance) C4'-P energy: -77.052 bonds (distance) P-C4' energy: -76.952 flat angles C4'-P-C4' energy: -65.297 flat angles P-C4'-P energy: -55.947 tors. eta vs tors. theta energy: -20.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1867.660767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.660767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.660767 (E_RNA) where: Base-Base interactions energy: -1327.514 where: short stacking energy: -548.651 Base-Backbone interact. energy: 3.612 local terms energy: -543.759276 where: bonds (distance) C4'-P energy: -97.931 bonds (distance) P-C4' energy: -98.603 flat angles C4'-P-C4' energy: -114.603 flat angles P-C4'-P energy: -73.658 tors. eta vs tors. theta energy: -158.964 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: 413 Temperature: 0.950000 Total energy: -1761.610375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.610375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.610375 (E_RNA) where: Base-Base interactions energy: -1246.216 where: short stacking energy: -507.324 Base-Backbone interact. energy: 2.503 local terms energy: -517.897221 where: bonds (distance) C4'-P energy: -78.045 bonds (distance) P-C4' energy: -95.707 flat angles C4'-P-C4' energy: -111.002 flat angles P-C4'-P energy: -76.512 tors. eta vs tors. theta energy: -156.631 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: 3, replica: 8 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1730.370585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.370585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.370585 (E_RNA) where: Base-Base interactions energy: -1220.470 where: short stacking energy: -514.578 Base-Backbone interact. energy: -0.487 local terms energy: -509.413125 where: bonds (distance) C4'-P energy: -103.037 bonds (distance) P-C4' energy: -87.431 flat angles C4'-P-C4' energy: -103.116 flat angles P-C4'-P energy: -64.462 tors. eta vs tors. theta energy: -151.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1586.780334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1586.780334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1586.780334 (E_RNA) where: Base-Base interactions energy: -1111.410 where: short stacking energy: -485.771 Base-Backbone interact. energy: -2.960 local terms energy: -472.410064 where: bonds (distance) C4'-P energy: -65.170 bonds (distance) P-C4' energy: -95.780 flat angles C4'-P-C4' energy: -112.223 flat angles P-C4'-P energy: -66.679 tors. eta vs tors. theta energy: -132.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -1514.888608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.888608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.888608 (E_RNA) where: Base-Base interactions energy: -1058.788 where: short stacking energy: -447.103 Base-Backbone interact. energy: -1.673 local terms energy: -454.427021 where: bonds (distance) C4'-P energy: -91.953 bonds (distance) P-C4' energy: -93.330 flat angles C4'-P-C4' energy: -101.412 flat angles P-C4'-P energy: -50.665 tors. eta vs tors. theta energy: -117.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -1425.645596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1425.645596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1425.645596 (E_RNA) where: Base-Base interactions energy: -984.331 where: short stacking energy: -424.255 Base-Backbone interact. energy: 1.143 local terms energy: -442.457648 where: bonds (distance) C4'-P energy: -82.068 bonds (distance) P-C4' energy: -84.616 flat angles C4'-P-C4' energy: -105.400 flat angles P-C4'-P energy: -62.683 tors. eta vs tors. theta energy: -107.690 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: 1 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -1326.662186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1326.662186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1326.662186 (E_RNA) where: Base-Base interactions energy: -907.375 where: short stacking energy: -404.814 Base-Backbone interact. energy: -1.814 local terms energy: -417.473204 where: bonds (distance) C4'-P energy: -71.585 bonds (distance) P-C4' energy: -94.594 flat angles C4'-P-C4' energy: -92.376 flat angles P-C4'-P energy: -65.456 tors. eta vs tors. theta energy: -93.463 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: 4 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -993.957891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.957891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.957891 (E_RNA) where: Base-Base interactions energy: -654.002 where: short stacking energy: -285.678 Base-Backbone interact. energy: -2.984 local terms energy: -336.971228 where: bonds (distance) C4'-P energy: -89.672 bonds (distance) P-C4' energy: -81.069 flat angles C4'-P-C4' energy: -71.818 flat angles P-C4'-P energy: -41.343 tors. eta vs tors. theta energy: -53.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -895.191902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.191902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.191902 (E_RNA) where: Base-Base interactions energy: -590.907 where: short stacking energy: -242.909 Base-Backbone interact. energy: -0.084 local terms energy: -304.200551 where: bonds (distance) C4'-P energy: -66.638 bonds (distance) P-C4' energy: -77.511 flat angles C4'-P-C4' energy: -64.910 flat angles P-C4'-P energy: -61.541 tors. eta vs tors. theta energy: -33.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -689.936573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.936573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.936573 (E_RNA) where: Base-Base interactions energy: -403.921 where: short stacking energy: -179.959 Base-Backbone interact. energy: -4.174 local terms energy: -281.841172 where: bonds (distance) C4'-P energy: -64.699 bonds (distance) P-C4' energy: -84.896 flat angles C4'-P-C4' energy: -82.950 flat angles P-C4'-P energy: -49.453 tors. eta vs tors. theta energy: 0.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1868.384161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.384161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.384161 (E_RNA) where: Base-Base interactions energy: -1317.490 where: short stacking energy: -556.091 Base-Backbone interact. energy: 0.852 local terms energy: -551.745508 where: bonds (distance) C4'-P energy: -99.077 bonds (distance) P-C4' energy: -98.380 flat angles C4'-P-C4' energy: -114.564 flat angles P-C4'-P energy: -76.053 tors. eta vs tors. theta energy: -163.672 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: 5 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1773.817967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.817967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.817967 (E_RNA) where: Base-Base interactions energy: -1240.859 where: short stacking energy: -544.833 Base-Backbone interact. energy: 1.975 local terms energy: -534.934420 where: bonds (distance) C4'-P energy: -95.847 bonds (distance) P-C4' energy: -91.938 flat angles C4'-P-C4' energy: -119.804 flat angles P-C4'-P energy: -69.847 tors. eta vs tors. theta energy: -157.499 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: 3, replica: 8 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1761.393631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1761.393631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1761.393631 (E_RNA) where: Base-Base interactions energy: -1217.380 where: short stacking energy: -526.432 Base-Backbone interact. energy: 1.655 local terms energy: -545.668164 where: bonds (distance) C4'-P energy: -93.418 bonds (distance) P-C4' energy: -94.083 flat angles C4'-P-C4' energy: -114.525 flat angles P-C4'-P energy: -82.032 tors. eta vs tors. theta energy: -161.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1608.349790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1608.349790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1608.349790 (E_RNA) where: Base-Base interactions energy: -1123.046 where: short stacking energy: -477.102 Base-Backbone interact. energy: -1.475 local terms energy: -483.829363 where: bonds (distance) C4'-P energy: -90.365 bonds (distance) P-C4' energy: -85.547 flat angles C4'-P-C4' energy: -107.557 flat angles P-C4'-P energy: -68.594 tors. eta vs tors. theta energy: -131.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -1563.441037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.441037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.441037 (E_RNA) where: Base-Base interactions energy: -1104.107 where: short stacking energy: -457.003 Base-Backbone interact. energy: -0.223 local terms energy: -459.110888 where: bonds (distance) C4'-P energy: -78.721 bonds (distance) P-C4' energy: -86.762 flat angles C4'-P-C4' energy: -107.466 flat angles P-C4'-P energy: -68.883 tors. eta vs tors. theta energy: -117.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -1415.647307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1415.647307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1415.647307 (E_RNA) where: Base-Base interactions energy: -973.824 where: short stacking energy: -428.884 Base-Backbone interact. energy: -0.090 local terms energy: -441.733597 where: bonds (distance) C4'-P energy: -82.059 bonds (distance) P-C4' energy: -82.976 flat angles C4'-P-C4' energy: -89.354 flat angles P-C4'-P energy: -67.332 tors. eta vs tors. theta energy: -120.013 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: 1 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -1335.925907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.925907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.925907 (E_RNA) where: Base-Base interactions energy: -936.387 where: short stacking energy: -398.879 Base-Backbone interact. energy: 0.126 local terms energy: -399.664237 where: bonds (distance) C4'-P energy: -68.900 bonds (distance) P-C4' energy: -70.786 flat angles C4'-P-C4' energy: -92.833 flat angles P-C4'-P energy: -56.687 tors. eta vs tors. theta energy: -110.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -1060.694546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.694546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.694546 (E_RNA) where: Base-Base interactions energy: -689.777 where: short stacking energy: -300.412 Base-Backbone interact. energy: -2.141 local terms energy: -368.776430 where: bonds (distance) C4'-P energy: -77.323 bonds (distance) P-C4' energy: -92.905 flat angles C4'-P-C4' energy: -72.237 flat angles P-C4'-P energy: -56.098 tors. eta vs tors. theta energy: -70.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -921.455013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.455013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.455013 (E_RNA) where: Base-Base interactions energy: -544.270 where: short stacking energy: -241.240 Base-Backbone interact. energy: -0.977 local terms energy: -376.207804 where: bonds (distance) C4'-P energy: -96.499 bonds (distance) P-C4' energy: -101.650 flat angles C4'-P-C4' energy: -81.772 flat angles P-C4'-P energy: -47.909 tors. eta vs tors. theta energy: -48.378 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: 10, replica: 10 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -759.868970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.868970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.868970 (E_RNA) where: Base-Base interactions energy: -447.425 where: short stacking energy: -223.806 Base-Backbone interact. energy: -0.407 local terms energy: -312.037032 where: bonds (distance) C4'-P energy: -72.184 bonds (distance) P-C4' energy: -102.613 flat angles C4'-P-C4' energy: -67.858 flat angles P-C4'-P energy: -39.511 tors. eta vs tors. theta energy: -29.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1866.069582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.069582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.069582 (E_RNA) where: Base-Base interactions energy: -1327.592 where: short stacking energy: -553.452 Base-Backbone interact. energy: 1.420 local terms energy: -539.897919 where: bonds (distance) C4'-P energy: -100.875 bonds (distance) P-C4' energy: -100.321 flat angles C4'-P-C4' energy: -115.136 flat angles P-C4'-P energy: -66.385 tors. eta vs tors. theta energy: -157.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1762.108462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1762.108462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1762.108462 (E_RNA) where: Base-Base interactions energy: -1237.393 where: short stacking energy: -529.404 Base-Backbone interact. energy: -3.686 local terms energy: -521.029353 where: bonds (distance) C4'-P energy: -99.869 bonds (distance) P-C4' energy: -85.240 flat angles C4'-P-C4' energy: -108.418 flat angles P-C4'-P energy: -87.122 tors. eta vs tors. theta energy: -140.380 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: 8 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1732.196799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.196799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.196799 (E_RNA) where: Base-Base interactions energy: -1225.060 where: short stacking energy: -533.040 Base-Backbone interact. energy: -2.309 local terms energy: -504.828130 where: bonds (distance) C4'-P energy: -84.814 bonds (distance) P-C4' energy: -88.908 flat angles C4'-P-C4' energy: -106.677 flat angles P-C4'-P energy: -68.662 tors. eta vs tors. theta energy: -155.768 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: 3 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1615.538733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.538733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.538733 (E_RNA) where: Base-Base interactions energy: -1149.469 where: short stacking energy: -494.313 Base-Backbone interact. energy: -2.607 local terms energy: -463.462802 where: bonds (distance) C4'-P energy: -79.209 bonds (distance) P-C4' energy: -91.545 flat angles C4'-P-C4' energy: -99.607 flat angles P-C4'-P energy: -57.436 tors. eta vs tors. theta energy: -135.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -1549.864503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.864503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.864503 (E_RNA) where: Base-Base interactions energy: -1086.941 where: short stacking energy: -460.263 Base-Backbone interact. energy: -3.458 local terms energy: -459.465415 where: bonds (distance) C4'-P energy: -92.125 bonds (distance) P-C4' energy: -86.050 flat angles C4'-P-C4' energy: -102.269 flat angles P-C4'-P energy: -61.494 tors. eta vs tors. theta energy: -117.528 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: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -1393.180673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1393.180673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1393.180673 (E_RNA) where: Base-Base interactions energy: -961.534 where: short stacking energy: -415.392 Base-Backbone interact. energy: 4.951 local terms energy: -436.597620 where: bonds (distance) C4'-P energy: -90.033 bonds (distance) P-C4' energy: -73.584 flat angles C4'-P-C4' energy: -94.082 flat angles P-C4'-P energy: -62.593 tors. eta vs tors. theta energy: -116.306 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: 7, replica: 1 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -1288.065619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.065619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.065619 (E_RNA) where: Base-Base interactions energy: -874.302 where: short stacking energy: -380.291 Base-Backbone interact. energy: 0.008 local terms energy: -413.772012 where: bonds (distance) C4'-P energy: -86.037 bonds (distance) P-C4' energy: -89.534 flat angles C4'-P-C4' energy: -82.370 flat angles P-C4'-P energy: -57.028 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: 8, replica: 4 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -1073.746974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.746974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.746974 (E_RNA) where: Base-Base interactions energy: -700.133 where: short stacking energy: -336.231 Base-Backbone interact. energy: -0.786 local terms energy: -372.828455 where: bonds (distance) C4'-P energy: -66.393 bonds (distance) P-C4' energy: -83.350 flat angles C4'-P-C4' energy: -92.408 flat angles P-C4'-P energy: -49.484 tors. eta vs tors. theta energy: -81.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -858.046973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.046973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.046973 (E_RNA) where: Base-Base interactions energy: -517.397 where: short stacking energy: -240.708 Base-Backbone interact. energy: 1.729 local terms energy: -342.379548 where: bonds (distance) C4'-P energy: -81.888 bonds (distance) P-C4' energy: -90.436 flat angles C4'-P-C4' energy: -78.658 flat angles P-C4'-P energy: -57.864 tors. eta vs tors. theta energy: -33.534 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: 415 Temperature: 1.350000 Total energy: -803.418059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.418059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.418059 (E_RNA) where: Base-Base interactions energy: -516.025 where: short stacking energy: -226.815 Base-Backbone interact. energy: -0.409 local terms energy: -286.984275 where: bonds (distance) C4'-P energy: -76.790 bonds (distance) P-C4' energy: -72.551 flat angles C4'-P-C4' energy: -64.686 flat angles P-C4'-P energy: -47.997 tors. eta vs tors. theta energy: -24.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1850.958833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1850.958833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1850.958833 (E_RNA) where: Base-Base interactions energy: -1328.366 where: short stacking energy: -563.201 Base-Backbone interact. energy: 1.014 local terms energy: -523.606903 where: bonds (distance) C4'-P energy: -86.312 bonds (distance) P-C4' energy: -92.093 flat angles C4'-P-C4' energy: -109.803 flat angles P-C4'-P energy: -73.539 tors. eta vs tors. theta energy: -161.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1779.855427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.855427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.855427 (E_RNA) where: Base-Base interactions energy: -1246.453 where: short stacking energy: -537.460 Base-Backbone interact. energy: -1.581 local terms energy: -531.821779 where: bonds (distance) C4'-P energy: -94.935 bonds (distance) P-C4' energy: -95.326 flat angles C4'-P-C4' energy: -110.849 flat angles P-C4'-P energy: -74.199 tors. eta vs tors. theta energy: -156.512 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: 8 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1733.882478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.882478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.882478 (E_RNA) where: Base-Base interactions energy: -1200.746 where: short stacking energy: -506.347 Base-Backbone interact. energy: -1.810 local terms energy: -531.326986 where: bonds (distance) C4'-P energy: -91.920 bonds (distance) P-C4' energy: -112.445 flat angles C4'-P-C4' energy: -104.733 flat angles P-C4'-P energy: -69.893 tors. eta vs tors. theta energy: -152.336 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: 3 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1605.286117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1605.286117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1605.286117 (E_RNA) where: Base-Base interactions energy: -1120.231 where: short stacking energy: -469.168 Base-Backbone interact. energy: 1.158 local terms energy: -486.212877 where: bonds (distance) C4'-P energy: -90.694 bonds (distance) P-C4' energy: -84.776 flat angles C4'-P-C4' energy: -102.191 flat angles P-C4'-P energy: -70.996 tors. eta vs tors. theta energy: -137.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -1512.524980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.524980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.524980 (E_RNA) where: Base-Base interactions energy: -1050.471 where: short stacking energy: -449.425 Base-Backbone interact. energy: -1.604 local terms energy: -460.450180 where: bonds (distance) C4'-P energy: -85.130 bonds (distance) P-C4' energy: -96.001 flat angles C4'-P-C4' energy: -97.850 flat angles P-C4'-P energy: -69.081 tors. eta vs tors. theta energy: -112.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -1405.753087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.753087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.753087 (E_RNA) where: Base-Base interactions energy: -989.894 where: short stacking energy: -432.198 Base-Backbone interact. energy: -1.129 local terms energy: -414.729789 where: bonds (distance) C4'-P energy: -69.777 bonds (distance) P-C4' energy: -85.299 flat angles C4'-P-C4' energy: -92.032 flat angles P-C4'-P energy: -53.644 tors. eta vs tors. theta energy: -113.978 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: 7, replica: 1 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -1290.831575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.831575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.831575 (E_RNA) where: Base-Base interactions energy: -862.721 where: short stacking energy: -363.368 Base-Backbone interact. energy: -1.469 local terms energy: -426.641111 where: bonds (distance) C4'-P energy: -90.198 bonds (distance) P-C4' energy: -84.523 flat angles C4'-P-C4' energy: -92.096 flat angles P-C4'-P energy: -66.829 tors. eta vs tors. theta energy: -92.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -1036.934576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.934576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.934576 (E_RNA) where: Base-Base interactions energy: -696.624 where: short stacking energy: -317.441 Base-Backbone interact. energy: 0.666 local terms energy: -340.976561 where: bonds (distance) C4'-P energy: -71.606 bonds (distance) P-C4' energy: -81.380 flat angles C4'-P-C4' energy: -77.302 flat angles P-C4'-P energy: -44.208 tors. eta vs tors. theta energy: -66.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -908.438027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.438027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.438027 (E_RNA) where: Base-Base interactions energy: -564.816 where: short stacking energy: -280.096 Base-Backbone interact. energy: -0.012 local terms energy: -343.610228 where: bonds (distance) C4'-P energy: -83.446 bonds (distance) P-C4' energy: -79.486 flat angles C4'-P-C4' energy: -81.486 flat angles P-C4'-P energy: -52.897 tors. eta vs tors. theta energy: -46.295 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: 416 Temperature: 1.350000 Total energy: -796.887740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.887740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.887740 (E_RNA) where: Base-Base interactions energy: -513.661 where: short stacking energy: -237.525 Base-Backbone interact. energy: 1.717 local terms energy: -284.943784 where: bonds (distance) C4'-P energy: -85.565 bonds (distance) P-C4' energy: -71.273 flat angles C4'-P-C4' energy: -60.641 flat angles P-C4'-P energy: -30.626 tors. eta vs tors. theta energy: -36.839 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: 6 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1875.356565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.356565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.356565 (E_RNA) where: Base-Base interactions energy: -1314.416 where: short stacking energy: -547.317 Base-Backbone interact. energy: -1.527 local terms energy: -559.412793 where: bonds (distance) C4'-P energy: -101.570 bonds (distance) P-C4' energy: -104.948 flat angles C4'-P-C4' energy: -112.024 flat angles P-C4'-P energy: -82.222 tors. eta vs tors. theta energy: -158.649 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: 417 Temperature: 0.950000 Total energy: -1794.151763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.151763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.151763 (E_RNA) where: Base-Base interactions energy: -1248.103 where: short stacking energy: -531.134 Base-Backbone interact. energy: -2.050 local terms energy: -543.999321 where: bonds (distance) C4'-P energy: -94.277 bonds (distance) P-C4' energy: -100.290 flat angles C4'-P-C4' energy: -112.904 flat angles P-C4'-P energy: -74.145 tors. eta vs tors. theta energy: -162.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1711.248922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1711.248922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1711.248922 (E_RNA) where: Base-Base interactions energy: -1200.540 where: short stacking energy: -520.760 Base-Backbone interact. energy: -2.425 local terms energy: -508.283848 where: bonds (distance) C4'-P energy: -87.245 bonds (distance) P-C4' energy: -96.204 flat angles C4'-P-C4' energy: -100.606 flat angles P-C4'-P energy: -78.989 tors. eta vs tors. theta energy: -145.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -1573.918760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1573.918760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1573.918760 (E_RNA) where: Base-Base interactions energy: -1087.038 where: short stacking energy: -473.413 Base-Backbone interact. energy: -2.573 local terms energy: -484.307550 where: bonds (distance) C4'-P energy: -81.337 bonds (distance) P-C4' energy: -89.163 flat angles C4'-P-C4' energy: -98.937 flat angles P-C4'-P energy: -68.833 tors. eta vs tors. theta energy: -146.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -1501.054183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1501.054183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1501.054183 (E_RNA) where: Base-Base interactions energy: -1048.921 where: short stacking energy: -452.133 Base-Backbone interact. energy: 3.911 local terms energy: -456.043797 where: bonds (distance) C4'-P energy: -88.690 bonds (distance) P-C4' energy: -80.593 flat angles C4'-P-C4' energy: -109.451 flat angles P-C4'-P energy: -58.736 tors. eta vs tors. theta energy: -118.574 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: 9 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -1395.592376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1395.592376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1395.592376 (E_RNA) where: Base-Base interactions energy: -988.574 where: short stacking energy: -436.129 Base-Backbone interact. energy: 0.488 local terms energy: -407.505984 where: bonds (distance) C4'-P energy: -80.116 bonds (distance) P-C4' energy: -76.787 flat angles C4'-P-C4' energy: -77.529 flat angles P-C4'-P energy: -64.450 tors. eta vs tors. theta energy: -108.624 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: 1 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -1292.327692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1292.327692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1292.327692 (E_RNA) where: Base-Base interactions energy: -878.010 where: short stacking energy: -361.350 Base-Backbone interact. energy: -4.302 local terms energy: -410.016126 where: bonds (distance) C4'-P energy: -77.975 bonds (distance) P-C4' energy: -84.493 flat angles C4'-P-C4' energy: -92.733 flat angles P-C4'-P energy: -55.828 tors. eta vs tors. theta energy: -98.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -1022.245665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.245665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.245665 (E_RNA) where: Base-Base interactions energy: -657.218 where: short stacking energy: -307.333 Base-Backbone interact. energy: -1.832 local terms energy: -363.196183 where: bonds (distance) C4'-P energy: -81.535 bonds (distance) P-C4' energy: -95.340 flat angles C4'-P-C4' energy: -77.161 flat angles P-C4'-P energy: -43.706 tors. eta vs tors. theta energy: -65.453 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: 2 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -906.829097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.829097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.829097 (E_RNA) where: Base-Base interactions energy: -580.208 where: short stacking energy: -266.264 Base-Backbone interact. energy: -0.720 local terms energy: -325.901243 where: bonds (distance) C4'-P energy: -91.153 bonds (distance) P-C4' energy: -65.591 flat angles C4'-P-C4' energy: -71.452 flat angles P-C4'-P energy: -48.571 tors. eta vs tors. theta energy: -49.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -798.351063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.351063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.351063 (E_RNA) where: Base-Base interactions energy: -482.374 where: short stacking energy: -224.544 Base-Backbone interact. energy: 4.480 local terms energy: -320.456715 where: bonds (distance) C4'-P energy: -82.501 bonds (distance) P-C4' energy: -96.901 flat angles C4'-P-C4' energy: -74.447 flat angles P-C4'-P energy: -49.648 tors. eta vs tors. theta energy: -16.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1889.882421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1889.882421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1889.882421 (E_RNA) where: Base-Base interactions energy: -1325.152 where: short stacking energy: -557.903 Base-Backbone interact. energy: -0.411 local terms energy: -564.319261 where: bonds (distance) C4'-P energy: -99.234 bonds (distance) P-C4' energy: -104.215 flat angles C4'-P-C4' energy: -116.233 flat angles P-C4'-P energy: -86.780 tors. eta vs tors. theta energy: -157.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1752.105852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.105852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.105852 (E_RNA) where: Base-Base interactions energy: -1225.037 where: short stacking energy: -527.632 Base-Backbone interact. energy: -2.307 local terms energy: -524.761806 where: bonds (distance) C4'-P energy: -89.309 bonds (distance) P-C4' energy: -88.990 flat angles C4'-P-C4' energy: -116.951 flat angles P-C4'-P energy: -80.118 tors. eta vs tors. theta energy: -149.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1722.002467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.002467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.002467 (E_RNA) where: Base-Base interactions energy: -1203.719 where: short stacking energy: -512.586 Base-Backbone interact. energy: -2.097 local terms energy: -516.185681 where: bonds (distance) C4'-P energy: -98.673 bonds (distance) P-C4' energy: -83.748 flat angles C4'-P-C4' energy: -114.976 flat angles P-C4'-P energy: -70.923 tors. eta vs tors. theta energy: -147.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1568.292447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.292447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.292447 (E_RNA) where: Base-Base interactions energy: -1083.241 where: short stacking energy: -482.306 Base-Backbone interact. energy: 1.971 local terms energy: -487.021790 where: bonds (distance) C4'-P energy: -73.217 bonds (distance) P-C4' energy: -96.757 flat angles C4'-P-C4' energy: -102.698 flat angles P-C4'-P energy: -77.811 tors. eta vs tors. theta energy: -136.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -1513.506286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1513.506286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1513.506286 (E_RNA) where: Base-Base interactions energy: -1061.302 where: short stacking energy: -455.256 Base-Backbone interact. energy: -1.434 local terms energy: -450.770050 where: bonds (distance) C4'-P energy: -82.668 bonds (distance) P-C4' energy: -74.774 flat angles C4'-P-C4' energy: -103.865 flat angles P-C4'-P energy: -65.235 tors. eta vs tors. theta energy: -124.229 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: 9 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -1397.317942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1397.317942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1397.317942 (E_RNA) where: Base-Base interactions energy: -982.984 where: short stacking energy: -419.347 Base-Backbone interact. energy: 2.006 local terms energy: -416.339035 where: bonds (distance) C4'-P energy: -74.425 bonds (distance) P-C4' energy: -81.005 flat angles C4'-P-C4' energy: -98.874 flat angles P-C4'-P energy: -58.378 tors. eta vs tors. theta energy: -103.657 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: 1 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -1281.024681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.024681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.024681 (E_RNA) where: Base-Base interactions energy: -876.938 where: short stacking energy: -382.550 Base-Backbone interact. energy: -2.318 local terms energy: -401.768735 where: bonds (distance) C4'-P energy: -85.936 bonds (distance) P-C4' energy: -77.303 flat angles C4'-P-C4' energy: -78.740 flat angles P-C4'-P energy: -58.300 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: 8, replica: 4 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -1052.883571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.883571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.883571 (E_RNA) where: Base-Base interactions energy: -712.962 where: short stacking energy: -334.385 Base-Backbone interact. energy: -1.059 local terms energy: -338.862575 where: bonds (distance) C4'-P energy: -74.827 bonds (distance) P-C4' energy: -89.479 flat angles C4'-P-C4' energy: -76.105 flat angles P-C4'-P energy: -38.766 tors. eta vs tors. theta energy: -59.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -993.822507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.822507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.822507 (E_RNA) where: Base-Base interactions energy: -641.578 where: short stacking energy: -291.182 Base-Backbone interact. energy: -1.520 local terms energy: -350.724641 where: bonds (distance) C4'-P energy: -84.073 bonds (distance) P-C4' energy: -84.821 flat angles C4'-P-C4' energy: -92.620 flat angles P-C4'-P energy: -39.462 tors. eta vs tors. theta energy: -49.749 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: 418 Temperature: 1.350000 Total energy: -722.915688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.915688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.915688 (E_RNA) where: Base-Base interactions energy: -418.912 where: short stacking energy: -206.990 Base-Backbone interact. energy: 3.070 local terms energy: -307.073321 where: bonds (distance) C4'-P energy: -74.295 bonds (distance) P-C4' energy: -88.268 flat angles C4'-P-C4' energy: -82.318 flat angles P-C4'-P energy: -41.740 tors. eta vs tors. theta energy: -20.453 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: 6 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1860.376600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.376600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.376600 (E_RNA) where: Base-Base interactions energy: -1328.605 where: short stacking energy: -562.589 Base-Backbone interact. energy: -1.009 local terms energy: -530.763021 where: bonds (distance) C4'-P energy: -83.359 bonds (distance) P-C4' energy: -92.777 flat angles C4'-P-C4' energy: -114.826 flat angles P-C4'-P energy: -74.793 tors. eta vs tors. theta energy: -165.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1748.555199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1748.555199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1748.555199 (E_RNA) where: Base-Base interactions energy: -1233.470 where: short stacking energy: -524.550 Base-Backbone interact. energy: -5.378 local terms energy: -509.707187 where: bonds (distance) C4'-P energy: -96.183 bonds (distance) P-C4' energy: -80.858 flat angles C4'-P-C4' energy: -104.470 flat angles P-C4'-P energy: -84.942 tors. eta vs tors. theta energy: -143.254 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: 8 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1722.501162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.501162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.501162 (E_RNA) where: Base-Base interactions energy: -1197.710 where: short stacking energy: -524.881 Base-Backbone interact. energy: -3.216 local terms energy: -521.575578 where: bonds (distance) C4'-P energy: -94.665 bonds (distance) P-C4' energy: -90.538 flat angles C4'-P-C4' energy: -110.584 flat angles P-C4'-P energy: -76.572 tors. eta vs tors. theta energy: -149.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -1581.689633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1581.689633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1581.689633 (E_RNA) where: Base-Base interactions energy: -1092.626 where: short stacking energy: -482.116 Base-Backbone interact. energy: -0.107 local terms energy: -488.956552 where: bonds (distance) C4'-P energy: -99.745 bonds (distance) P-C4' energy: -89.785 flat angles C4'-P-C4' energy: -97.766 flat angles P-C4'-P energy: -67.963 tors. eta vs tors. theta energy: -133.698 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: 7 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -1530.529165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1530.529165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1530.529165 (E_RNA) where: Base-Base interactions energy: -1076.012 where: short stacking energy: -454.546 Base-Backbone interact. energy: 1.571 local terms energy: -456.088500 where: bonds (distance) C4'-P energy: -82.586 bonds (distance) P-C4' energy: -82.785 flat angles C4'-P-C4' energy: -107.377 flat angles P-C4'-P energy: -72.996 tors. eta vs tors. theta energy: -110.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -1424.732169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1424.732169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1424.732169 (E_RNA) where: Base-Base interactions energy: -991.660 where: short stacking energy: -435.698 Base-Backbone interact. energy: -0.516 local terms energy: -432.555305 where: bonds (distance) C4'-P energy: -79.767 bonds (distance) P-C4' energy: -76.696 flat angles C4'-P-C4' energy: -91.948 flat angles P-C4'-P energy: -68.654 tors. eta vs tors. theta energy: -115.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -1339.431273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1339.431273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1339.431273 (E_RNA) where: Base-Base interactions energy: -916.295 where: short stacking energy: -396.444 Base-Backbone interact. energy: -1.665 local terms energy: -421.471297 where: bonds (distance) C4'-P energy: -68.056 bonds (distance) P-C4' energy: -91.891 flat angles C4'-P-C4' energy: -95.611 flat angles P-C4'-P energy: -53.948 tors. eta vs tors. theta energy: -111.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -1030.057080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.057080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.057080 (E_RNA) where: Base-Base interactions energy: -662.564 where: short stacking energy: -277.813 Base-Backbone interact. energy: -2.674 local terms energy: -364.818823 where: bonds (distance) C4'-P energy: -93.941 bonds (distance) P-C4' energy: -70.766 flat angles C4'-P-C4' energy: -80.682 flat angles P-C4'-P energy: -59.443 tors. eta vs tors. theta energy: -59.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -896.468217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.468217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.468217 (E_RNA) where: Base-Base interactions energy: -599.235 where: short stacking energy: -256.614 Base-Backbone interact. energy: 4.165 local terms energy: -301.398937 where: bonds (distance) C4'-P energy: -62.209 bonds (distance) P-C4' energy: -75.191 flat angles C4'-P-C4' energy: -83.272 flat angles P-C4'-P energy: -40.727 tors. eta vs tors. theta energy: -40.001 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: 419 Temperature: 1.350000 Total energy: -715.838140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.838140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.838140 (E_RNA) where: Base-Base interactions energy: -405.629 where: short stacking energy: -188.535 Base-Backbone interact. energy: -0.999 local terms energy: -309.210695 where: bonds (distance) C4'-P energy: -67.176 bonds (distance) P-C4' energy: -93.255 flat angles C4'-P-C4' energy: -87.452 flat angles P-C4'-P energy: -35.359 tors. eta vs tors. theta energy: -25.968 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: 1, replica: 6 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1849.931949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1849.931949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1849.931949 (E_RNA) where: Base-Base interactions energy: -1299.256 where: short stacking energy: -556.432 Base-Backbone interact. energy: -0.419 local terms energy: -550.256456 where: bonds (distance) C4'-P energy: -103.199 bonds (distance) P-C4' energy: -99.429 flat angles C4'-P-C4' energy: -109.469 flat angles P-C4'-P energy: -80.592 tors. eta vs tors. theta energy: -157.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1765.742617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1765.742617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1765.742617 (E_RNA) where: Base-Base interactions energy: -1236.000 where: short stacking energy: -529.505 Base-Backbone interact. energy: -5.153 local terms energy: -524.589806 where: bonds (distance) C4'-P energy: -94.425 bonds (distance) P-C4' energy: -87.888 flat angles C4'-P-C4' energy: -117.202 flat angles P-C4'-P energy: -80.155 tors. eta vs tors. theta energy: -144.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1698.065114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1698.065114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1698.065114 (E_RNA) where: Base-Base interactions energy: -1170.083 where: short stacking energy: -505.173 Base-Backbone interact. energy: -2.043 local terms energy: -525.939028 where: bonds (distance) C4'-P energy: -104.777 bonds (distance) P-C4' energy: -86.184 flat angles C4'-P-C4' energy: -105.389 flat angles P-C4'-P energy: -82.044 tors. eta vs tors. theta energy: -147.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -1550.015705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.015705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.015705 (E_RNA) where: Base-Base interactions energy: -1083.112 where: short stacking energy: -470.704 Base-Backbone interact. energy: -2.932 local terms energy: -463.972097 where: bonds (distance) C4'-P energy: -78.770 bonds (distance) P-C4' energy: -86.967 flat angles C4'-P-C4' energy: -95.994 flat angles P-C4'-P energy: -76.426 tors. eta vs tors. theta energy: -125.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -1549.475642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1549.475642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1549.475642 (E_RNA) where: Base-Base interactions energy: -1064.392 where: short stacking energy: -459.179 Base-Backbone interact. energy: 2.659 local terms energy: -487.741903 where: bonds (distance) C4'-P energy: -82.595 bonds (distance) P-C4' energy: -101.066 flat angles C4'-P-C4' energy: -108.850 flat angles P-C4'-P energy: -72.241 tors. eta vs tors. theta energy: -122.990 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: 6, replica: 9 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -1403.187956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.187956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.187956 (E_RNA) where: Base-Base interactions energy: -970.934 where: short stacking energy: -419.060 Base-Backbone interact. energy: 7.433 local terms energy: -439.687090 where: bonds (distance) C4'-P energy: -83.428 bonds (distance) P-C4' energy: -80.562 flat angles C4'-P-C4' energy: -101.945 flat angles P-C4'-P energy: -61.724 tors. eta vs tors. theta energy: -112.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -1310.872614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.872614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.872614 (E_RNA) where: Base-Base interactions energy: -896.567 where: short stacking energy: -371.739 Base-Backbone interact. energy: -1.889 local terms energy: -412.416567 where: bonds (distance) C4'-P energy: -83.773 bonds (distance) P-C4' energy: -91.272 flat angles C4'-P-C4' energy: -87.862 flat angles P-C4'-P energy: -55.971 tors. eta vs tors. theta energy: -93.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -1071.396438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.396438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.396438 (E_RNA) where: Base-Base interactions energy: -713.472 where: short stacking energy: -305.307 Base-Backbone interact. energy: 1.794 local terms energy: -359.718462 where: bonds (distance) C4'-P energy: -67.821 bonds (distance) P-C4' energy: -84.920 flat angles C4'-P-C4' energy: -82.636 flat angles P-C4'-P energy: -57.876 tors. eta vs tors. theta energy: -66.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -868.763789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.763789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.763789 (E_RNA) where: Base-Base interactions energy: -541.683 where: short stacking energy: -230.228 Base-Backbone interact. energy: 7.816 local terms energy: -334.897162 where: bonds (distance) C4'-P energy: -86.118 bonds (distance) P-C4' energy: -83.929 flat angles C4'-P-C4' energy: -79.055 flat angles P-C4'-P energy: -57.922 tors. eta vs tors. theta energy: -27.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -717.824178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.824178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.824178 (E_RNA) where: Base-Base interactions energy: -436.509 where: short stacking energy: -207.581 Base-Backbone interact. energy: -1.527 local terms energy: -279.788531 where: bonds (distance) C4'-P energy: -72.629 bonds (distance) P-C4' energy: -78.920 flat angles C4'-P-C4' energy: -71.135 flat angles P-C4'-P energy: -39.311 tors. eta vs tors. theta energy: -17.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1844.243029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1844.243029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1844.243029 (E_RNA) where: Base-Base interactions energy: -1302.780 where: short stacking energy: -554.415 Base-Backbone interact. energy: -0.704 local terms energy: -540.759636 where: bonds (distance) C4'-P energy: -88.151 bonds (distance) P-C4' energy: -89.735 flat angles C4'-P-C4' energy: -120.366 flat angles P-C4'-P energy: -83.180 tors. eta vs tors. theta energy: -159.327 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: 5 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1781.818879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.818879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.818879 (E_RNA) where: Base-Base interactions energy: -1253.836 where: short stacking energy: -522.995 Base-Backbone interact. energy: -1.452 local terms energy: -526.530406 where: bonds (distance) C4'-P energy: -92.341 bonds (distance) P-C4' energy: -93.059 flat angles C4'-P-C4' energy: -109.231 flat angles P-C4'-P energy: -80.405 tors. eta vs tors. theta energy: -151.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1733.959475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1733.959475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1733.959475 (E_RNA) where: Base-Base interactions energy: -1220.244 where: short stacking energy: -527.726 Base-Backbone interact. energy: -1.993 local terms energy: -511.722522 where: bonds (distance) C4'-P energy: -77.761 bonds (distance) P-C4' energy: -96.486 flat angles C4'-P-C4' energy: -102.965 flat angles P-C4'-P energy: -84.906 tors. eta vs tors. theta energy: -149.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -1614.900212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1614.900212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1614.900212 (E_RNA) where: Base-Base interactions energy: -1156.927 where: short stacking energy: -470.225 Base-Backbone interact. energy: -2.216 local terms energy: -455.756790 where: bonds (distance) C4'-P energy: -75.894 bonds (distance) P-C4' energy: -98.321 flat angles C4'-P-C4' energy: -94.871 flat angles P-C4'-P energy: -62.036 tors. eta vs tors. theta energy: -124.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -1550.820614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.820614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.820614 (E_RNA) where: Base-Base interactions energy: -1086.787 where: short stacking energy: -459.168 Base-Backbone interact. energy: -3.309 local terms energy: -460.724607 where: bonds (distance) C4'-P energy: -87.735 bonds (distance) P-C4' energy: -83.444 flat angles C4'-P-C4' energy: -100.740 flat angles P-C4'-P energy: -64.566 tors. eta vs tors. theta energy: -124.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -1418.561288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1418.561288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1418.561288 (E_RNA) where: Base-Base interactions energy: -991.795 where: short stacking energy: -422.602 Base-Backbone interact. energy: -2.610 local terms energy: -424.156399 where: bonds (distance) C4'-P energy: -83.136 bonds (distance) P-C4' energy: -94.632 flat angles C4'-P-C4' energy: -88.348 flat angles P-C4'-P energy: -50.565 tors. eta vs tors. theta energy: -107.475 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: 7, replica: 1 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -1308.003366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1308.003366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1308.003366 (E_RNA) where: Base-Base interactions energy: -890.838 where: short stacking energy: -380.727 Base-Backbone interact. energy: -0.949 local terms energy: -416.216518 where: bonds (distance) C4'-P energy: -71.935 bonds (distance) P-C4' energy: -86.971 flat angles C4'-P-C4' energy: -97.655 flat angles P-C4'-P energy: -55.051 tors. eta vs tors. theta energy: -104.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -1092.718414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.718414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.718414 (E_RNA) where: Base-Base interactions energy: -732.742 where: short stacking energy: -328.878 Base-Backbone interact. energy: 0.844 local terms energy: -360.820393 where: bonds (distance) C4'-P energy: -67.115 bonds (distance) P-C4' energy: -83.917 flat angles C4'-P-C4' energy: -95.172 flat angles P-C4'-P energy: -44.486 tors. eta vs tors. theta energy: -70.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -871.188561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.188561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.188561 (E_RNA) where: Base-Base interactions energy: -562.834 where: short stacking energy: -236.773 Base-Backbone interact. energy: -2.126 local terms energy: -306.229017 where: bonds (distance) C4'-P energy: -76.577 bonds (distance) P-C4' energy: -91.393 flat angles C4'-P-C4' energy: -61.364 flat angles P-C4'-P energy: -37.291 tors. eta vs tors. theta energy: -39.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -722.407459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.407459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.407459 (E_RNA) where: Base-Base interactions energy: -430.872 where: short stacking energy: -210.719 Base-Backbone interact. energy: 0.340 local terms energy: -291.876145 where: bonds (distance) C4'-P energy: -87.382 bonds (distance) P-C4' energy: -83.491 flat angles C4'-P-C4' energy: -61.687 flat angles P-C4'-P energy: -36.653 tors. eta vs tors. theta energy: -22.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1875.199785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.199785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.199785 (E_RNA) where: Base-Base interactions energy: -1331.233 where: short stacking energy: -570.149 Base-Backbone interact. energy: -1.419 local terms energy: -542.547836 where: bonds (distance) C4'-P energy: -95.311 bonds (distance) P-C4' energy: -95.510 flat angles C4'-P-C4' energy: -114.705 flat angles P-C4'-P energy: -83.133 tors. eta vs tors. theta energy: -153.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1763.171139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1763.171139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1763.171139 (E_RNA) where: Base-Base interactions energy: -1233.912 where: short stacking energy: -531.672 Base-Backbone interact. energy: -2.352 local terms energy: -526.907549 where: bonds (distance) C4'-P energy: -88.330 bonds (distance) P-C4' energy: -101.378 flat angles C4'-P-C4' energy: -113.297 flat angles P-C4'-P energy: -75.525 tors. eta vs tors. theta energy: -148.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1685.679101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1685.679101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1685.679101 (E_RNA) where: Base-Base interactions energy: -1185.512 where: short stacking energy: -503.093 Base-Backbone interact. energy: 0.534 local terms energy: -500.700879 where: bonds (distance) C4'-P energy: -83.345 bonds (distance) P-C4' energy: -94.860 flat angles C4'-P-C4' energy: -104.831 flat angles P-C4'-P energy: -73.316 tors. eta vs tors. theta energy: -144.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1609.110095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.110095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.110095 (E_RNA) where: Base-Base interactions energy: -1125.560 where: short stacking energy: -479.159 Base-Backbone interact. energy: -2.588 local terms energy: -480.962423 where: bonds (distance) C4'-P energy: -97.754 bonds (distance) P-C4' energy: -72.536 flat angles C4'-P-C4' energy: -108.439 flat angles P-C4'-P energy: -65.701 tors. eta vs tors. theta energy: -136.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -1535.996893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1535.996893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1535.996893 (E_RNA) where: Base-Base interactions energy: -1056.929 where: short stacking energy: -442.415 Base-Backbone interact. energy: -2.436 local terms energy: -476.631855 where: bonds (distance) C4'-P energy: -89.968 bonds (distance) P-C4' energy: -97.451 flat angles C4'-P-C4' energy: -112.648 flat angles P-C4'-P energy: -60.026 tors. eta vs tors. theta energy: -116.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -1381.529359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1381.529359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1381.529359 (E_RNA) where: Base-Base interactions energy: -953.976 where: short stacking energy: -399.144 Base-Backbone interact. energy: -1.546 local terms energy: -426.006642 where: bonds (distance) C4'-P energy: -74.656 bonds (distance) P-C4' energy: -90.892 flat angles C4'-P-C4' energy: -100.560 flat angles P-C4'-P energy: -51.349 tors. eta vs tors. theta energy: -108.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -1272.326610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1272.326610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1272.326610 (E_RNA) where: Base-Base interactions energy: -858.650 where: short stacking energy: -352.561 Base-Backbone interact. energy: -1.847 local terms energy: -411.829382 where: bonds (distance) C4'-P energy: -68.421 bonds (distance) P-C4' energy: -85.369 flat angles C4'-P-C4' energy: -93.801 flat angles P-C4'-P energy: -62.529 tors. eta vs tors. theta energy: -101.710 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: 4 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -1000.900571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.900571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.900571 (E_RNA) where: Base-Base interactions energy: -629.463 where: short stacking energy: -297.337 Base-Backbone interact. energy: 2.032 local terms energy: -373.469182 where: bonds (distance) C4'-P energy: -85.038 bonds (distance) P-C4' energy: -95.728 flat angles C4'-P-C4' energy: -81.821 flat angles P-C4'-P energy: -46.475 tors. eta vs tors. theta energy: -64.408 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: 9, replica: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -869.750239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.750239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.750239 (E_RNA) where: Base-Base interactions energy: -537.459 where: short stacking energy: -252.799 Base-Backbone interact. energy: -0.580 local terms energy: -331.711629 where: bonds (distance) C4'-P energy: -94.014 bonds (distance) P-C4' energy: -74.978 flat angles C4'-P-C4' energy: -75.740 flat angles P-C4'-P energy: -52.239 tors. eta vs tors. theta energy: -34.740 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: 10 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -717.039403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.039403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.039403 (E_RNA) where: Base-Base interactions energy: -427.726 where: short stacking energy: -195.796 Base-Backbone interact. energy: 2.534 local terms energy: -291.846901 where: bonds (distance) C4'-P energy: -84.009 bonds (distance) P-C4' energy: -66.551 flat angles C4'-P-C4' energy: -82.137 flat angles P-C4'-P energy: -50.983 tors. eta vs tors. theta energy: -8.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1870.328086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.328086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.328086 (E_RNA) where: Base-Base interactions energy: -1316.047 where: short stacking energy: -547.498 Base-Backbone interact. energy: -1.315 local terms energy: -552.966434 where: bonds (distance) C4'-P energy: -103.325 bonds (distance) P-C4' energy: -106.437 flat angles C4'-P-C4' energy: -120.585 flat angles P-C4'-P energy: -67.515 tors. eta vs tors. theta energy: -155.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1778.466469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1778.466469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1778.466469 (E_RNA) where: Base-Base interactions energy: -1258.745 where: short stacking energy: -512.683 Base-Backbone interact. energy: -3.949 local terms energy: -515.772300 where: bonds (distance) C4'-P energy: -98.148 bonds (distance) P-C4' energy: -98.053 flat angles C4'-P-C4' energy: -107.854 flat angles P-C4'-P energy: -70.406 tors. eta vs tors. theta energy: -141.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1715.135744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.135744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.135744 (E_RNA) where: Base-Base interactions energy: -1186.730 where: short stacking energy: -521.054 Base-Backbone interact. energy: 2.299 local terms energy: -530.704447 where: bonds (distance) C4'-P energy: -93.916 bonds (distance) P-C4' energy: -101.720 flat angles C4'-P-C4' energy: -107.405 flat angles P-C4'-P energy: -80.660 tors. eta vs tors. theta energy: -147.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1633.805315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.805315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.805315 (E_RNA) where: Base-Base interactions energy: -1158.567 where: short stacking energy: -485.752 Base-Backbone interact. energy: 1.044 local terms energy: -476.281878 where: bonds (distance) C4'-P energy: -80.939 bonds (distance) P-C4' energy: -87.693 flat angles C4'-P-C4' energy: -91.354 flat angles P-C4'-P energy: -76.797 tors. eta vs tors. theta energy: -139.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -1551.438537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.438537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.438537 (E_RNA) where: Base-Base interactions energy: -1084.864 where: short stacking energy: -457.769 Base-Backbone interact. energy: -2.053 local terms energy: -464.522193 where: bonds (distance) C4'-P energy: -90.364 bonds (distance) P-C4' energy: -86.970 flat angles C4'-P-C4' energy: -102.916 flat angles P-C4'-P energy: -65.698 tors. eta vs tors. theta energy: -118.574 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: 9 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -1335.450219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1335.450219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1335.450219 (E_RNA) where: Base-Base interactions energy: -904.548 where: short stacking energy: -398.246 Base-Backbone interact. energy: 0.602 local terms energy: -431.503874 where: bonds (distance) C4'-P energy: -83.234 bonds (distance) P-C4' energy: -85.287 flat angles C4'-P-C4' energy: -97.997 flat angles P-C4'-P energy: -66.853 tors. eta vs tors. theta energy: -98.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -1290.282011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.282011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.282011 (E_RNA) where: Base-Base interactions energy: -877.430 where: short stacking energy: -363.470 Base-Backbone interact. energy: -1.168 local terms energy: -411.684261 where: bonds (distance) C4'-P energy: -72.479 bonds (distance) P-C4' energy: -92.909 flat angles C4'-P-C4' energy: -102.560 flat angles P-C4'-P energy: -56.073 tors. eta vs tors. theta energy: -87.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -932.381196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.381196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.381196 (E_RNA) where: Base-Base interactions energy: -582.324 where: short stacking energy: -274.484 Base-Backbone interact. energy: -3.328 local terms energy: -346.729146 where: bonds (distance) C4'-P energy: -85.053 bonds (distance) P-C4' energy: -80.463 flat angles C4'-P-C4' energy: -86.058 flat angles P-C4'-P energy: -62.616 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: 4 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -911.308656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.308656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.308656 (E_RNA) where: Base-Base interactions energy: -601.944 where: short stacking energy: -256.406 Base-Backbone interact. energy: -1.830 local terms energy: -307.535220 where: bonds (distance) C4'-P energy: -75.801 bonds (distance) P-C4' energy: -82.084 flat angles C4'-P-C4' energy: -72.398 flat angles P-C4'-P energy: -45.673 tors. eta vs tors. theta energy: -31.579 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: 423 Temperature: 1.350000 Total energy: -754.499883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.499883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.499883 (E_RNA) where: Base-Base interactions energy: -482.310 where: short stacking energy: -195.606 Base-Backbone interact. energy: 6.072 local terms energy: -278.261126 where: bonds (distance) C4'-P energy: -69.516 bonds (distance) P-C4' energy: -89.764 flat angles C4'-P-C4' energy: -64.807 flat angles P-C4'-P energy: -45.484 tors. eta vs tors. theta energy: -8.691 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: 6 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1869.179588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.179588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.179588 (E_RNA) where: Base-Base interactions energy: -1320.653 where: short stacking energy: -569.710 Base-Backbone interact. energy: -2.016 local terms energy: -546.509918 where: bonds (distance) C4'-P energy: -97.947 bonds (distance) P-C4' energy: -96.348 flat angles C4'-P-C4' energy: -117.062 flat angles P-C4'-P energy: -76.702 tors. eta vs tors. theta energy: -158.452 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: 5 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1769.333336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1769.333336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1769.333336 (E_RNA) where: Base-Base interactions energy: -1242.838 where: short stacking energy: -526.837 Base-Backbone interact. energy: -0.152 local terms energy: -526.343366 where: bonds (distance) C4'-P energy: -89.026 bonds (distance) P-C4' energy: -99.862 flat angles C4'-P-C4' energy: -109.378 flat angles P-C4'-P energy: -82.927 tors. eta vs tors. theta energy: -145.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1696.285937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.285937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.285937 (E_RNA) where: Base-Base interactions energy: -1175.933 where: short stacking energy: -492.851 Base-Backbone interact. energy: -1.229 local terms energy: -519.123811 where: bonds (distance) C4'-P energy: -92.286 bonds (distance) P-C4' energy: -104.310 flat angles C4'-P-C4' energy: -105.255 flat angles P-C4'-P energy: -71.390 tors. eta vs tors. theta energy: -145.883 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: 7 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1590.744349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1590.744349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1590.744349 (E_RNA) where: Base-Base interactions energy: -1123.740 where: short stacking energy: -456.527 Base-Backbone interact. energy: 0.340 local terms energy: -467.344023 where: bonds (distance) C4'-P energy: -89.500 bonds (distance) P-C4' energy: -96.049 flat angles C4'-P-C4' energy: -80.813 flat angles P-C4'-P energy: -73.580 tors. eta vs tors. theta energy: -127.402 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: 3 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -1556.828390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.828390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.828390 (E_RNA) where: Base-Base interactions energy: -1088.873 where: short stacking energy: -452.646 Base-Backbone interact. energy: -3.188 local terms energy: -464.768284 where: bonds (distance) C4'-P energy: -78.259 bonds (distance) P-C4' energy: -82.686 flat angles C4'-P-C4' energy: -99.905 flat angles P-C4'-P energy: -71.205 tors. eta vs tors. theta energy: -132.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -1361.101001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1361.101001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1361.101001 (E_RNA) where: Base-Base interactions energy: -933.475 where: short stacking energy: -422.419 Base-Backbone interact. energy: -1.388 local terms energy: -426.237854 where: bonds (distance) C4'-P energy: -76.030 bonds (distance) P-C4' energy: -82.452 flat angles C4'-P-C4' energy: -96.086 flat angles P-C4'-P energy: -64.592 tors. eta vs tors. theta energy: -107.078 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: 1 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -1290.529234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.529234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.529234 (E_RNA) where: Base-Base interactions energy: -882.932 where: short stacking energy: -368.152 Base-Backbone interact. energy: -0.016 local terms energy: -407.581338 where: bonds (distance) C4'-P energy: -86.243 bonds (distance) P-C4' energy: -86.359 flat angles C4'-P-C4' energy: -85.412 flat angles P-C4'-P energy: -57.148 tors. eta vs tors. theta energy: -92.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -944.424082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.424082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.424082 (E_RNA) where: Base-Base interactions energy: -583.692 where: short stacking energy: -266.914 Base-Backbone interact. energy: -3.729 local terms energy: -357.002810 where: bonds (distance) C4'-P energy: -89.494 bonds (distance) P-C4' energy: -83.406 flat angles C4'-P-C4' energy: -80.857 flat angles P-C4'-P energy: -55.817 tors. eta vs tors. theta energy: -47.429 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: 4 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -898.564441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.564441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.564441 (E_RNA) where: Base-Base interactions energy: -586.976 where: short stacking energy: -252.867 Base-Backbone interact. energy: 0.649 local terms energy: -312.237967 where: bonds (distance) C4'-P energy: -73.023 bonds (distance) P-C4' energy: -72.031 flat angles C4'-P-C4' energy: -88.238 flat angles P-C4'-P energy: -46.199 tors. eta vs tors. theta energy: -32.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -723.702960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.702960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.702960 (E_RNA) where: Base-Base interactions energy: -434.796 where: short stacking energy: -191.042 Base-Backbone interact. energy: 5.331 local terms energy: -294.237753 where: bonds (distance) C4'-P energy: -84.531 bonds (distance) P-C4' energy: -72.789 flat angles C4'-P-C4' energy: -73.831 flat angles P-C4'-P energy: -50.448 tors. eta vs tors. theta energy: -12.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1870.844079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.844079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.844079 (E_RNA) where: Base-Base interactions energy: -1337.300 where: short stacking energy: -566.421 Base-Backbone interact. energy: -3.467 local terms energy: -530.077298 where: bonds (distance) C4'-P energy: -93.395 bonds (distance) P-C4' energy: -102.247 flat angles C4'-P-C4' energy: -111.140 flat angles P-C4'-P energy: -68.726 tors. eta vs tors. theta energy: -154.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1731.265599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.265599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.265599 (E_RNA) where: Base-Base interactions energy: -1211.140 where: short stacking energy: -515.914 Base-Backbone interact. energy: -0.651 local terms energy: -519.474133 where: bonds (distance) C4'-P energy: -92.794 bonds (distance) P-C4' energy: -89.817 flat angles C4'-P-C4' energy: -100.750 flat angles P-C4'-P energy: -85.935 tors. eta vs tors. theta energy: -150.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1705.398081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.398081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.398081 (E_RNA) where: Base-Base interactions energy: -1168.609 where: short stacking energy: -495.866 Base-Backbone interact. energy: -0.536 local terms energy: -536.253586 where: bonds (distance) C4'-P energy: -98.847 bonds (distance) P-C4' energy: -99.248 flat angles C4'-P-C4' energy: -113.420 flat angles P-C4'-P energy: -76.491 tors. eta vs tors. theta energy: -148.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -1630.853411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1630.853411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1630.853411 (E_RNA) where: Base-Base interactions energy: -1148.116 where: short stacking energy: -477.684 Base-Backbone interact. energy: -0.934 local terms energy: -481.803997 where: bonds (distance) C4'-P energy: -81.248 bonds (distance) P-C4' energy: -90.596 flat angles C4'-P-C4' energy: -112.546 flat angles P-C4'-P energy: -68.787 tors. eta vs tors. theta energy: -128.627 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: 5, replica: 3 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -1550.445233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1550.445233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1550.445233 (E_RNA) where: Base-Base interactions energy: -1044.417 where: short stacking energy: -438.263 Base-Backbone interact. energy: -1.319 local terms energy: -504.708693 where: bonds (distance) C4'-P energy: -92.606 bonds (distance) P-C4' energy: -95.825 flat angles C4'-P-C4' energy: -111.876 flat angles P-C4'-P energy: -74.953 tors. eta vs tors. theta energy: -129.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -1344.650076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1344.650076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1344.650076 (E_RNA) where: Base-Base interactions energy: -898.097 where: short stacking energy: -407.590 Base-Backbone interact. energy: -3.149 local terms energy: -443.404057 where: bonds (distance) C4'-P energy: -97.031 bonds (distance) P-C4' energy: -89.836 flat angles C4'-P-C4' energy: -100.068 flat angles P-C4'-P energy: -59.258 tors. eta vs tors. theta energy: -97.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -1330.922378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.922378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.922378 (E_RNA) where: Base-Base interactions energy: -893.290 where: short stacking energy: -384.868 Base-Backbone interact. energy: 0.414 local terms energy: -438.045828 where: bonds (distance) C4'-P energy: -93.046 bonds (distance) P-C4' energy: -85.159 flat angles C4'-P-C4' energy: -93.258 flat angles P-C4'-P energy: -66.752 tors. eta vs tors. theta energy: -99.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -932.731760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.731760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.731760 (E_RNA) where: Base-Base interactions energy: -581.123 where: short stacking energy: -269.596 Base-Backbone interact. energy: -1.373 local terms energy: -350.236356 where: bonds (distance) C4'-P energy: -93.409 bonds (distance) P-C4' energy: -87.689 flat angles C4'-P-C4' energy: -82.899 flat angles P-C4'-P energy: -51.358 tors. eta vs tors. theta energy: -34.883 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: 9, replica: 2 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -900.127807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.127807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.127807 (E_RNA) where: Base-Base interactions energy: -576.565 where: short stacking energy: -262.695 Base-Backbone interact. energy: -1.191 local terms energy: -322.372138 where: bonds (distance) C4'-P energy: -78.073 bonds (distance) P-C4' energy: -78.928 flat angles C4'-P-C4' energy: -73.432 flat angles P-C4'-P energy: -50.973 tors. eta vs tors. theta energy: -40.967 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: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -696.204675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.204675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.204675 (E_RNA) where: Base-Base interactions energy: -418.600 where: short stacking energy: -198.956 Base-Backbone interact. energy: 3.970 local terms energy: -281.575000 where: bonds (distance) C4'-P energy: -69.193 bonds (distance) P-C4' energy: -79.159 flat angles C4'-P-C4' energy: -76.110 flat angles P-C4'-P energy: -45.180 tors. eta vs tors. theta energy: -11.933 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: 6 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1853.419947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1853.419947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1853.419947 (E_RNA) where: Base-Base interactions energy: -1304.749 where: short stacking energy: -542.377 Base-Backbone interact. energy: 0.781 local terms energy: -549.451874 where: bonds (distance) C4'-P energy: -89.976 bonds (distance) P-C4' energy: -108.217 flat angles C4'-P-C4' energy: -112.685 flat angles P-C4'-P energy: -81.838 tors. eta vs tors. theta energy: -156.736 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: 2, replica: 5 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1736.682200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.682200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.682200 (E_RNA) where: Base-Base interactions energy: -1179.534 where: short stacking energy: -512.639 Base-Backbone interact. energy: -1.499 local terms energy: -555.648505 where: bonds (distance) C4'-P energy: -102.802 bonds (distance) P-C4' energy: -112.181 flat angles C4'-P-C4' energy: -106.384 flat angles P-C4'-P energy: -80.880 tors. eta vs tors. theta energy: -153.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1699.618921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.618921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.618921 (E_RNA) where: Base-Base interactions energy: -1194.400 where: short stacking energy: -508.318 Base-Backbone interact. energy: 0.554 local terms energy: -505.772833 where: bonds (distance) C4'-P energy: -85.429 bonds (distance) P-C4' energy: -90.085 flat angles C4'-P-C4' energy: -110.652 flat angles P-C4'-P energy: -72.654 tors. eta vs tors. theta energy: -146.954 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: 7 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -1651.482328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1651.482328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1651.482328 (E_RNA) where: Base-Base interactions energy: -1167.739 where: short stacking energy: -489.435 Base-Backbone interact. energy: -2.064 local terms energy: -481.679894 where: bonds (distance) C4'-P energy: -77.708 bonds (distance) P-C4' energy: -96.977 flat angles C4'-P-C4' energy: -105.486 flat angles P-C4'-P energy: -69.567 tors. eta vs tors. theta energy: -131.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -1518.285416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.285416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.285416 (E_RNA) where: Base-Base interactions energy: -1045.160 where: short stacking energy: -454.769 Base-Backbone interact. energy: -1.898 local terms energy: -471.227582 where: bonds (distance) C4'-P energy: -84.087 bonds (distance) P-C4' energy: -92.808 flat angles C4'-P-C4' energy: -105.576 flat angles P-C4'-P energy: -67.181 tors. eta vs tors. theta energy: -121.576 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: 9 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -1332.483964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1332.483964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1332.483964 (E_RNA) where: Base-Base interactions energy: -918.767 where: short stacking energy: -387.990 Base-Backbone interact. energy: -1.237 local terms energy: -412.479709 where: bonds (distance) C4'-P energy: -76.287 bonds (distance) P-C4' energy: -78.328 flat angles C4'-P-C4' energy: -97.745 flat angles P-C4'-P energy: -63.846 tors. eta vs tors. theta energy: -96.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -1286.926326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.926326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.926326 (E_RNA) where: Base-Base interactions energy: -892.009 where: short stacking energy: -404.252 Base-Backbone interact. energy: -1.671 local terms energy: -393.245747 where: bonds (distance) C4'-P energy: -73.317 bonds (distance) P-C4' energy: -82.943 flat angles C4'-P-C4' energy: -81.507 flat angles P-C4'-P energy: -63.938 tors. eta vs tors. theta energy: -91.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -959.486968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.486968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.486968 (E_RNA) where: Base-Base interactions energy: -622.431 where: short stacking energy: -282.360 Base-Backbone interact. energy: 1.997 local terms energy: -339.052195 where: bonds (distance) C4'-P energy: -76.926 bonds (distance) P-C4' energy: -89.882 flat angles C4'-P-C4' energy: -71.814 flat angles P-C4'-P energy: -55.607 tors. eta vs tors. theta energy: -44.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -896.772929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.772929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.772929 (E_RNA) where: Base-Base interactions energy: -546.540 where: short stacking energy: -254.950 Base-Backbone interact. energy: 2.942 local terms energy: -353.175034 where: bonds (distance) C4'-P energy: -78.306 bonds (distance) P-C4' energy: -89.437 flat angles C4'-P-C4' energy: -96.984 flat angles P-C4'-P energy: -53.310 tors. eta vs tors. theta energy: -35.139 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: 10, replica: 10 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -761.288078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.288078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.288078 (E_RNA) where: Base-Base interactions energy: -481.114 where: short stacking energy: -220.187 Base-Backbone interact. energy: 0.251 local terms energy: -280.424341 where: bonds (distance) C4'-P energy: -67.725 bonds (distance) P-C4' energy: -77.118 flat angles C4'-P-C4' energy: -70.780 flat angles P-C4'-P energy: -36.159 tors. eta vs tors. theta energy: -28.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1860.505457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.505457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.505457 (E_RNA) where: Base-Base interactions energy: -1314.232 where: short stacking energy: -547.458 Base-Backbone interact. energy: -1.871 local terms energy: -544.402836 where: bonds (distance) C4'-P energy: -98.154 bonds (distance) P-C4' energy: -103.062 flat angles C4'-P-C4' energy: -112.681 flat angles P-C4'-P energy: -75.256 tors. eta vs tors. theta energy: -155.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1715.149748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.149748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.149748 (E_RNA) where: Base-Base interactions energy: -1189.948 where: short stacking energy: -505.822 Base-Backbone interact. energy: 0.665 local terms energy: -525.867345 where: bonds (distance) C4'-P energy: -100.224 bonds (distance) P-C4' energy: -94.098 flat angles C4'-P-C4' energy: -107.232 flat angles P-C4'-P energy: -83.349 tors. eta vs tors. theta energy: -140.965 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: 8 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1714.979478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1714.979478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1714.979478 (E_RNA) where: Base-Base interactions energy: -1194.457 where: short stacking energy: -506.128 Base-Backbone interact. energy: -1.108 local terms energy: -519.414524 where: bonds (distance) C4'-P energy: -100.705 bonds (distance) P-C4' energy: -85.082 flat angles C4'-P-C4' energy: -113.215 flat angles P-C4'-P energy: -70.186 tors. eta vs tors. theta energy: -150.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1637.852658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.852658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.852658 (E_RNA) where: Base-Base interactions energy: -1132.142 where: short stacking energy: -490.018 Base-Backbone interact. energy: -1.075 local terms energy: -504.635738 where: bonds (distance) C4'-P energy: -90.505 bonds (distance) P-C4' energy: -97.622 flat angles C4'-P-C4' energy: -106.113 flat angles P-C4'-P energy: -72.391 tors. eta vs tors. theta energy: -138.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -1562.361610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1562.361610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1562.361610 (E_RNA) where: Base-Base interactions energy: -1050.740 where: short stacking energy: -455.836 Base-Backbone interact. energy: -3.508 local terms energy: -508.113008 where: bonds (distance) C4'-P energy: -95.453 bonds (distance) P-C4' energy: -101.690 flat angles C4'-P-C4' energy: -114.357 flat angles P-C4'-P energy: -71.175 tors. eta vs tors. theta energy: -125.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -1343.450114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.450114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.450114 (E_RNA) where: Base-Base interactions energy: -910.504 where: short stacking energy: -394.304 Base-Backbone interact. energy: -1.790 local terms energy: -431.155868 where: bonds (distance) C4'-P energy: -90.632 bonds (distance) P-C4' energy: -87.349 flat angles C4'-P-C4' energy: -86.737 flat angles P-C4'-P energy: -64.448 tors. eta vs tors. theta energy: -101.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -1315.283018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.283018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.283018 (E_RNA) where: Base-Base interactions energy: -897.497 where: short stacking energy: -372.227 Base-Backbone interact. energy: 0.978 local terms energy: -418.763699 where: bonds (distance) C4'-P energy: -89.965 bonds (distance) P-C4' energy: -91.259 flat angles C4'-P-C4' energy: -86.892 flat angles P-C4'-P energy: -54.551 tors. eta vs tors. theta energy: -96.098 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: 8, replica: 4 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -953.458672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.458672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.458672 (E_RNA) where: Base-Base interactions energy: -587.744 where: short stacking energy: -258.319 Base-Backbone interact. energy: -1.764 local terms energy: -363.951119 where: bonds (distance) C4'-P energy: -73.343 bonds (distance) P-C4' energy: -95.382 flat angles C4'-P-C4' energy: -80.921 flat angles P-C4'-P energy: -67.680 tors. eta vs tors. theta energy: -46.626 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: 2 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -944.239952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.239952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.239952 (E_RNA) where: Base-Base interactions energy: -601.406 where: short stacking energy: -256.105 Base-Backbone interact. energy: -0.758 local terms energy: -342.075585 where: bonds (distance) C4'-P energy: -88.320 bonds (distance) P-C4' energy: -88.664 flat angles C4'-P-C4' energy: -85.614 flat angles P-C4'-P energy: -35.675 tors. eta vs tors. theta energy: -43.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -775.837589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.837589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.837589 (E_RNA) where: Base-Base interactions energy: -475.246 where: short stacking energy: -221.379 Base-Backbone interact. energy: 2.091 local terms energy: -302.682362 where: bonds (distance) C4'-P energy: -66.278 bonds (distance) P-C4' energy: -81.069 flat angles C4'-P-C4' energy: -76.175 flat angles P-C4'-P energy: -35.609 tors. eta vs tors. theta energy: -43.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1868.089111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.089111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.089111 (E_RNA) where: Base-Base interactions energy: -1313.065 where: short stacking energy: -556.571 Base-Backbone interact. energy: -0.425 local terms energy: -554.599278 where: bonds (distance) C4'-P energy: -96.486 bonds (distance) P-C4' energy: -105.968 flat angles C4'-P-C4' energy: -119.241 flat angles P-C4'-P energy: -77.769 tors. eta vs tors. theta energy: -155.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1730.488183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.488183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.488183 (E_RNA) where: Base-Base interactions energy: -1198.880 where: short stacking energy: -529.305 Base-Backbone interact. energy: -1.378 local terms energy: -530.230263 where: bonds (distance) C4'-P energy: -96.700 bonds (distance) P-C4' energy: -88.543 flat angles C4'-P-C4' energy: -107.146 flat angles P-C4'-P energy: -85.406 tors. eta vs tors. theta energy: -152.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1703.441560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.441560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.441560 (E_RNA) where: Base-Base interactions energy: -1184.462 where: short stacking energy: -514.907 Base-Backbone interact. energy: -1.066 local terms energy: -517.914111 where: bonds (distance) C4'-P energy: -99.912 bonds (distance) P-C4' energy: -95.174 flat angles C4'-P-C4' energy: -103.534 flat angles P-C4'-P energy: -71.502 tors. eta vs tors. theta energy: -147.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -1606.338149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1606.338149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1606.338149 (E_RNA) where: Base-Base interactions energy: -1135.283 where: short stacking energy: -479.522 Base-Backbone interact. energy: -3.384 local terms energy: -467.671070 where: bonds (distance) C4'-P energy: -77.323 bonds (distance) P-C4' energy: -97.108 flat angles C4'-P-C4' energy: -89.720 flat angles P-C4'-P energy: -67.626 tors. eta vs tors. theta energy: -135.894 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: 3 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -1534.970007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.970007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.970007 (E_RNA) where: Base-Base interactions energy: -1049.468 where: short stacking energy: -451.182 Base-Backbone interact. energy: -1.425 local terms energy: -484.077584 where: bonds (distance) C4'-P energy: -87.365 bonds (distance) P-C4' energy: -98.628 flat angles C4'-P-C4' energy: -104.556 flat angles P-C4'-P energy: -66.890 tors. eta vs tors. theta energy: -126.639 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: 9 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -1392.191037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1392.191037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1392.191037 (E_RNA) where: Base-Base interactions energy: -934.655 where: short stacking energy: -404.733 Base-Backbone interact. energy: -1.391 local terms energy: -456.145494 where: bonds (distance) C4'-P energy: -84.489 bonds (distance) P-C4' energy: -95.740 flat angles C4'-P-C4' energy: -94.814 flat angles P-C4'-P energy: -63.668 tors. eta vs tors. theta energy: -117.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -1334.042183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1334.042183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1334.042183 (E_RNA) where: Base-Base interactions energy: -925.009 where: short stacking energy: -411.792 Base-Backbone interact. energy: -1.811 local terms energy: -407.222537 where: bonds (distance) C4'-P energy: -67.731 bonds (distance) P-C4' energy: -88.738 flat angles C4'-P-C4' energy: -94.772 flat angles P-C4'-P energy: -62.040 tors. eta vs tors. theta energy: -93.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -927.579947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.579947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.579947 (E_RNA) where: Base-Base interactions energy: -553.448 where: short stacking energy: -261.115 Base-Backbone interact. energy: -1.434 local terms energy: -372.698608 where: bonds (distance) C4'-P energy: -91.659 bonds (distance) P-C4' energy: -77.224 flat angles C4'-P-C4' energy: -88.429 flat angles P-C4'-P energy: -61.220 tors. eta vs tors. theta energy: -54.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -1052.480622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.480622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.480622 (E_RNA) where: Base-Base interactions energy: -709.998 where: short stacking energy: -324.759 Base-Backbone interact. energy: -0.899 local terms energy: -341.583870 where: bonds (distance) C4'-P energy: -82.398 bonds (distance) P-C4' energy: -73.817 flat angles C4'-P-C4' energy: -75.161 flat angles P-C4'-P energy: -43.603 tors. eta vs tors. theta energy: -66.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -824.222342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.222342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.222342 (E_RNA) where: Base-Base interactions energy: -502.373 where: short stacking energy: -221.278 Base-Backbone interact. energy: 0.370 local terms energy: -322.219077 where: bonds (distance) C4'-P energy: -78.980 bonds (distance) P-C4' energy: -83.962 flat angles C4'-P-C4' energy: -76.447 flat angles P-C4'-P energy: -50.491 tors. eta vs tors. theta energy: -32.339 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1868.808459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.808459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.808459 (E_RNA) where: Base-Base interactions energy: -1324.194 where: short stacking energy: -561.405 Base-Backbone interact. energy: -2.413 local terms energy: -542.201043 where: bonds (distance) C4'-P energy: -104.821 bonds (distance) P-C4' energy: -89.483 flat angles C4'-P-C4' energy: -110.700 flat angles P-C4'-P energy: -83.646 tors. eta vs tors. theta energy: -153.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1731.616210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.616210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.616210 (E_RNA) where: Base-Base interactions energy: -1207.935 where: short stacking energy: -532.935 Base-Backbone interact. energy: -3.357 local terms energy: -520.323991 where: bonds (distance) C4'-P energy: -86.705 bonds (distance) P-C4' energy: -89.387 flat angles C4'-P-C4' energy: -113.149 flat angles P-C4'-P energy: -74.631 tors. eta vs tors. theta energy: -156.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1699.480804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.480804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.480804 (E_RNA) where: Base-Base interactions energy: -1179.613 where: short stacking energy: -498.010 Base-Backbone interact. energy: -2.166 local terms energy: -517.701629 where: bonds (distance) C4'-P energy: -96.013 bonds (distance) P-C4' energy: -90.819 flat angles C4'-P-C4' energy: -105.457 flat angles P-C4'-P energy: -73.332 tors. eta vs tors. theta energy: -152.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -1579.808587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1579.808587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1579.808587 (E_RNA) where: Base-Base interactions energy: -1098.486 where: short stacking energy: -465.172 Base-Backbone interact. energy: -3.556 local terms energy: -477.766320 where: bonds (distance) C4'-P energy: -92.142 bonds (distance) P-C4' energy: -99.948 flat angles C4'-P-C4' energy: -99.093 flat angles P-C4'-P energy: -59.459 tors. eta vs tors. theta energy: -127.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -1600.896524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.896524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.896524 (E_RNA) where: Base-Base interactions energy: -1118.831 where: short stacking energy: -463.859 Base-Backbone interact. energy: -3.302 local terms energy: -478.764139 where: bonds (distance) C4'-P energy: -88.497 bonds (distance) P-C4' energy: -99.356 flat angles C4'-P-C4' energy: -91.910 flat angles P-C4'-P energy: -73.086 tors. eta vs tors. theta energy: -125.915 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: 429 Temperature: 1.150000 Total energy: -1364.620197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.620197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.620197 (E_RNA) where: Base-Base interactions energy: -923.636 where: short stacking energy: -395.360 Base-Backbone interact. energy: -3.803 local terms energy: -437.180526 where: bonds (distance) C4'-P energy: -84.890 bonds (distance) P-C4' energy: -88.125 flat angles C4'-P-C4' energy: -92.456 flat angles P-C4'-P energy: -67.635 tors. eta vs tors. theta energy: -104.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -1345.209895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.209895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.209895 (E_RNA) where: Base-Base interactions energy: -932.915 where: short stacking energy: -398.144 Base-Backbone interact. energy: 0.040 local terms energy: -412.334417 where: bonds (distance) C4'-P energy: -84.470 bonds (distance) P-C4' energy: -79.889 flat angles C4'-P-C4' energy: -82.509 flat angles P-C4'-P energy: -72.107 tors. eta vs tors. theta energy: -93.359 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: 2 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -1061.000395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.000395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.000395 (E_RNA) where: Base-Base interactions energy: -681.562 where: short stacking energy: -294.157 Base-Backbone interact. energy: -1.358 local terms energy: -378.080389 where: bonds (distance) C4'-P energy: -94.268 bonds (distance) P-C4' energy: -88.905 flat angles C4'-P-C4' energy: -87.376 flat angles P-C4'-P energy: -44.967 tors. eta vs tors. theta energy: -62.564 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: 4 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -899.643067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.643067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.643067 (E_RNA) where: Base-Base interactions energy: -580.526 where: short stacking energy: -248.579 Base-Backbone interact. energy: 3.924 local terms energy: -323.041090 where: bonds (distance) C4'-P energy: -82.137 bonds (distance) P-C4' energy: -77.283 flat angles C4'-P-C4' energy: -74.326 flat angles P-C4'-P energy: -36.712 tors. eta vs tors. theta energy: -52.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -739.750091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.750091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.750091 (E_RNA) where: Base-Base interactions energy: -436.801 where: short stacking energy: -202.961 Base-Backbone interact. energy: 1.435 local terms energy: -304.384408 where: bonds (distance) C4'-P energy: -80.223 bonds (distance) P-C4' energy: -65.940 flat angles C4'-P-C4' energy: -87.816 flat angles P-C4'-P energy: -50.848 tors. eta vs tors. theta energy: -19.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1871.221542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.221542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.221542 (E_RNA) where: Base-Base interactions energy: -1321.557 where: short stacking energy: -553.322 Base-Backbone interact. energy: -2.019 local terms energy: -547.645733 where: bonds (distance) C4'-P energy: -102.762 bonds (distance) P-C4' energy: -100.564 flat angles C4'-P-C4' energy: -111.839 flat angles P-C4'-P energy: -76.262 tors. eta vs tors. theta energy: -156.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1743.407755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.407755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.407755 (E_RNA) where: Base-Base interactions energy: -1190.413 where: short stacking energy: -505.608 Base-Backbone interact. energy: -0.715 local terms energy: -552.279362 where: bonds (distance) C4'-P energy: -102.968 bonds (distance) P-C4' energy: -93.420 flat angles C4'-P-C4' energy: -109.647 flat angles P-C4'-P energy: -92.543 tors. eta vs tors. theta energy: -153.701 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: 8 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1705.362180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.362180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.362180 (E_RNA) where: Base-Base interactions energy: -1184.189 where: short stacking energy: -522.994 Base-Backbone interact. energy: 1.417 local terms energy: -522.590045 where: bonds (distance) C4'-P energy: -98.564 bonds (distance) P-C4' energy: -86.983 flat angles C4'-P-C4' energy: -107.157 flat angles P-C4'-P energy: -78.857 tors. eta vs tors. theta energy: -151.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1589.665356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.665356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.665356 (E_RNA) where: Base-Base interactions energy: -1125.751 where: short stacking energy: -482.008 Base-Backbone interact. energy: -2.060 local terms energy: -461.854590 where: bonds (distance) C4'-P energy: -94.342 bonds (distance) P-C4' energy: -85.970 flat angles C4'-P-C4' energy: -100.145 flat angles P-C4'-P energy: -55.001 tors. eta vs tors. theta energy: -126.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -1527.756066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.756066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.756066 (E_RNA) where: Base-Base interactions energy: -1056.960 where: short stacking energy: -417.070 Base-Backbone interact. energy: 2.713 local terms energy: -473.509137 where: bonds (distance) C4'-P energy: -101.740 bonds (distance) P-C4' energy: -72.780 flat angles C4'-P-C4' energy: -108.422 flat angles P-C4'-P energy: -69.797 tors. eta vs tors. theta energy: -120.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -1390.001722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.001722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.001722 (E_RNA) where: Base-Base interactions energy: -960.111 where: short stacking energy: -425.475 Base-Backbone interact. energy: 1.055 local terms energy: -430.945085 where: bonds (distance) C4'-P energy: -70.554 bonds (distance) P-C4' energy: -96.400 flat angles C4'-P-C4' energy: -85.720 flat angles P-C4'-P energy: -67.033 tors. eta vs tors. theta energy: -111.237 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: 9 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -1313.195790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1313.195790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1313.195790 (E_RNA) where: Base-Base interactions energy: -897.611 where: short stacking energy: -392.011 Base-Backbone interact. energy: 2.164 local terms energy: -417.749405 where: bonds (distance) C4'-P energy: -77.931 bonds (distance) P-C4' energy: -82.514 flat angles C4'-P-C4' energy: -87.926 flat angles P-C4'-P energy: -63.909 tors. eta vs tors. theta energy: -105.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -1076.229284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.229284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.229284 (E_RNA) where: Base-Base interactions energy: -736.811 where: short stacking energy: -307.025 Base-Backbone interact. energy: -2.573 local terms energy: -336.845946 where: bonds (distance) C4'-P energy: -74.733 bonds (distance) P-C4' energy: -64.341 flat angles C4'-P-C4' energy: -83.496 flat angles P-C4'-P energy: -50.479 tors. eta vs tors. theta energy: -63.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -904.267374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.267374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.267374 (E_RNA) where: Base-Base interactions energy: -555.000 where: short stacking energy: -261.686 Base-Backbone interact. energy: 1.764 local terms energy: -351.031506 where: bonds (distance) C4'-P energy: -83.168 bonds (distance) P-C4' energy: -88.133 flat angles C4'-P-C4' energy: -93.677 flat angles P-C4'-P energy: -47.973 tors. eta vs tors. theta energy: -38.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -768.694504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.694504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.694504 (E_RNA) where: Base-Base interactions energy: -453.978 where: short stacking energy: -204.483 Base-Backbone interact. energy: -2.677 local terms energy: -312.039540 where: bonds (distance) C4'-P energy: -57.121 bonds (distance) P-C4' energy: -79.679 flat angles C4'-P-C4' energy: -76.396 flat angles P-C4'-P energy: -68.245 tors. eta vs tors. theta energy: -30.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1868.168219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.168219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.168219 (E_RNA) where: Base-Base interactions energy: -1330.196 where: short stacking energy: -557.454 Base-Backbone interact. energy: -2.018 local terms energy: -535.954227 where: bonds (distance) C4'-P energy: -83.642 bonds (distance) P-C4' energy: -103.531 flat angles C4'-P-C4' energy: -116.351 flat angles P-C4'-P energy: -75.107 tors. eta vs tors. theta energy: -157.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1736.393492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1736.393492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1736.393492 (E_RNA) where: Base-Base interactions energy: -1218.946 where: short stacking energy: -534.777 Base-Backbone interact. energy: -2.705 local terms energy: -514.742581 where: bonds (distance) C4'-P energy: -85.603 bonds (distance) P-C4' energy: -84.432 flat angles C4'-P-C4' energy: -119.735 flat angles P-C4'-P energy: -76.032 tors. eta vs tors. theta energy: -148.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1680.320261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.320261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.320261 (E_RNA) where: Base-Base interactions energy: -1164.349 where: short stacking energy: -508.075 Base-Backbone interact. energy: -1.696 local terms energy: -514.275331 where: bonds (distance) C4'-P energy: -92.239 bonds (distance) P-C4' energy: -106.787 flat angles C4'-P-C4' energy: -108.066 flat angles P-C4'-P energy: -68.953 tors. eta vs tors. theta energy: -138.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -1600.794147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1600.794147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1600.794147 (E_RNA) where: Base-Base interactions energy: -1074.479 where: short stacking energy: -464.528 Base-Backbone interact. energy: -1.776 local terms energy: -524.539176 where: bonds (distance) C4'-P energy: -89.672 bonds (distance) P-C4' energy: -102.343 flat angles C4'-P-C4' energy: -110.962 flat angles P-C4'-P energy: -84.714 tors. eta vs tors. theta energy: -136.849 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: 5, replica: 7 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -1542.431239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.431239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.431239 (E_RNA) where: Base-Base interactions energy: -1091.167 where: short stacking energy: -467.850 Base-Backbone interact. energy: 2.052 local terms energy: -453.316627 where: bonds (distance) C4'-P energy: -97.230 bonds (distance) P-C4' energy: -82.245 flat angles C4'-P-C4' energy: -93.490 flat angles P-C4'-P energy: -59.216 tors. eta vs tors. theta energy: -121.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -1330.399181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.399181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.399181 (E_RNA) where: Base-Base interactions energy: -896.417 where: short stacking energy: -389.944 Base-Backbone interact. energy: -1.028 local terms energy: -432.953892 where: bonds (distance) C4'-P energy: -82.823 bonds (distance) P-C4' energy: -86.605 flat angles C4'-P-C4' energy: -96.432 flat angles P-C4'-P energy: -60.903 tors. eta vs tors. theta energy: -106.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -1340.943366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.943366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.943366 (E_RNA) where: Base-Base interactions energy: -919.585 where: short stacking energy: -409.264 Base-Backbone interact. energy: 0.580 local terms energy: -421.938856 where: bonds (distance) C4'-P energy: -78.742 bonds (distance) P-C4' energy: -95.744 flat angles C4'-P-C4' energy: -86.318 flat angles P-C4'-P energy: -54.071 tors. eta vs tors. theta energy: -107.064 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: 8, replica: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -1092.573776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.573776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.573776 (E_RNA) where: Base-Base interactions energy: -722.295 where: short stacking energy: -292.850 Base-Backbone interact. energy: 0.021 local terms energy: -370.299961 where: bonds (distance) C4'-P energy: -86.991 bonds (distance) P-C4' energy: -67.430 flat angles C4'-P-C4' energy: -92.338 flat angles P-C4'-P energy: -65.966 tors. eta vs tors. theta energy: -57.575 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: 9, replica: 4 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -917.658288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.658288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.658288 (E_RNA) where: Base-Base interactions energy: -555.346 where: short stacking energy: -251.174 Base-Backbone interact. energy: 1.325 local terms energy: -363.637314 where: bonds (distance) C4'-P energy: -94.028 bonds (distance) P-C4' energy: -90.394 flat angles C4'-P-C4' energy: -73.721 flat angles P-C4'-P energy: -53.767 tors. eta vs tors. theta energy: -51.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -847.380301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.380301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.380301 (E_RNA) where: Base-Base interactions energy: -547.908 where: short stacking energy: -254.845 Base-Backbone interact. energy: 1.758 local terms energy: -301.230966 where: bonds (distance) C4'-P energy: -79.944 bonds (distance) P-C4' energy: -71.454 flat angles C4'-P-C4' energy: -81.451 flat angles P-C4'-P energy: -32.172 tors. eta vs tors. theta energy: -36.210 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: 6 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1867.105378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.105378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.105378 (E_RNA) where: Base-Base interactions energy: -1312.337 where: short stacking energy: -548.300 Base-Backbone interact. energy: 0.939 local terms energy: -555.706838 where: bonds (distance) C4'-P energy: -107.719 bonds (distance) P-C4' energy: -99.414 flat angles C4'-P-C4' energy: -112.464 flat angles P-C4'-P energy: -83.794 tors. eta vs tors. theta energy: -152.317 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: 8 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1751.849013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1751.849013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1751.849013 (E_RNA) where: Base-Base interactions energy: -1215.934 where: short stacking energy: -525.689 Base-Backbone interact. energy: 0.614 local terms energy: -536.529355 where: bonds (distance) C4'-P energy: -87.845 bonds (distance) P-C4' energy: -104.921 flat angles C4'-P-C4' energy: -112.958 flat angles P-C4'-P energy: -77.506 tors. eta vs tors. theta energy: -153.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1692.148694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.148694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.148694 (E_RNA) where: Base-Base interactions energy: -1179.780 where: short stacking energy: -504.608 Base-Backbone interact. energy: -3.157 local terms energy: -509.211521 where: bonds (distance) C4'-P energy: -94.472 bonds (distance) P-C4' energy: -100.521 flat angles C4'-P-C4' energy: -103.513 flat angles P-C4'-P energy: -69.662 tors. eta vs tors. theta energy: -141.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1595.324822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.324822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.324822 (E_RNA) where: Base-Base interactions energy: -1114.190 where: short stacking energy: -494.579 Base-Backbone interact. energy: 0.201 local terms energy: -481.335490 where: bonds (distance) C4'-P energy: -86.450 bonds (distance) P-C4' energy: -81.868 flat angles C4'-P-C4' energy: -108.964 flat angles P-C4'-P energy: -69.829 tors. eta vs tors. theta energy: -134.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -1514.634075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.634075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.634075 (E_RNA) where: Base-Base interactions energy: -1046.663 where: short stacking energy: -442.302 Base-Backbone interact. energy: -0.551 local terms energy: -467.419605 where: bonds (distance) C4'-P energy: -86.554 bonds (distance) P-C4' energy: -90.118 flat angles C4'-P-C4' energy: -96.135 flat angles P-C4'-P energy: -67.127 tors. eta vs tors. theta energy: -127.486 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: 9 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -1337.692088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1337.692088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1337.692088 (E_RNA) where: Base-Base interactions energy: -928.463 where: short stacking energy: -411.212 Base-Backbone interact. energy: 0.890 local terms energy: -410.118723 where: bonds (distance) C4'-P energy: -68.809 bonds (distance) P-C4' energy: -73.106 flat angles C4'-P-C4' energy: -102.111 flat angles P-C4'-P energy: -65.354 tors. eta vs tors. theta energy: -100.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -1302.930104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.930104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.930104 (E_RNA) where: Base-Base interactions energy: -874.801 where: short stacking energy: -372.972 Base-Backbone interact. energy: -3.307 local terms energy: -424.821997 where: bonds (distance) C4'-P energy: -85.597 bonds (distance) P-C4' energy: -91.472 flat angles C4'-P-C4' energy: -92.137 flat angles P-C4'-P energy: -47.047 tors. eta vs tors. theta energy: -108.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -1081.061573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.061573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.061573 (E_RNA) where: Base-Base interactions energy: -733.261 where: short stacking energy: -324.568 Base-Backbone interact. energy: 0.385 local terms energy: -348.185843 where: bonds (distance) C4'-P energy: -69.682 bonds (distance) P-C4' energy: -80.971 flat angles C4'-P-C4' energy: -77.653 flat angles P-C4'-P energy: -46.074 tors. eta vs tors. theta energy: -73.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -840.569228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.569228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.569228 (E_RNA) where: Base-Base interactions energy: -547.773 where: short stacking energy: -261.563 Base-Backbone interact. energy: -1.575 local terms energy: -291.221071 where: bonds (distance) C4'-P energy: -64.512 bonds (distance) P-C4' energy: -86.370 flat angles C4'-P-C4' energy: -75.872 flat angles P-C4'-P energy: -26.738 tors. eta vs tors. theta energy: -37.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -746.975445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.975445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.975445 (E_RNA) where: Base-Base interactions energy: -424.852 where: short stacking energy: -213.432 Base-Backbone interact. energy: 0.184 local terms energy: -322.306681 where: bonds (distance) C4'-P energy: -84.774 bonds (distance) P-C4' energy: -71.225 flat angles C4'-P-C4' energy: -76.599 flat angles P-C4'-P energy: -58.587 tors. eta vs tors. theta energy: -31.121 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: 6 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1860.727661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.727661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.727661 (E_RNA) where: Base-Base interactions energy: -1319.815 where: short stacking energy: -540.280 Base-Backbone interact. energy: -2.073 local terms energy: -538.839435 where: bonds (distance) C4'-P energy: -98.209 bonds (distance) P-C4' energy: -107.623 flat angles C4'-P-C4' energy: -106.524 flat angles P-C4'-P energy: -74.714 tors. eta vs tors. theta energy: -151.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1775.191718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1775.191718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1775.191718 (E_RNA) where: Base-Base interactions energy: -1223.517 where: short stacking energy: -537.841 Base-Backbone interact. energy: 0.374 local terms energy: -552.049294 where: bonds (distance) C4'-P energy: -91.406 bonds (distance) P-C4' energy: -104.053 flat angles C4'-P-C4' energy: -114.606 flat angles P-C4'-P energy: -85.123 tors. eta vs tors. theta energy: -156.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1679.449358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1679.449358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1679.449358 (E_RNA) where: Base-Base interactions energy: -1174.208 where: short stacking energy: -501.872 Base-Backbone interact. energy: -0.151 local terms energy: -505.090051 where: bonds (distance) C4'-P energy: -92.517 bonds (distance) P-C4' energy: -100.863 flat angles C4'-P-C4' energy: -103.259 flat angles P-C4'-P energy: -68.344 tors. eta vs tors. theta energy: -140.107 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: 4, replica: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1592.874714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1592.874714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1592.874714 (E_RNA) where: Base-Base interactions energy: -1094.964 where: short stacking energy: -486.049 Base-Backbone interact. energy: -2.255 local terms energy: -495.656240 where: bonds (distance) C4'-P energy: -85.307 bonds (distance) P-C4' energy: -91.089 flat angles C4'-P-C4' energy: -106.671 flat angles P-C4'-P energy: -73.012 tors. eta vs tors. theta energy: -139.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -1538.202743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.202743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.202743 (E_RNA) where: Base-Base interactions energy: -1078.353 where: short stacking energy: -468.335 Base-Backbone interact. energy: -2.411 local terms energy: -457.437781 where: bonds (distance) C4'-P energy: -82.163 bonds (distance) P-C4' energy: -101.392 flat angles C4'-P-C4' energy: -93.569 flat angles P-C4'-P energy: -55.528 tors. eta vs tors. theta energy: -124.786 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: 433 Temperature: 1.150000 Total energy: -1349.784239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1349.784239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1349.784239 (E_RNA) where: Base-Base interactions energy: -939.144 where: short stacking energy: -409.718 Base-Backbone interact. energy: -1.406 local terms energy: -409.233844 where: bonds (distance) C4'-P energy: -61.191 bonds (distance) P-C4' energy: -88.789 flat angles C4'-P-C4' energy: -80.242 flat angles P-C4'-P energy: -66.045 tors. eta vs tors. theta energy: -112.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -1350.087318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1350.087318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1350.087318 (E_RNA) where: Base-Base interactions energy: -930.175 where: short stacking energy: -405.514 Base-Backbone interact. energy: -0.938 local terms energy: -418.974200 where: bonds (distance) C4'-P energy: -76.063 bonds (distance) P-C4' energy: -79.236 flat angles C4'-P-C4' energy: -87.255 flat angles P-C4'-P energy: -70.444 tors. eta vs tors. theta energy: -105.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -1076.701433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.701433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.701433 (E_RNA) where: Base-Base interactions energy: -702.904 where: short stacking energy: -326.960 Base-Backbone interact. energy: 0.052 local terms energy: -373.849479 where: bonds (distance) C4'-P energy: -67.308 bonds (distance) P-C4' energy: -90.191 flat angles C4'-P-C4' energy: -93.424 flat angles P-C4'-P energy: -59.397 tors. eta vs tors. theta energy: -63.530 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: 4 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -882.437703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.437703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.437703 (E_RNA) where: Base-Base interactions energy: -534.364 where: short stacking energy: -236.863 Base-Backbone interact. energy: -2.732 local terms energy: -345.341463 where: bonds (distance) C4'-P energy: -73.363 bonds (distance) P-C4' energy: -88.719 flat angles C4'-P-C4' energy: -82.598 flat angles P-C4'-P energy: -55.610 tors. eta vs tors. theta energy: -45.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -705.278755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.278755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.278755 (E_RNA) where: Base-Base interactions energy: -415.302 where: short stacking energy: -220.138 Base-Backbone interact. energy: -1.020 local terms energy: -288.956806 where: bonds (distance) C4'-P energy: -75.556 bonds (distance) P-C4' energy: -81.713 flat angles C4'-P-C4' energy: -72.297 flat angles P-C4'-P energy: -39.140 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: 1, replica: 6 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1860.498322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1860.498322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1860.498322 (E_RNA) where: Base-Base interactions energy: -1313.526 where: short stacking energy: -549.870 Base-Backbone interact. energy: -0.700 local terms energy: -546.272468 where: bonds (distance) C4'-P energy: -96.793 bonds (distance) P-C4' energy: -104.702 flat angles C4'-P-C4' energy: -106.826 flat angles P-C4'-P energy: -82.500 tors. eta vs tors. theta energy: -155.452 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: 8 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1774.400778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.400778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.400778 (E_RNA) where: Base-Base interactions energy: -1250.937 where: short stacking energy: -527.652 Base-Backbone interact. energy: -1.349 local terms energy: -522.114192 where: bonds (distance) C4'-P energy: -86.083 bonds (distance) P-C4' energy: -90.515 flat angles C4'-P-C4' energy: -103.570 flat angles P-C4'-P energy: -81.852 tors. eta vs tors. theta energy: -160.094 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: 5 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1700.965567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.965567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.965567 (E_RNA) where: Base-Base interactions energy: -1178.399 where: short stacking energy: -490.350 Base-Backbone interact. energy: 1.016 local terms energy: -523.582755 where: bonds (distance) C4'-P energy: -92.371 bonds (distance) P-C4' energy: -103.823 flat angles C4'-P-C4' energy: -115.938 flat angles P-C4'-P energy: -74.329 tors. eta vs tors. theta energy: -137.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1595.128462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1595.128462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1595.128462 (E_RNA) where: Base-Base interactions energy: -1105.866 where: short stacking energy: -494.264 Base-Backbone interact. energy: -1.676 local terms energy: -487.586514 where: bonds (distance) C4'-P energy: -82.765 bonds (distance) P-C4' energy: -83.507 flat angles C4'-P-C4' energy: -112.166 flat angles P-C4'-P energy: -76.383 tors. eta vs tors. theta energy: -132.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -1532.566187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1532.566187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1532.566187 (E_RNA) where: Base-Base interactions energy: -1088.221 where: short stacking energy: -423.170 Base-Backbone interact. energy: -1.436 local terms energy: -442.909767 where: bonds (distance) C4'-P energy: -87.730 bonds (distance) P-C4' energy: -92.969 flat angles C4'-P-C4' energy: -102.541 flat angles P-C4'-P energy: -52.962 tors. eta vs tors. theta energy: -106.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -1375.506640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.506640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.506640 (E_RNA) where: Base-Base interactions energy: -951.745 where: short stacking energy: -435.758 Base-Backbone interact. energy: -2.159 local terms energy: -421.602338 where: bonds (distance) C4'-P energy: -77.400 bonds (distance) P-C4' energy: -77.250 flat angles C4'-P-C4' energy: -97.116 flat angles P-C4'-P energy: -60.190 tors. eta vs tors. theta energy: -109.646 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: 7, replica: 1 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -1352.925109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1352.925109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1352.925109 (E_RNA) where: Base-Base interactions energy: -899.750 where: short stacking energy: -430.459 Base-Backbone interact. energy: 0.181 local terms energy: -453.355809 where: bonds (distance) C4'-P energy: -72.858 bonds (distance) P-C4' energy: -89.583 flat angles C4'-P-C4' energy: -102.681 flat angles P-C4'-P energy: -73.059 tors. eta vs tors. theta energy: -115.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -1109.261626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.261626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.261626 (E_RNA) where: Base-Base interactions energy: -738.400 where: short stacking energy: -325.367 Base-Backbone interact. energy: 1.547 local terms energy: -372.408481 where: bonds (distance) C4'-P energy: -75.972 bonds (distance) P-C4' energy: -76.030 flat angles C4'-P-C4' energy: -82.829 flat angles P-C4'-P energy: -68.423 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: 9, replica: 4 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -944.521531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.521531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.521531 (E_RNA) where: Base-Base interactions energy: -616.705 where: short stacking energy: -269.510 Base-Backbone interact. energy: 1.318 local terms energy: -329.134987 where: bonds (distance) C4'-P energy: -88.551 bonds (distance) P-C4' energy: -79.170 flat angles C4'-P-C4' energy: -75.723 flat angles P-C4'-P energy: -39.215 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: 10, replica: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -691.867244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.867244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.867244 (E_RNA) where: Base-Base interactions energy: -383.052 where: short stacking energy: -187.071 Base-Backbone interact. energy: 0.245 local terms energy: -309.060649 where: bonds (distance) C4'-P energy: -76.235 bonds (distance) P-C4' energy: -89.996 flat angles C4'-P-C4' energy: -64.563 flat angles P-C4'-P energy: -52.635 tors. eta vs tors. theta energy: -25.632 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: 6 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1856.677751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1856.677751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1856.677751 (E_RNA) where: Base-Base interactions energy: -1308.762 where: short stacking energy: -560.212 Base-Backbone interact. energy: -3.316 local terms energy: -544.599502 where: bonds (distance) C4'-P energy: -94.961 bonds (distance) P-C4' energy: -104.983 flat angles C4'-P-C4' energy: -109.114 flat angles P-C4'-P energy: -75.115 tors. eta vs tors. theta energy: -160.427 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: 8 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1766.699501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.699501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.699501 (E_RNA) where: Base-Base interactions energy: -1240.034 where: short stacking energy: -526.423 Base-Backbone interact. energy: -3.036 local terms energy: -523.629576 where: bonds (distance) C4'-P energy: -93.778 bonds (distance) P-C4' energy: -90.158 flat angles C4'-P-C4' energy: -108.232 flat angles P-C4'-P energy: -80.466 tors. eta vs tors. theta energy: -150.995 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: 3, replica: 5 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1705.914974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1705.914974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1705.914974 (E_RNA) where: Base-Base interactions energy: -1203.387 where: short stacking energy: -532.938 Base-Backbone interact. energy: -1.898 local terms energy: -500.630008 where: bonds (distance) C4'-P energy: -77.646 bonds (distance) P-C4' energy: -95.560 flat angles C4'-P-C4' energy: -107.913 flat angles P-C4'-P energy: -71.589 tors. eta vs tors. theta energy: -147.923 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: 3 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -1574.872827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.872827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.872827 (E_RNA) where: Base-Base interactions energy: -1076.223 where: short stacking energy: -469.705 Base-Backbone interact. energy: 0.637 local terms energy: -499.286376 where: bonds (distance) C4'-P energy: -97.881 bonds (distance) P-C4' energy: -95.036 flat angles C4'-P-C4' energy: -107.848 flat angles P-C4'-P energy: -69.506 tors. eta vs tors. theta energy: -129.016 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: 7 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -1548.455491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1548.455491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1548.455491 (E_RNA) where: Base-Base interactions energy: -1120.028 where: short stacking energy: -466.268 Base-Backbone interact. energy: 3.886 local terms energy: -432.313120 where: bonds (distance) C4'-P energy: -67.540 bonds (distance) P-C4' energy: -90.055 flat angles C4'-P-C4' energy: -92.725 flat angles P-C4'-P energy: -53.418 tors. eta vs tors. theta energy: -128.576 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: 9 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -1328.503210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.503210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.503210 (E_RNA) where: Base-Base interactions energy: -906.603 where: short stacking energy: -410.239 Base-Backbone interact. energy: -0.747 local terms energy: -421.152466 where: bonds (distance) C4'-P energy: -86.769 bonds (distance) P-C4' energy: -93.681 flat angles C4'-P-C4' energy: -79.435 flat angles P-C4'-P energy: -55.361 tors. eta vs tors. theta energy: -105.906 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: 435 Temperature: 1.200000 Total energy: -1364.676307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.676307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.676307 (E_RNA) where: Base-Base interactions energy: -949.481 where: short stacking energy: -413.372 Base-Backbone interact. energy: 0.013 local terms energy: -415.207565 where: bonds (distance) C4'-P energy: -84.208 bonds (distance) P-C4' energy: -74.538 flat angles C4'-P-C4' energy: -98.249 flat angles P-C4'-P energy: -51.436 tors. eta vs tors. theta energy: -106.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -1114.298599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.298599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.298599 (E_RNA) where: Base-Base interactions energy: -774.236 where: short stacking energy: -347.979 Base-Backbone interact. energy: -1.218 local terms energy: -338.844724 where: bonds (distance) C4'-P energy: -76.156 bonds (distance) P-C4' energy: -82.864 flat angles C4'-P-C4' energy: -82.574 flat angles P-C4'-P energy: -31.578 tors. eta vs tors. theta energy: -65.671 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: 4 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -913.910935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.910935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.910935 (E_RNA) where: Base-Base interactions energy: -597.293 where: short stacking energy: -290.470 Base-Backbone interact. energy: -3.438 local terms energy: -313.180062 where: bonds (distance) C4'-P energy: -57.951 bonds (distance) P-C4' energy: -72.388 flat angles C4'-P-C4' energy: -75.575 flat angles P-C4'-P energy: -49.168 tors. eta vs tors. theta energy: -58.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -765.421070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.421070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.421070 (E_RNA) where: Base-Base interactions energy: -463.295 where: short stacking energy: -230.793 Base-Backbone interact. energy: -0.964 local terms energy: -301.162495 where: bonds (distance) C4'-P energy: -81.463 bonds (distance) P-C4' energy: -74.181 flat angles C4'-P-C4' energy: -78.183 flat angles P-C4'-P energy: -47.676 tors. eta vs tors. theta energy: -19.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1859.707029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1859.707029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1859.707029 (E_RNA) where: Base-Base interactions energy: -1308.591 where: short stacking energy: -567.756 Base-Backbone interact. energy: 1.271 local terms energy: -552.386902 where: bonds (distance) C4'-P energy: -94.966 bonds (distance) P-C4' energy: -99.619 flat angles C4'-P-C4' energy: -107.172 flat angles P-C4'-P energy: -89.300 tors. eta vs tors. theta energy: -161.331 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: 8 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1758.349456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1758.349456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1758.349456 (E_RNA) where: Base-Base interactions energy: -1205.394 where: short stacking energy: -534.958 Base-Backbone interact. energy: -0.177 local terms energy: -552.778188 where: bonds (distance) C4'-P energy: -99.590 bonds (distance) P-C4' energy: -96.461 flat angles C4'-P-C4' energy: -121.755 flat angles P-C4'-P energy: -78.994 tors. eta vs tors. theta energy: -155.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1732.842520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1732.842520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1732.842520 (E_RNA) where: Base-Base interactions energy: -1222.899 where: short stacking energy: -527.601 Base-Backbone interact. energy: 4.194 local terms energy: -514.137248 where: bonds (distance) C4'-P energy: -94.067 bonds (distance) P-C4' energy: -84.037 flat angles C4'-P-C4' energy: -109.661 flat angles P-C4'-P energy: -78.729 tors. eta vs tors. theta energy: -147.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1584.665004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1584.665004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1584.665004 (E_RNA) where: Base-Base interactions energy: -1104.091 where: short stacking energy: -466.486 Base-Backbone interact. energy: 0.831 local terms energy: -481.404729 where: bonds (distance) C4'-P energy: -86.413 bonds (distance) P-C4' energy: -105.538 flat angles C4'-P-C4' energy: -101.370 flat angles P-C4'-P energy: -60.822 tors. eta vs tors. theta energy: -127.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -1594.926157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.926157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.926157 (E_RNA) where: Base-Base interactions energy: -1123.628 where: short stacking energy: -481.628 Base-Backbone interact. energy: -1.298 local terms energy: -470.000824 where: bonds (distance) C4'-P energy: -77.600 bonds (distance) P-C4' energy: -95.805 flat angles C4'-P-C4' energy: -104.878 flat angles P-C4'-P energy: -59.947 tors. eta vs tors. theta energy: -131.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -1379.059835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1379.059835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1379.059835 (E_RNA) where: Base-Base interactions energy: -939.793 where: short stacking energy: -439.163 Base-Backbone interact. energy: -1.432 local terms energy: -437.834847 where: bonds (distance) C4'-P energy: -79.090 bonds (distance) P-C4' energy: -83.031 flat angles C4'-P-C4' energy: -95.523 flat angles P-C4'-P energy: -65.649 tors. eta vs tors. theta energy: -114.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -1376.082361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.082361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.082361 (E_RNA) where: Base-Base interactions energy: -959.228 where: short stacking energy: -437.977 Base-Backbone interact. energy: 0.852 local terms energy: -417.706971 where: bonds (distance) C4'-P energy: -74.465 bonds (distance) P-C4' energy: -88.912 flat angles C4'-P-C4' energy: -88.130 flat angles P-C4'-P energy: -42.686 tors. eta vs tors. theta energy: -123.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -1152.126467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.126467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.126467 (E_RNA) where: Base-Base interactions energy: -777.718 where: short stacking energy: -335.360 Base-Backbone interact. energy: -1.045 local terms energy: -373.363433 where: bonds (distance) C4'-P energy: -75.260 bonds (distance) P-C4' energy: -93.935 flat angles C4'-P-C4' energy: -91.194 flat angles P-C4'-P energy: -51.160 tors. eta vs tors. theta energy: -61.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -919.417630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.417630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.417630 (E_RNA) where: Base-Base interactions energy: -561.425 where: short stacking energy: -274.971 Base-Backbone interact. energy: -2.091 local terms energy: -355.901106 where: bonds (distance) C4'-P energy: -75.247 bonds (distance) P-C4' energy: -83.306 flat angles C4'-P-C4' energy: -79.433 flat angles P-C4'-P energy: -58.004 tors. eta vs tors. theta energy: -59.911 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: 10 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -791.202817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.202817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.202817 (E_RNA) where: Base-Base interactions energy: -473.236 where: short stacking energy: -222.529 Base-Backbone interact. energy: -0.818 local terms energy: -317.149418 where: bonds (distance) C4'-P energy: -81.844 bonds (distance) P-C4' energy: -57.222 flat angles C4'-P-C4' energy: -86.654 flat angles P-C4'-P energy: -50.787 tors. eta vs tors. theta energy: -40.643 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: 6 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1865.355548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.355548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.355548 (E_RNA) where: Base-Base interactions energy: -1328.586 where: short stacking energy: -579.787 Base-Backbone interact. energy: -2.002 local terms energy: -534.767517 where: bonds (distance) C4'-P energy: -81.937 bonds (distance) P-C4' energy: -103.303 flat angles C4'-P-C4' energy: -109.971 flat angles P-C4'-P energy: -80.706 tors. eta vs tors. theta energy: -158.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1754.800393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.800393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.800393 (E_RNA) where: Base-Base interactions energy: -1224.729 where: short stacking energy: -533.964 Base-Backbone interact. energy: -2.371 local terms energy: -527.699897 where: bonds (distance) C4'-P energy: -97.287 bonds (distance) P-C4' energy: -93.807 flat angles C4'-P-C4' energy: -115.173 flat angles P-C4'-P energy: -73.522 tors. eta vs tors. theta energy: -147.911 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: 3, replica: 8 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1722.927202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.927202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.927202 (E_RNA) where: Base-Base interactions energy: -1195.495 where: short stacking energy: -519.889 Base-Backbone interact. energy: -1.325 local terms energy: -526.107194 where: bonds (distance) C4'-P energy: -90.922 bonds (distance) P-C4' energy: -97.962 flat angles C4'-P-C4' energy: -114.362 flat angles P-C4'-P energy: -75.518 tors. eta vs tors. theta energy: -147.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1545.524786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1545.524786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1545.524786 (E_RNA) where: Base-Base interactions energy: -1076.195 where: short stacking energy: -464.360 Base-Backbone interact. energy: 1.561 local terms energy: -470.891209 where: bonds (distance) C4'-P energy: -88.822 bonds (distance) P-C4' energy: -92.265 flat angles C4'-P-C4' energy: -110.115 flat angles P-C4'-P energy: -53.787 tors. eta vs tors. theta energy: -125.902 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: 7 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -1568.047668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1568.047668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1568.047668 (E_RNA) where: Base-Base interactions energy: -1093.803 where: short stacking energy: -460.479 Base-Backbone interact. energy: 0.067 local terms energy: -474.311725 where: bonds (distance) C4'-P energy: -74.688 bonds (distance) P-C4' energy: -94.678 flat angles C4'-P-C4' energy: -107.538 flat angles P-C4'-P energy: -64.541 tors. eta vs tors. theta energy: -132.866 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: 437 Temperature: 1.150000 Total energy: -1391.989898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.989898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.989898 (E_RNA) where: Base-Base interactions energy: -927.561 where: short stacking energy: -421.543 Base-Backbone interact. energy: 9.361 local terms energy: -473.790147 where: bonds (distance) C4'-P energy: -82.516 bonds (distance) P-C4' energy: -96.320 flat angles C4'-P-C4' energy: -102.062 flat angles P-C4'-P energy: -74.200 tors. eta vs tors. theta energy: -118.693 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: 437 Temperature: 1.200000 Total energy: -1321.851805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1321.851805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1321.851805 (E_RNA) where: Base-Base interactions energy: -892.490 where: short stacking energy: -409.913 Base-Backbone interact. energy: 0.294 local terms energy: -429.655854 where: bonds (distance) C4'-P energy: -80.300 bonds (distance) P-C4' energy: -84.504 flat angles C4'-P-C4' energy: -102.679 flat angles P-C4'-P energy: -53.943 tors. eta vs tors. theta energy: -108.230 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: 2 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -1141.582496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.582496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.582496 (E_RNA) where: Base-Base interactions energy: -802.313 where: short stacking energy: -330.300 Base-Backbone interact. energy: -1.866 local terms energy: -337.403272 where: bonds (distance) C4'-P energy: -64.865 bonds (distance) P-C4' energy: -71.066 flat angles C4'-P-C4' energy: -73.385 flat angles P-C4'-P energy: -53.287 tors. eta vs tors. theta energy: -74.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -932.272475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.272475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.272475 (E_RNA) where: Base-Base interactions energy: -603.990 where: short stacking energy: -274.449 Base-Backbone interact. energy: 0.618 local terms energy: -328.900233 where: bonds (distance) C4'-P energy: -76.332 bonds (distance) P-C4' energy: -72.405 flat angles C4'-P-C4' energy: -84.042 flat angles P-C4'-P energy: -38.148 tors. eta vs tors. theta energy: -57.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -766.268693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.268693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.268693 (E_RNA) where: Base-Base interactions energy: -487.820 where: short stacking energy: -230.697 Base-Backbone interact. energy: 6.162 local terms energy: -284.610694 where: bonds (distance) C4'-P energy: -66.536 bonds (distance) P-C4' energy: -79.272 flat angles C4'-P-C4' energy: -67.474 flat angles P-C4'-P energy: -49.697 tors. eta vs tors. theta energy: -21.632 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: 6 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1884.978542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.978542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.978542 (E_RNA) where: Base-Base interactions energy: -1343.314 where: short stacking energy: -576.461 Base-Backbone interact. energy: 0.548 local terms energy: -542.212217 where: bonds (distance) C4'-P energy: -98.554 bonds (distance) P-C4' energy: -98.499 flat angles C4'-P-C4' energy: -106.725 flat angles P-C4'-P energy: -69.862 tors. eta vs tors. theta energy: -168.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1754.405745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.405745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.405745 (E_RNA) where: Base-Base interactions energy: -1202.642 where: short stacking energy: -516.851 Base-Backbone interact. energy: -3.975 local terms energy: -547.788790 where: bonds (distance) C4'-P energy: -102.994 bonds (distance) P-C4' energy: -100.191 flat angles C4'-P-C4' energy: -114.967 flat angles P-C4'-P energy: -79.581 tors. eta vs tors. theta energy: -150.057 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: 8 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1750.085096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.085096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.085096 (E_RNA) where: Base-Base interactions energy: -1230.466 where: short stacking energy: -536.176 Base-Backbone interact. energy: 1.710 local terms energy: -521.328741 where: bonds (distance) C4'-P energy: -91.239 bonds (distance) P-C4' energy: -91.439 flat angles C4'-P-C4' energy: -115.509 flat angles P-C4'-P energy: -66.655 tors. eta vs tors. theta energy: -156.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -1585.711277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1585.711277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1585.711277 (E_RNA) where: Base-Base interactions energy: -1081.198 where: short stacking energy: -476.907 Base-Backbone interact. energy: -2.838 local terms energy: -501.674397 where: bonds (distance) C4'-P energy: -95.767 bonds (distance) P-C4' energy: -86.591 flat angles C4'-P-C4' energy: -107.046 flat angles P-C4'-P energy: -62.540 tors. eta vs tors. theta energy: -149.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -1556.953471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1556.953471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1556.953471 (E_RNA) where: Base-Base interactions energy: -1093.178 where: short stacking energy: -458.014 Base-Backbone interact. energy: 0.237 local terms energy: -464.012355 where: bonds (distance) C4'-P energy: -83.815 bonds (distance) P-C4' energy: -98.099 flat angles C4'-P-C4' energy: -96.878 flat angles P-C4'-P energy: -59.722 tors. eta vs tors. theta energy: -125.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -1341.465742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1341.465742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1341.465742 (E_RNA) where: Base-Base interactions energy: -934.372 where: short stacking energy: -415.463 Base-Backbone interact. energy: -0.377 local terms energy: -406.716259 where: bonds (distance) C4'-P energy: -63.142 bonds (distance) P-C4' energy: -85.444 flat angles C4'-P-C4' energy: -90.403 flat angles P-C4'-P energy: -70.489 tors. eta vs tors. theta energy: -97.237 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: 9 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -1259.914101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.914101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.914101 (E_RNA) where: Base-Base interactions energy: -856.005 where: short stacking energy: -379.288 Base-Backbone interact. energy: -0.255 local terms energy: -403.654549 where: bonds (distance) C4'-P energy: -70.604 bonds (distance) P-C4' energy: -81.804 flat angles C4'-P-C4' energy: -89.478 flat angles P-C4'-P energy: -57.622 tors. eta vs tors. theta energy: -104.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -1152.074532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.074532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.074532 (E_RNA) where: Base-Base interactions energy: -777.318 where: short stacking energy: -349.511 Base-Backbone interact. energy: 3.667 local terms energy: -378.423765 where: bonds (distance) C4'-P energy: -79.313 bonds (distance) P-C4' energy: -83.795 flat angles C4'-P-C4' energy: -89.817 flat angles P-C4'-P energy: -50.482 tors. eta vs tors. theta energy: -75.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -894.192001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.192001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.192001 (E_RNA) where: Base-Base interactions energy: -572.321 where: short stacking energy: -259.437 Base-Backbone interact. energy: 2.457 local terms energy: -324.328435 where: bonds (distance) C4'-P energy: -75.003 bonds (distance) P-C4' energy: -80.706 flat angles C4'-P-C4' energy: -83.978 flat angles P-C4'-P energy: -36.590 tors. eta vs tors. theta energy: -48.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -793.801233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.801233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.801233 (E_RNA) where: Base-Base interactions energy: -491.169 where: short stacking energy: -237.097 Base-Backbone interact. energy: -2.307 local terms energy: -300.325335 where: bonds (distance) C4'-P energy: -75.290 bonds (distance) P-C4' energy: -84.590 flat angles C4'-P-C4' energy: -78.785 flat angles P-C4'-P energy: -40.486 tors. eta vs tors. theta energy: -21.175 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: 6 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1878.277754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.277754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.277754 (E_RNA) where: Base-Base interactions energy: -1327.887 where: short stacking energy: -548.585 Base-Backbone interact. energy: -3.529 local terms energy: -546.861015 where: bonds (distance) C4'-P energy: -103.052 bonds (distance) P-C4' energy: -98.774 flat angles C4'-P-C4' energy: -118.400 flat angles P-C4'-P energy: -65.613 tors. eta vs tors. theta energy: -161.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1744.538974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.538974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.538974 (E_RNA) where: Base-Base interactions energy: -1228.550 where: short stacking energy: -510.251 Base-Backbone interact. energy: -1.278 local terms energy: -514.711365 where: bonds (distance) C4'-P energy: -87.336 bonds (distance) P-C4' energy: -89.750 flat angles C4'-P-C4' energy: -115.678 flat angles P-C4'-P energy: -72.527 tors. eta vs tors. theta energy: -149.421 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: 3, replica: 5 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1739.612333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.612333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.612333 (E_RNA) where: Base-Base interactions energy: -1229.686 where: short stacking energy: -528.173 Base-Backbone interact. energy: -2.238 local terms energy: -507.688585 where: bonds (distance) C4'-P energy: -90.410 bonds (distance) P-C4' energy: -90.987 flat angles C4'-P-C4' energy: -103.353 flat angles P-C4'-P energy: -82.181 tors. eta vs tors. theta energy: -140.758 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: 3 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -1557.234438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1557.234438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1557.234438 (E_RNA) where: Base-Base interactions energy: -1068.827 where: short stacking energy: -465.158 Base-Backbone interact. energy: -3.311 local terms energy: -485.096921 where: bonds (distance) C4'-P energy: -88.443 bonds (distance) P-C4' energy: -83.714 flat angles C4'-P-C4' energy: -109.113 flat angles P-C4'-P energy: -70.945 tors. eta vs tors. theta energy: -132.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -1523.619260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.619260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.619260 (E_RNA) where: Base-Base interactions energy: -1059.305 where: short stacking energy: -433.623 Base-Backbone interact. energy: -1.732 local terms energy: -462.582550 where: bonds (distance) C4'-P energy: -98.722 bonds (distance) P-C4' energy: -89.202 flat angles C4'-P-C4' energy: -97.990 flat angles P-C4'-P energy: -62.873 tors. eta vs tors. theta energy: -113.796 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: 1 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -1368.047266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1368.047266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1368.047266 (E_RNA) where: Base-Base interactions energy: -941.952 where: short stacking energy: -420.763 Base-Backbone interact. energy: -1.255 local terms energy: -424.840095 where: bonds (distance) C4'-P energy: -75.915 bonds (distance) P-C4' energy: -84.124 flat angles C4'-P-C4' energy: -96.586 flat angles P-C4'-P energy: -60.344 tors. eta vs tors. theta energy: -107.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -1278.148227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.148227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.148227 (E_RNA) where: Base-Base interactions energy: -858.364 where: short stacking energy: -375.871 Base-Backbone interact. energy: -0.654 local terms energy: -419.130322 where: bonds (distance) C4'-P energy: -87.439 bonds (distance) P-C4' energy: -80.908 flat angles C4'-P-C4' energy: -93.644 flat angles P-C4'-P energy: -61.981 tors. eta vs tors. theta energy: -95.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -1133.439439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.439439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.439439 (E_RNA) where: Base-Base interactions energy: -782.133 where: short stacking energy: -333.866 Base-Backbone interact. energy: -2.322 local terms energy: -348.984318 where: bonds (distance) C4'-P energy: -67.487 bonds (distance) P-C4' energy: -78.197 flat angles C4'-P-C4' energy: -80.793 flat angles P-C4'-P energy: -55.425 tors. eta vs tors. theta energy: -67.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -948.929514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.929514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.929514 (E_RNA) where: Base-Base interactions energy: -604.508 where: short stacking energy: -279.385 Base-Backbone interact. energy: -0.462 local terms energy: -343.959090 where: bonds (distance) C4'-P energy: -59.316 bonds (distance) P-C4' energy: -84.438 flat angles C4'-P-C4' energy: -93.626 flat angles P-C4'-P energy: -51.841 tors. eta vs tors. theta energy: -54.738 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: 10, replica: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -798.834324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.834324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.834324 (E_RNA) where: Base-Base interactions energy: -502.896 where: short stacking energy: -233.512 Base-Backbone interact. energy: -1.849 local terms energy: -294.088734 where: bonds (distance) C4'-P energy: -77.706 bonds (distance) P-C4' energy: -81.669 flat angles C4'-P-C4' energy: -75.989 flat angles P-C4'-P energy: -41.848 tors. eta vs tors. theta energy: -16.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1865.117946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.117946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.117946 (E_RNA) where: Base-Base interactions energy: -1325.431 where: short stacking energy: -560.560 Base-Backbone interact. energy: 0.665 local terms energy: -540.352530 where: bonds (distance) C4'-P energy: -95.036 bonds (distance) P-C4' energy: -103.812 flat angles C4'-P-C4' energy: -109.894 flat angles P-C4'-P energy: -68.378 tors. eta vs tors. theta energy: -163.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1781.240694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.240694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.240694 (E_RNA) where: Base-Base interactions energy: -1238.606 where: short stacking energy: -547.665 Base-Backbone interact. energy: -0.280 local terms energy: -542.355216 where: bonds (distance) C4'-P energy: -99.627 bonds (distance) P-C4' energy: -95.912 flat angles C4'-P-C4' energy: -111.977 flat angles P-C4'-P energy: -72.810 tors. eta vs tors. theta energy: -162.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1721.668551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.668551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.668551 (E_RNA) where: Base-Base interactions energy: -1209.775 where: short stacking energy: -503.717 Base-Backbone interact. energy: -1.065 local terms energy: -510.828605 where: bonds (distance) C4'-P energy: -86.860 bonds (distance) P-C4' energy: -99.036 flat angles C4'-P-C4' energy: -117.991 flat angles P-C4'-P energy: -68.993 tors. eta vs tors. theta energy: -137.949 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: 4, replica: 3 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -1551.043782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.043782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.043782 (E_RNA) where: Base-Base interactions energy: -1073.406 where: short stacking energy: -471.981 Base-Backbone interact. energy: -1.556 local terms energy: -476.081733 where: bonds (distance) C4'-P energy: -79.125 bonds (distance) P-C4' energy: -91.605 flat angles C4'-P-C4' energy: -95.416 flat angles P-C4'-P energy: -73.076 tors. eta vs tors. theta energy: -136.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -1540.660091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1540.660091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1540.660091 (E_RNA) where: Base-Base interactions energy: -1067.983 where: short stacking energy: -444.942 Base-Backbone interact. energy: 2.073 local terms energy: -474.749827 where: bonds (distance) C4'-P energy: -97.186 bonds (distance) P-C4' energy: -96.671 flat angles C4'-P-C4' energy: -99.494 flat angles P-C4'-P energy: -63.235 tors. eta vs tors. theta energy: -118.164 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: 1 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -1388.746527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1388.746527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1388.746527 (E_RNA) where: Base-Base interactions energy: -949.941 where: short stacking energy: -403.680 Base-Backbone interact. energy: -0.903 local terms energy: -437.902740 where: bonds (distance) C4'-P energy: -85.568 bonds (distance) P-C4' energy: -77.370 flat angles C4'-P-C4' energy: -88.381 flat angles P-C4'-P energy: -71.759 tors. eta vs tors. theta energy: -114.825 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: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -1259.473866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1259.473866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1259.473866 (E_RNA) where: Base-Base interactions energy: -875.713 where: short stacking energy: -380.115 Base-Backbone interact. energy: -2.003 local terms energy: -381.758431 where: bonds (distance) C4'-P energy: -65.878 bonds (distance) P-C4' energy: -80.711 flat angles C4'-P-C4' energy: -88.335 flat angles P-C4'-P energy: -49.070 tors. eta vs tors. theta energy: -97.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -1141.235855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.235855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.235855 (E_RNA) where: Base-Base interactions energy: -750.813 where: short stacking energy: -343.098 Base-Backbone interact. energy: -0.672 local terms energy: -389.750907 where: bonds (distance) C4'-P energy: -88.298 bonds (distance) P-C4' energy: -91.864 flat angles C4'-P-C4' energy: -87.721 flat angles P-C4'-P energy: -55.269 tors. eta vs tors. theta energy: -66.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -895.266085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.266085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.266085 (E_RNA) where: Base-Base interactions energy: -559.823 where: short stacking energy: -267.857 Base-Backbone interact. energy: 0.354 local terms energy: -335.797269 where: bonds (distance) C4'-P energy: -76.576 bonds (distance) P-C4' energy: -78.826 flat angles C4'-P-C4' energy: -87.806 flat angles P-C4'-P energy: -45.887 tors. eta vs tors. theta energy: -46.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -840.990978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.990978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.990978 (E_RNA) where: Base-Base interactions energy: -507.750 where: short stacking energy: -231.352 Base-Backbone interact. energy: -2.901 local terms energy: -330.340303 where: bonds (distance) C4'-P energy: -68.537 bonds (distance) P-C4' energy: -84.830 flat angles C4'-P-C4' energy: -92.637 flat angles P-C4'-P energy: -46.263 tors. eta vs tors. theta energy: -38.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1863.307432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1863.307432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1863.307432 (E_RNA) where: Base-Base interactions energy: -1316.570 where: short stacking energy: -559.265 Base-Backbone interact. energy: -2.495 local terms energy: -544.242505 where: bonds (distance) C4'-P energy: -94.045 bonds (distance) P-C4' energy: -95.568 flat angles C4'-P-C4' energy: -113.506 flat angles P-C4'-P energy: -85.433 tors. eta vs tors. theta energy: -155.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1768.805116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.805116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.805116 (E_RNA) where: Base-Base interactions energy: -1233.036 where: short stacking energy: -542.862 Base-Backbone interact. energy: -1.004 local terms energy: -534.764701 where: bonds (distance) C4'-P energy: -91.235 bonds (distance) P-C4' energy: -93.025 flat angles C4'-P-C4' energy: -113.602 flat angles P-C4'-P energy: -76.610 tors. eta vs tors. theta energy: -160.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1724.982368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.982368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.982368 (E_RNA) where: Base-Base interactions energy: -1203.281 where: short stacking energy: -532.812 Base-Backbone interact. energy: -1.823 local terms energy: -519.878564 where: bonds (distance) C4'-P energy: -86.712 bonds (distance) P-C4' energy: -96.521 flat angles C4'-P-C4' energy: -116.254 flat angles P-C4'-P energy: -79.209 tors. eta vs tors. theta energy: -141.183 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: 3 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -1593.269593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1593.269593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1593.269593 (E_RNA) where: Base-Base interactions energy: -1100.744 where: short stacking energy: -497.205 Base-Backbone interact. energy: -3.882 local terms energy: -488.643317 where: bonds (distance) C4'-P energy: -101.213 bonds (distance) P-C4' energy: -91.710 flat angles C4'-P-C4' energy: -109.644 flat angles P-C4'-P energy: -52.486 tors. eta vs tors. theta energy: -133.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -1572.404947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1572.404947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1572.404947 (E_RNA) where: Base-Base interactions energy: -1103.202 where: short stacking energy: -462.255 Base-Backbone interact. energy: -1.490 local terms energy: -467.712633 where: bonds (distance) C4'-P energy: -89.961 bonds (distance) P-C4' energy: -92.440 flat angles C4'-P-C4' energy: -106.084 flat angles P-C4'-P energy: -61.026 tors. eta vs tors. theta energy: -118.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -1403.156713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.156713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.156713 (E_RNA) where: Base-Base interactions energy: -972.682 where: short stacking energy: -429.275 Base-Backbone interact. energy: 0.430 local terms energy: -430.904583 where: bonds (distance) C4'-P energy: -87.466 bonds (distance) P-C4' energy: -85.115 flat angles C4'-P-C4' energy: -96.415 flat angles P-C4'-P energy: -51.364 tors. eta vs tors. theta energy: -110.545 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: 7, replica: 9 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -1320.487305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.487305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.487305 (E_RNA) where: Base-Base interactions energy: -901.648 where: short stacking energy: -399.364 Base-Backbone interact. energy: 1.144 local terms energy: -419.982869 where: bonds (distance) C4'-P energy: -72.178 bonds (distance) P-C4' energy: -87.174 flat angles C4'-P-C4' energy: -92.263 flat angles P-C4'-P energy: -64.775 tors. eta vs tors. theta energy: -103.593 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: 2 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -1125.419443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.419443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.419443 (E_RNA) where: Base-Base interactions energy: -756.827 where: short stacking energy: -334.948 Base-Backbone interact. energy: -0.656 local terms energy: -367.935988 where: bonds (distance) C4'-P energy: -76.142 bonds (distance) P-C4' energy: -88.961 flat angles C4'-P-C4' energy: -88.821 flat angles P-C4'-P energy: -42.498 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: 9, replica: 4 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -960.699830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.699830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.699830 (E_RNA) where: Base-Base interactions energy: -614.147 where: short stacking energy: -317.010 Base-Backbone interact. energy: -0.785 local terms energy: -345.768518 where: bonds (distance) C4'-P energy: -80.484 bonds (distance) P-C4' energy: -69.746 flat angles C4'-P-C4' energy: -87.262 flat angles P-C4'-P energy: -49.121 tors. eta vs tors. theta energy: -59.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -771.373974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.373974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.373974 (E_RNA) where: Base-Base interactions energy: -466.072 where: short stacking energy: -220.184 Base-Backbone interact. energy: -1.157 local terms energy: -304.145199 where: bonds (distance) C4'-P energy: -73.946 bonds (distance) P-C4' energy: -86.624 flat angles C4'-P-C4' energy: -64.273 flat angles P-C4'-P energy: -53.550 tors. eta vs tors. theta energy: -25.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1855.335169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1855.335169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1855.335169 (E_RNA) where: Base-Base interactions energy: -1317.976 where: short stacking energy: -562.684 Base-Backbone interact. energy: -3.035 local terms energy: -534.323773 where: bonds (distance) C4'-P energy: -93.997 bonds (distance) P-C4' energy: -90.328 flat angles C4'-P-C4' energy: -110.815 flat angles P-C4'-P energy: -76.077 tors. eta vs tors. theta energy: -163.107 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: 8 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1745.614303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1745.614303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1745.614303 (E_RNA) where: Base-Base interactions energy: -1197.672 where: short stacking energy: -516.902 Base-Backbone interact. energy: -2.754 local terms energy: -545.188207 where: bonds (distance) C4'-P energy: -94.136 bonds (distance) P-C4' energy: -101.094 flat angles C4'-P-C4' energy: -106.433 flat angles P-C4'-P energy: -81.514 tors. eta vs tors. theta energy: -162.010 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: 5 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1725.661260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.661260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.661260 (E_RNA) where: Base-Base interactions energy: -1209.037 where: short stacking energy: -515.664 Base-Backbone interact. energy: -1.767 local terms energy: -514.857635 where: bonds (distance) C4'-P energy: -102.477 bonds (distance) P-C4' energy: -86.962 flat angles C4'-P-C4' energy: -110.473 flat angles P-C4'-P energy: -68.232 tors. eta vs tors. theta energy: -146.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -1574.253257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.253257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.253257 (E_RNA) where: Base-Base interactions energy: -1072.323 where: short stacking energy: -482.389 Base-Backbone interact. energy: -2.089 local terms energy: -499.841693 where: bonds (distance) C4'-P energy: -94.513 bonds (distance) P-C4' energy: -91.806 flat angles C4'-P-C4' energy: -102.111 flat angles P-C4'-P energy: -65.766 tors. eta vs tors. theta energy: -145.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -1576.873316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1576.873316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1576.873316 (E_RNA) where: Base-Base interactions energy: -1108.890 where: short stacking energy: -449.966 Base-Backbone interact. energy: -1.979 local terms energy: -466.004887 where: bonds (distance) C4'-P energy: -86.083 bonds (distance) P-C4' energy: -86.611 flat angles C4'-P-C4' energy: -113.661 flat angles P-C4'-P energy: -54.036 tors. eta vs tors. theta energy: -125.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -1382.882925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1382.882925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1382.882925 (E_RNA) where: Base-Base interactions energy: -940.521 where: short stacking energy: -427.360 Base-Backbone interact. energy: -0.414 local terms energy: -441.948542 where: bonds (distance) C4'-P energy: -76.176 bonds (distance) P-C4' energy: -89.725 flat angles C4'-P-C4' energy: -96.123 flat angles P-C4'-P energy: -67.515 tors. eta vs tors. theta energy: -112.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -1359.293625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.293625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.293625 (E_RNA) where: Base-Base interactions energy: -945.092 where: short stacking energy: -410.377 Base-Backbone interact. energy: -1.069 local terms energy: -413.133420 where: bonds (distance) C4'-P energy: -87.950 bonds (distance) P-C4' energy: -75.112 flat angles C4'-P-C4' energy: -89.252 flat angles P-C4'-P energy: -53.371 tors. eta vs tors. theta energy: -107.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -1090.961719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.961719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.961719 (E_RNA) where: Base-Base interactions energy: -707.910 where: short stacking energy: -312.527 Base-Backbone interact. energy: -1.556 local terms energy: -381.495395 where: bonds (distance) C4'-P energy: -83.173 bonds (distance) P-C4' energy: -93.814 flat angles C4'-P-C4' energy: -93.740 flat angles P-C4'-P energy: -44.743 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: 9, replica: 4 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -927.966607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.966607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.966607 (E_RNA) where: Base-Base interactions energy: -612.279 where: short stacking energy: -286.132 Base-Backbone interact. energy: -2.966 local terms energy: -312.721063 where: bonds (distance) C4'-P energy: -68.682 bonds (distance) P-C4' energy: -73.873 flat angles C4'-P-C4' energy: -77.316 flat angles P-C4'-P energy: -40.866 tors. eta vs tors. theta energy: -51.985 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: 10, replica: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -689.380357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.380357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.380357 (E_RNA) where: Base-Base interactions energy: -423.831 where: short stacking energy: -220.454 Base-Backbone interact. energy: 2.963 local terms energy: -268.512259 where: bonds (distance) C4'-P energy: -54.447 bonds (distance) P-C4' energy: -85.302 flat angles C4'-P-C4' energy: -73.915 flat angles P-C4'-P energy: -37.366 tors. eta vs tors. theta energy: -17.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1866.338733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.338733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.338733 (E_RNA) where: Base-Base interactions energy: -1316.916 where: short stacking energy: -572.739 Base-Backbone interact. energy: 0.543 local terms energy: -549.966233 where: bonds (distance) C4'-P energy: -95.024 bonds (distance) P-C4' energy: -101.393 flat angles C4'-P-C4' energy: -114.065 flat angles P-C4'-P energy: -77.574 tors. eta vs tors. theta energy: -161.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1781.236188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.236188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.236188 (E_RNA) where: Base-Base interactions energy: -1249.430 where: short stacking energy: -522.488 Base-Backbone interact. energy: -1.758 local terms energy: -530.048772 where: bonds (distance) C4'-P energy: -96.516 bonds (distance) P-C4' energy: -106.405 flat angles C4'-P-C4' energy: -105.113 flat angles P-C4'-P energy: -79.866 tors. eta vs tors. theta energy: -142.149 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: 3, replica: 5 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1708.128411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.128411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.128411 (E_RNA) where: Base-Base interactions energy: -1200.101 where: short stacking energy: -504.422 Base-Backbone interact. energy: -3.804 local terms energy: -504.222981 where: bonds (distance) C4'-P energy: -103.962 bonds (distance) P-C4' energy: -93.815 flat angles C4'-P-C4' energy: -96.233 flat angles P-C4'-P energy: -74.096 tors. eta vs tors. theta energy: -136.117 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: 7 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -1615.558209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1615.558209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1615.558209 (E_RNA) where: Base-Base interactions energy: -1146.686 where: short stacking energy: -449.506 Base-Backbone interact. energy: -2.017 local terms energy: -466.854676 where: bonds (distance) C4'-P energy: -90.070 bonds (distance) P-C4' energy: -81.611 flat angles C4'-P-C4' energy: -104.362 flat angles P-C4'-P energy: -64.643 tors. eta vs tors. theta energy: -126.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -1543.348559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.348559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.348559 (E_RNA) where: Base-Base interactions energy: -1066.860 where: short stacking energy: -479.982 Base-Backbone interact. energy: 2.150 local terms energy: -478.637933 where: bonds (distance) C4'-P energy: -80.092 bonds (distance) P-C4' energy: -82.744 flat angles C4'-P-C4' energy: -106.297 flat angles P-C4'-P energy: -75.954 tors. eta vs tors. theta energy: -133.551 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: 443 Temperature: 1.150000 Total energy: -1391.454266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1391.454266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1391.454266 (E_RNA) where: Base-Base interactions energy: -926.774 where: short stacking energy: -407.686 Base-Backbone interact. energy: -1.033 local terms energy: -463.647840 where: bonds (distance) C4'-P energy: -94.302 bonds (distance) P-C4' energy: -90.455 flat angles C4'-P-C4' energy: -106.044 flat angles P-C4'-P energy: -60.433 tors. eta vs tors. theta energy: -112.414 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: 7, replica: 9 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -1266.542125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.542125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.542125 (E_RNA) where: Base-Base interactions energy: -860.205 where: short stacking energy: -347.003 Base-Backbone interact. energy: -1.628 local terms energy: -404.710006 where: bonds (distance) C4'-P energy: -84.567 bonds (distance) P-C4' energy: -76.749 flat angles C4'-P-C4' energy: -98.786 flat angles P-C4'-P energy: -60.209 tors. eta vs tors. theta energy: -84.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -1084.843674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.843674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.843674 (E_RNA) where: Base-Base interactions energy: -719.227 where: short stacking energy: -310.911 Base-Backbone interact. energy: -0.859 local terms energy: -364.757912 where: bonds (distance) C4'-P energy: -80.842 bonds (distance) P-C4' energy: -76.961 flat angles C4'-P-C4' energy: -82.346 flat angles P-C4'-P energy: -59.188 tors. eta vs tors. theta energy: -65.421 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: 9, replica: 4 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -972.719657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.719657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.719657 (E_RNA) where: Base-Base interactions energy: -621.312 where: short stacking energy: -308.171 Base-Backbone interact. energy: -0.914 local terms energy: -350.493317 where: bonds (distance) C4'-P energy: -91.489 bonds (distance) P-C4' energy: -68.484 flat angles C4'-P-C4' energy: -89.413 flat angles P-C4'-P energy: -41.330 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: 10, replica: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -762.460394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.460394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.460394 (E_RNA) where: Base-Base interactions energy: -434.833 where: short stacking energy: -235.293 Base-Backbone interact. energy: 2.287 local terms energy: -329.914492 where: bonds (distance) C4'-P energy: -79.700 bonds (distance) P-C4' energy: -96.243 flat angles C4'-P-C4' energy: -77.742 flat angles P-C4'-P energy: -46.502 tors. eta vs tors. theta energy: -29.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1879.097493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.097493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.097493 (E_RNA) where: Base-Base interactions energy: -1328.305 where: short stacking energy: -558.854 Base-Backbone interact. energy: -1.633 local terms energy: -549.160170 where: bonds (distance) C4'-P energy: -97.713 bonds (distance) P-C4' energy: -101.557 flat angles C4'-P-C4' energy: -118.152 flat angles P-C4'-P energy: -78.845 tors. eta vs tors. theta energy: -152.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1768.327403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.327403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.327403 (E_RNA) where: Base-Base interactions energy: -1231.881 where: short stacking energy: -517.170 Base-Backbone interact. energy: -3.018 local terms energy: -533.428660 where: bonds (distance) C4'-P energy: -94.647 bonds (distance) P-C4' energy: -111.732 flat angles C4'-P-C4' energy: -108.265 flat angles P-C4'-P energy: -65.373 tors. eta vs tors. theta energy: -153.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1689.908163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.908163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.908163 (E_RNA) where: Base-Base interactions energy: -1178.657 where: short stacking energy: -488.336 Base-Backbone interact. energy: -5.123 local terms energy: -506.127735 where: bonds (distance) C4'-P energy: -89.952 bonds (distance) P-C4' energy: -97.101 flat angles C4'-P-C4' energy: -106.176 flat angles P-C4'-P energy: -75.512 tors. eta vs tors. theta energy: -137.387 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: 7 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -1625.654907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1625.654907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1625.654907 (E_RNA) where: Base-Base interactions energy: -1137.209 where: short stacking energy: -471.846 Base-Backbone interact. energy: -2.125 local terms energy: -486.320100 where: bonds (distance) C4'-P energy: -74.016 bonds (distance) P-C4' energy: -97.767 flat angles C4'-P-C4' energy: -108.714 flat angles P-C4'-P energy: -71.271 tors. eta vs tors. theta energy: -134.552 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: 3 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -1528.501994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.501994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.501994 (E_RNA) where: Base-Base interactions energy: -1052.067 where: short stacking energy: -466.255 Base-Backbone interact. energy: -0.293 local terms energy: -476.141886 where: bonds (distance) C4'-P energy: -91.983 bonds (distance) P-C4' energy: -87.282 flat angles C4'-P-C4' energy: -101.810 flat angles P-C4'-P energy: -57.546 tors. eta vs tors. theta energy: -137.521 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: 6, replica: 1 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -1370.990433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.990433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.990433 (E_RNA) where: Base-Base interactions energy: -932.777 where: short stacking energy: -406.820 Base-Backbone interact. energy: -3.482 local terms energy: -434.731207 where: bonds (distance) C4'-P energy: -86.731 bonds (distance) P-C4' energy: -87.506 flat angles C4'-P-C4' energy: -100.051 flat angles P-C4'-P energy: -55.436 tors. eta vs tors. theta energy: -105.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -1310.108079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.108079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.108079 (E_RNA) where: Base-Base interactions energy: -900.978 where: short stacking energy: -394.746 Base-Backbone interact. energy: -1.628 local terms energy: -407.501449 where: bonds (distance) C4'-P energy: -82.895 bonds (distance) P-C4' energy: -89.638 flat angles C4'-P-C4' energy: -87.595 flat angles P-C4'-P energy: -54.441 tors. eta vs tors. theta energy: -92.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -1086.406765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.406765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.406765 (E_RNA) where: Base-Base interactions energy: -730.124 where: short stacking energy: -323.789 Base-Backbone interact. energy: -0.691 local terms energy: -355.592218 where: bonds (distance) C4'-P energy: -75.635 bonds (distance) P-C4' energy: -85.802 flat angles C4'-P-C4' energy: -80.699 flat angles P-C4'-P energy: -53.808 tors. eta vs tors. theta energy: -59.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -877.323034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.323034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.323034 (E_RNA) where: Base-Base interactions energy: -534.147 where: short stacking energy: -296.884 Base-Backbone interact. energy: -0.709 local terms energy: -342.466597 where: bonds (distance) C4'-P energy: -74.227 bonds (distance) P-C4' energy: -79.835 flat angles C4'-P-C4' energy: -91.158 flat angles P-C4'-P energy: -37.751 tors. eta vs tors. theta energy: -59.495 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: 10 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -774.760752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.760752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.760752 (E_RNA) where: Base-Base interactions energy: -501.827 where: short stacking energy: -241.984 Base-Backbone interact. energy: 1.349 local terms energy: -274.282291 where: bonds (distance) C4'-P energy: -52.803 bonds (distance) P-C4' energy: -86.293 flat angles C4'-P-C4' energy: -75.547 flat angles P-C4'-P energy: -35.951 tors. eta vs tors. theta energy: -23.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1862.558537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.558537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.558537 (E_RNA) where: Base-Base interactions energy: -1313.055 where: short stacking energy: -549.750 Base-Backbone interact. energy: -1.780 local terms energy: -547.722773 where: bonds (distance) C4'-P energy: -107.985 bonds (distance) P-C4' energy: -101.212 flat angles C4'-P-C4' energy: -110.964 flat angles P-C4'-P energy: -74.402 tors. eta vs tors. theta energy: -153.159 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: 2, replica: 8 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1783.008999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.008999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.008999 (E_RNA) where: Base-Base interactions energy: -1240.430 where: short stacking energy: -529.474 Base-Backbone interact. energy: -2.285 local terms energy: -540.294104 where: bonds (distance) C4'-P energy: -103.908 bonds (distance) P-C4' energy: -92.756 flat angles C4'-P-C4' energy: -110.647 flat angles P-C4'-P energy: -80.562 tors. eta vs tors. theta energy: -152.421 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: 3, replica: 5 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1722.679425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.679425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.679425 (E_RNA) where: Base-Base interactions energy: -1195.774 where: short stacking energy: -506.663 Base-Backbone interact. energy: -1.745 local terms energy: -525.160251 where: bonds (distance) C4'-P energy: -100.161 bonds (distance) P-C4' energy: -99.764 flat angles C4'-P-C4' energy: -105.970 flat angles P-C4'-P energy: -74.228 tors. eta vs tors. theta energy: -145.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1598.683156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.683156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.683156 (E_RNA) where: Base-Base interactions energy: -1119.454 where: short stacking energy: -461.025 Base-Backbone interact. energy: -1.145 local terms energy: -478.084213 where: bonds (distance) C4'-P energy: -89.639 bonds (distance) P-C4' energy: -109.838 flat angles C4'-P-C4' energy: -98.506 flat angles P-C4'-P energy: -65.929 tors. eta vs tors. theta energy: -114.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -1498.405675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1498.405675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1498.405675 (E_RNA) where: Base-Base interactions energy: -1024.220 where: short stacking energy: -440.560 Base-Backbone interact. energy: -1.737 local terms energy: -472.449271 where: bonds (distance) C4'-P energy: -87.529 bonds (distance) P-C4' energy: -77.675 flat angles C4'-P-C4' energy: -112.091 flat angles P-C4'-P energy: -76.244 tors. eta vs tors. theta energy: -118.910 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: 6, replica: 1 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -1410.212094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1410.212094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1410.212094 (E_RNA) where: Base-Base interactions energy: -953.446 where: short stacking energy: -441.075 Base-Backbone interact. energy: -0.597 local terms energy: -456.169570 where: bonds (distance) C4'-P energy: -96.431 bonds (distance) P-C4' energy: -89.412 flat angles C4'-P-C4' energy: -98.998 flat angles P-C4'-P energy: -53.070 tors. eta vs tors. theta energy: -118.258 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: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -1328.413274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1328.413274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1328.413274 (E_RNA) where: Base-Base interactions energy: -919.638 where: short stacking energy: -412.912 Base-Backbone interact. energy: -1.240 local terms energy: -407.534346 where: bonds (distance) C4'-P energy: -72.856 bonds (distance) P-C4' energy: -85.420 flat angles C4'-P-C4' energy: -96.545 flat angles P-C4'-P energy: -52.950 tors. eta vs tors. theta energy: -99.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -1148.340577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.340577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.340577 (E_RNA) where: Base-Base interactions energy: -770.770 where: short stacking energy: -341.116 Base-Backbone interact. energy: -1.978 local terms energy: -375.592605 where: bonds (distance) C4'-P energy: -81.597 bonds (distance) P-C4' energy: -74.270 flat angles C4'-P-C4' energy: -90.478 flat angles P-C4'-P energy: -57.626 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: 9, replica: 4 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -831.393170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.393170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.393170 (E_RNA) where: Base-Base interactions energy: -510.685 where: short stacking energy: -230.556 Base-Backbone interact. energy: 0.450 local terms energy: -321.158546 where: bonds (distance) C4'-P energy: -78.930 bonds (distance) P-C4' energy: -74.923 flat angles C4'-P-C4' energy: -63.199 flat angles P-C4'-P energy: -57.084 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: 10 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -759.486185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.486185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.486185 (E_RNA) where: Base-Base interactions energy: -498.118 where: short stacking energy: -236.323 Base-Backbone interact. energy: -2.558 local terms energy: -258.810331 where: bonds (distance) C4'-P energy: -61.958 bonds (distance) P-C4' energy: -79.821 flat angles C4'-P-C4' energy: -63.548 flat angles P-C4'-P energy: -28.655 tors. eta vs tors. theta energy: -24.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1829.793318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1829.793318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1829.793318 (E_RNA) where: Base-Base interactions energy: -1294.103 where: short stacking energy: -533.647 Base-Backbone interact. energy: -1.039 local terms energy: -534.651078 where: bonds (distance) C4'-P energy: -97.776 bonds (distance) P-C4' energy: -104.399 flat angles C4'-P-C4' energy: -107.041 flat angles P-C4'-P energy: -82.128 tors. eta vs tors. theta energy: -143.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1772.213143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.213143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.213143 (E_RNA) where: Base-Base interactions energy: -1236.118 where: short stacking energy: -527.498 Base-Backbone interact. energy: -1.847 local terms energy: -534.248038 where: bonds (distance) C4'-P energy: -104.409 bonds (distance) P-C4' energy: -100.557 flat angles C4'-P-C4' energy: -109.257 flat angles P-C4'-P energy: -76.109 tors. eta vs tors. theta energy: -143.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1703.112783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.112783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.112783 (E_RNA) where: Base-Base interactions energy: -1179.344 where: short stacking energy: -493.056 Base-Backbone interact. energy: -2.946 local terms energy: -520.823044 where: bonds (distance) C4'-P energy: -97.862 bonds (distance) P-C4' energy: -103.555 flat angles C4'-P-C4' energy: -115.162 flat angles P-C4'-P energy: -68.781 tors. eta vs tors. theta energy: -135.463 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: 446 Temperature: 1.050000 Total energy: -1571.776711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1571.776711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1571.776711 (E_RNA) where: Base-Base interactions energy: -1094.821 where: short stacking energy: -467.268 Base-Backbone interact. energy: -2.258 local terms energy: -474.696919 where: bonds (distance) C4'-P energy: -83.840 bonds (distance) P-C4' energy: -90.886 flat angles C4'-P-C4' energy: -97.980 flat angles P-C4'-P energy: -74.564 tors. eta vs tors. theta energy: -127.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -1459.080586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1459.080586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1459.080586 (E_RNA) where: Base-Base interactions energy: -994.140 where: short stacking energy: -445.914 Base-Backbone interact. energy: -3.529 local terms energy: -461.412002 where: bonds (distance) C4'-P energy: -80.043 bonds (distance) P-C4' energy: -101.160 flat angles C4'-P-C4' energy: -106.504 flat angles P-C4'-P energy: -63.445 tors. eta vs tors. theta energy: -110.261 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: 446 Temperature: 1.150000 Total energy: -1375.983208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1375.983208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1375.983208 (E_RNA) where: Base-Base interactions energy: -947.589 where: short stacking energy: -406.665 Base-Backbone interact. energy: -0.361 local terms energy: -428.032664 where: bonds (distance) C4'-P energy: -77.440 bonds (distance) P-C4' energy: -78.419 flat angles C4'-P-C4' energy: -99.105 flat angles P-C4'-P energy: -62.259 tors. eta vs tors. theta energy: -110.810 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: 9 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -1312.520206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1312.520206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1312.520206 (E_RNA) where: Base-Base interactions energy: -898.165 where: short stacking energy: -378.822 Base-Backbone interact. energy: -0.013 local terms energy: -414.342483 where: bonds (distance) C4'-P energy: -70.829 bonds (distance) P-C4' energy: -83.525 flat angles C4'-P-C4' energy: -101.184 flat angles P-C4'-P energy: -58.670 tors. eta vs tors. theta energy: -100.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -1112.610265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.610265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.610265 (E_RNA) where: Base-Base interactions energy: -722.747 where: short stacking energy: -322.617 Base-Backbone interact. energy: -1.531 local terms energy: -388.332038 where: bonds (distance) C4'-P energy: -80.479 bonds (distance) P-C4' energy: -88.687 flat angles C4'-P-C4' energy: -88.746 flat angles P-C4'-P energy: -56.895 tors. eta vs tors. theta energy: -73.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -811.326528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.326528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.326528 (E_RNA) where: Base-Base interactions energy: -491.756 where: short stacking energy: -257.558 Base-Backbone interact. energy: 3.425 local terms energy: -322.995736 where: bonds (distance) C4'-P energy: -73.035 bonds (distance) P-C4' energy: -86.493 flat angles C4'-P-C4' energy: -73.683 flat angles P-C4'-P energy: -49.497 tors. eta vs tors. theta energy: -40.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -787.629765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.629765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.629765 (E_RNA) where: Base-Base interactions energy: -488.692 where: short stacking energy: -219.859 Base-Backbone interact. energy: 5.839 local terms energy: -304.776173 where: bonds (distance) C4'-P energy: -71.398 bonds (distance) P-C4' energy: -84.646 flat angles C4'-P-C4' energy: -70.764 flat angles P-C4'-P energy: -48.913 tors. eta vs tors. theta energy: -29.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1862.758430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1862.758430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1862.758430 (E_RNA) where: Base-Base interactions energy: -1325.533 where: short stacking energy: -552.834 Base-Backbone interact. energy: -2.443 local terms energy: -534.782273 where: bonds (distance) C4'-P energy: -94.918 bonds (distance) P-C4' energy: -107.201 flat angles C4'-P-C4' energy: -112.504 flat angles P-C4'-P energy: -69.686 tors. eta vs tors. theta energy: -150.474 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: 2, replica: 8 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1781.727009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.727009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.727009 (E_RNA) where: Base-Base interactions energy: -1232.802 where: short stacking energy: -512.411 Base-Backbone interact. energy: -1.607 local terms energy: -547.317794 where: bonds (distance) C4'-P energy: -103.193 bonds (distance) P-C4' energy: -94.250 flat angles C4'-P-C4' energy: -113.107 flat angles P-C4'-P energy: -80.692 tors. eta vs tors. theta energy: -156.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1680.280068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1680.280068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1680.280068 (E_RNA) where: Base-Base interactions energy: -1176.744 where: short stacking energy: -490.981 Base-Backbone interact. energy: -0.716 local terms energy: -502.819862 where: bonds (distance) C4'-P energy: -78.719 bonds (distance) P-C4' energy: -97.321 flat angles C4'-P-C4' energy: -111.319 flat angles P-C4'-P energy: -70.780 tors. eta vs tors. theta energy: -144.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1594.707031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1594.707031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1594.707031 (E_RNA) where: Base-Base interactions energy: -1132.252 where: short stacking energy: -486.732 Base-Backbone interact. energy: 0.813 local terms energy: -463.268016 where: bonds (distance) C4'-P energy: -80.756 bonds (distance) P-C4' energy: -92.894 flat angles C4'-P-C4' energy: -97.350 flat angles P-C4'-P energy: -60.531 tors. eta vs tors. theta energy: -131.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -1474.355803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1474.355803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1474.355803 (E_RNA) where: Base-Base interactions energy: -1037.871 where: short stacking energy: -434.643 Base-Backbone interact. energy: 2.217 local terms energy: -438.702066 where: bonds (distance) C4'-P energy: -82.315 bonds (distance) P-C4' energy: -94.256 flat angles C4'-P-C4' energy: -85.721 flat angles P-C4'-P energy: -62.074 tors. eta vs tors. theta energy: -114.336 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: 9 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -1372.210685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1372.210685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1372.210685 (E_RNA) where: Base-Base interactions energy: -934.283 where: short stacking energy: -419.830 Base-Backbone interact. energy: -1.646 local terms energy: -436.281354 where: bonds (distance) C4'-P energy: -67.323 bonds (distance) P-C4' energy: -78.579 flat angles C4'-P-C4' energy: -106.984 flat angles P-C4'-P energy: -79.839 tors. eta vs tors. theta energy: -103.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -1333.954944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.954944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.954944 (E_RNA) where: Base-Base interactions energy: -902.357 where: short stacking energy: -403.975 Base-Backbone interact. energy: -0.104 local terms energy: -431.493114 where: bonds (distance) C4'-P energy: -85.427 bonds (distance) P-C4' energy: -81.147 flat angles C4'-P-C4' energy: -97.882 flat angles P-C4'-P energy: -55.151 tors. eta vs tors. theta energy: -111.886 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: 2 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -1089.541590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.541590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.541590 (E_RNA) where: Base-Base interactions energy: -754.635 where: short stacking energy: -332.215 Base-Backbone interact. energy: -2.187 local terms energy: -332.719743 where: bonds (distance) C4'-P energy: -74.619 bonds (distance) P-C4' energy: -76.534 flat angles C4'-P-C4' energy: -87.717 flat angles P-C4'-P energy: -35.731 tors. eta vs tors. theta energy: -58.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -858.386205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.386205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.386205 (E_RNA) where: Base-Base interactions energy: -511.433 where: short stacking energy: -269.567 Base-Backbone interact. energy: 2.466 local terms energy: -349.418593 where: bonds (distance) C4'-P energy: -82.481 bonds (distance) P-C4' energy: -74.445 flat angles C4'-P-C4' energy: -86.371 flat angles P-C4'-P energy: -50.436 tors. eta vs tors. theta energy: -55.685 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: 4 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -794.398954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.398954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.398954 (E_RNA) where: Base-Base interactions energy: -474.511 where: short stacking energy: -232.553 Base-Backbone interact. energy: -1.655 local terms energy: -318.232945 where: bonds (distance) C4'-P energy: -64.251 bonds (distance) P-C4' energy: -85.707 flat angles C4'-P-C4' energy: -82.072 flat angles P-C4'-P energy: -50.178 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: 1, replica: 6 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1864.151086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.151086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.151086 (E_RNA) where: Base-Base interactions energy: -1317.468 where: short stacking energy: -555.474 Base-Backbone interact. energy: -2.154 local terms energy: -544.529071 where: bonds (distance) C4'-P energy: -88.683 bonds (distance) P-C4' energy: -105.838 flat angles C4'-P-C4' energy: -112.718 flat angles P-C4'-P energy: -78.670 tors. eta vs tors. theta energy: -158.621 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: 8 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1772.276833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.276833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.276833 (E_RNA) where: Base-Base interactions energy: -1228.387 where: short stacking energy: -529.790 Base-Backbone interact. energy: -1.545 local terms energy: -542.345455 where: bonds (distance) C4'-P energy: -91.330 bonds (distance) P-C4' energy: -96.888 flat angles C4'-P-C4' energy: -116.824 flat angles P-C4'-P energy: -83.528 tors. eta vs tors. theta energy: -153.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1720.001316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1720.001316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1720.001316 (E_RNA) where: Base-Base interactions energy: -1207.307 where: short stacking energy: -487.033 Base-Backbone interact. energy: -0.213 local terms energy: -512.481349 where: bonds (distance) C4'-P energy: -85.234 bonds (distance) P-C4' energy: -100.159 flat angles C4'-P-C4' energy: -113.300 flat angles P-C4'-P energy: -71.759 tors. eta vs tors. theta energy: -142.029 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: 7 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1609.516713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.516713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.516713 (E_RNA) where: Base-Base interactions energy: -1141.578 where: short stacking energy: -474.594 Base-Backbone interact. energy: -0.831 local terms energy: -467.107824 where: bonds (distance) C4'-P energy: -91.075 bonds (distance) P-C4' energy: -78.764 flat angles C4'-P-C4' energy: -103.987 flat angles P-C4'-P energy: -61.515 tors. eta vs tors. theta energy: -131.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -1494.901146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.901146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.901146 (E_RNA) where: Base-Base interactions energy: -1024.373 where: short stacking energy: -445.323 Base-Backbone interact. energy: -1.720 local terms energy: -468.807745 where: bonds (distance) C4'-P energy: -91.720 bonds (distance) P-C4' energy: -86.798 flat angles C4'-P-C4' energy: -90.435 flat angles P-C4'-P energy: -74.162 tors. eta vs tors. theta energy: -125.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -1386.106767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1386.106767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1386.106767 (E_RNA) where: Base-Base interactions energy: -953.819 where: short stacking energy: -409.635 Base-Backbone interact. energy: -1.570 local terms energy: -430.717340 where: bonds (distance) C4'-P energy: -89.939 bonds (distance) P-C4' energy: -83.479 flat angles C4'-P-C4' energy: -98.518 flat angles P-C4'-P energy: -52.013 tors. eta vs tors. theta energy: -106.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -1331.335347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1331.335347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1331.335347 (E_RNA) where: Base-Base interactions energy: -907.368 where: short stacking energy: -386.204 Base-Backbone interact. energy: -2.011 local terms energy: -421.956230 where: bonds (distance) C4'-P energy: -81.827 bonds (distance) P-C4' energy: -86.689 flat angles C4'-P-C4' energy: -101.724 flat angles P-C4'-P energy: -53.876 tors. eta vs tors. theta energy: -97.840 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: 8, replica: 2 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -1080.879920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.879920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.879920 (E_RNA) where: Base-Base interactions energy: -722.739 where: short stacking energy: -319.049 Base-Backbone interact. energy: 0.264 local terms energy: -358.404964 where: bonds (distance) C4'-P energy: -69.078 bonds (distance) P-C4' energy: -88.368 flat angles C4'-P-C4' energy: -88.427 flat angles P-C4'-P energy: -53.445 tors. eta vs tors. theta energy: -59.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -907.584965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.584965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.584965 (E_RNA) where: Base-Base interactions energy: -578.769 where: short stacking energy: -266.834 Base-Backbone interact. energy: 2.676 local terms energy: -331.491331 where: bonds (distance) C4'-P energy: -81.198 bonds (distance) P-C4' energy: -78.242 flat angles C4'-P-C4' energy: -79.897 flat angles P-C4'-P energy: -55.704 tors. eta vs tors. theta energy: -36.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -756.817023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.817023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.817023 (E_RNA) where: Base-Base interactions energy: -478.562 where: short stacking energy: -231.827 Base-Backbone interact. energy: 0.834 local terms energy: -279.089006 where: bonds (distance) C4'-P energy: -65.799 bonds (distance) P-C4' energy: -78.730 flat angles C4'-P-C4' energy: -84.594 flat angles P-C4'-P energy: -40.291 tors. eta vs tors. theta energy: -9.676 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: 6 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1865.444788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.444788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.444788 (E_RNA) where: Base-Base interactions energy: -1322.275 where: short stacking energy: -581.227 Base-Backbone interact. energy: -0.589 local terms energy: -542.581308 where: bonds (distance) C4'-P energy: -87.413 bonds (distance) P-C4' energy: -100.325 flat angles C4'-P-C4' energy: -107.502 flat angles P-C4'-P energy: -86.402 tors. eta vs tors. theta energy: -160.939 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: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1772.128140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1772.128140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1772.128140 (E_RNA) where: Base-Base interactions energy: -1229.050 where: short stacking energy: -546.060 Base-Backbone interact. energy: -1.124 local terms energy: -541.953739 where: bonds (distance) C4'-P energy: -88.661 bonds (distance) P-C4' energy: -102.506 flat angles C4'-P-C4' energy: -112.622 flat angles P-C4'-P energy: -81.284 tors. eta vs tors. theta energy: -156.880 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: 5 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1731.276985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.276985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.276985 (E_RNA) where: Base-Base interactions energy: -1214.229 where: short stacking energy: -516.248 Base-Backbone interact. energy: -0.898 local terms energy: -516.149911 where: bonds (distance) C4'-P energy: -92.815 bonds (distance) P-C4' energy: -95.555 flat angles C4'-P-C4' energy: -111.751 flat angles P-C4'-P energy: -66.442 tors. eta vs tors. theta energy: -149.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -1628.046588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1628.046588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1628.046588 (E_RNA) where: Base-Base interactions energy: -1135.541 where: short stacking energy: -496.830 Base-Backbone interact. energy: -2.257 local terms energy: -490.248801 where: bonds (distance) C4'-P energy: -90.974 bonds (distance) P-C4' energy: -103.229 flat angles C4'-P-C4' energy: -106.487 flat angles P-C4'-P energy: -54.079 tors. eta vs tors. theta energy: -135.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -1551.714207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.714207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.714207 (E_RNA) where: Base-Base interactions energy: -1067.237 where: short stacking energy: -479.910 Base-Backbone interact. energy: -4.386 local terms energy: -480.090732 where: bonds (distance) C4'-P energy: -91.941 bonds (distance) P-C4' energy: -88.871 flat angles C4'-P-C4' energy: -98.815 flat angles P-C4'-P energy: -70.061 tors. eta vs tors. theta energy: -130.403 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: 9 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -1405.354454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1405.354454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1405.354454 (E_RNA) where: Base-Base interactions energy: -946.262 where: short stacking energy: -412.200 Base-Backbone interact. energy: -0.355 local terms energy: -458.736707 where: bonds (distance) C4'-P energy: -82.974 bonds (distance) P-C4' energy: -111.516 flat angles C4'-P-C4' energy: -93.116 flat angles P-C4'-P energy: -64.199 tors. eta vs tors. theta energy: -106.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -1235.644243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1235.644243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1235.644243 (E_RNA) where: Base-Base interactions energy: -829.244 where: short stacking energy: -346.413 Base-Backbone interact. energy: -2.493 local terms energy: -403.907451 where: bonds (distance) C4'-P energy: -90.699 bonds (distance) P-C4' energy: -89.761 flat angles C4'-P-C4' energy: -79.318 flat angles P-C4'-P energy: -53.600 tors. eta vs tors. theta energy: -90.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -1093.312123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.312123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.312123 (E_RNA) where: Base-Base interactions energy: -768.010 where: short stacking energy: -339.378 Base-Backbone interact. energy: 0.572 local terms energy: -325.874588 where: bonds (distance) C4'-P energy: -70.140 bonds (distance) P-C4' energy: -71.741 flat angles C4'-P-C4' energy: -82.947 flat angles P-C4'-P energy: -42.901 tors. eta vs tors. theta energy: -58.145 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: 4 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -902.274956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.274956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.274956 (E_RNA) where: Base-Base interactions energy: -567.194 where: short stacking energy: -260.017 Base-Backbone interact. energy: 0.395 local terms energy: -335.475789 where: bonds (distance) C4'-P energy: -89.873 bonds (distance) P-C4' energy: -65.313 flat angles C4'-P-C4' energy: -70.903 flat angles P-C4'-P energy: -53.646 tors. eta vs tors. theta energy: -55.741 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: 449 Temperature: 1.350000 Total energy: -780.508687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.508687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.508687 (E_RNA) where: Base-Base interactions energy: -476.240 where: short stacking energy: -226.964 Base-Backbone interact. energy: -1.771 local terms energy: -302.498019 where: bonds (distance) C4'-P energy: -84.374 bonds (distance) P-C4' energy: -81.810 flat angles C4'-P-C4' energy: -71.642 flat angles P-C4'-P energy: -39.351 tors. eta vs tors. theta energy: -25.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1878.789092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.789092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.789092 (E_RNA) where: Base-Base interactions energy: -1319.426 where: short stacking energy: -563.634 Base-Backbone interact. energy: -3.825 local terms energy: -555.538263 where: bonds (distance) C4'-P energy: -91.654 bonds (distance) P-C4' energy: -102.586 flat angles C4'-P-C4' energy: -122.893 flat angles P-C4'-P energy: -76.861 tors. eta vs tors. theta energy: -161.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1773.132161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1773.132161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1773.132161 (E_RNA) where: Base-Base interactions energy: -1246.361 where: short stacking energy: -521.259 Base-Backbone interact. energy: 1.864 local terms energy: -528.634904 where: bonds (distance) C4'-P energy: -89.831 bonds (distance) P-C4' energy: -92.110 flat angles C4'-P-C4' energy: -117.094 flat angles P-C4'-P energy: -82.402 tors. eta vs tors. theta energy: -147.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1735.705315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1735.705315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1735.705315 (E_RNA) where: Base-Base interactions energy: -1214.522 where: short stacking energy: -513.136 Base-Backbone interact. energy: -0.270 local terms energy: -520.913236 where: bonds (distance) C4'-P energy: -89.282 bonds (distance) P-C4' energy: -102.568 flat angles C4'-P-C4' energy: -110.399 flat angles P-C4'-P energy: -76.419 tors. eta vs tors. theta energy: -142.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -1610.980942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1610.980942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1610.980942 (E_RNA) where: Base-Base interactions energy: -1120.111 where: short stacking energy: -456.122 Base-Backbone interact. energy: -0.679 local terms energy: -490.191268 where: bonds (distance) C4'-P energy: -88.741 bonds (distance) P-C4' energy: -85.497 flat angles C4'-P-C4' energy: -103.254 flat angles P-C4'-P energy: -81.559 tors. eta vs tors. theta energy: -131.140 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: 3 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -1559.135008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.135008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.135008 (E_RNA) where: Base-Base interactions energy: -1075.621 where: short stacking energy: -458.192 Base-Backbone interact. energy: -3.223 local terms energy: -480.291324 where: bonds (distance) C4'-P energy: -88.911 bonds (distance) P-C4' energy: -93.418 flat angles C4'-P-C4' energy: -103.604 flat angles P-C4'-P energy: -75.759 tors. eta vs tors. theta energy: -118.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -1390.311541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.311541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.311541 (E_RNA) where: Base-Base interactions energy: -936.561 where: short stacking energy: -403.896 Base-Backbone interact. energy: 0.337 local terms energy: -454.088068 where: bonds (distance) C4'-P energy: -88.347 bonds (distance) P-C4' energy: -88.094 flat angles C4'-P-C4' energy: -100.243 flat angles P-C4'-P energy: -66.972 tors. eta vs tors. theta energy: -110.431 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: 1 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -1273.742599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.742599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.742599 (E_RNA) where: Base-Base interactions energy: -847.877 where: short stacking energy: -383.581 Base-Backbone interact. energy: -0.721 local terms energy: -425.143850 where: bonds (distance) C4'-P energy: -85.193 bonds (distance) P-C4' energy: -71.398 flat angles C4'-P-C4' energy: -105.843 flat angles P-C4'-P energy: -65.554 tors. eta vs tors. theta energy: -97.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -1166.478882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.478882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.478882 (E_RNA) where: Base-Base interactions energy: -794.924 where: short stacking energy: -357.371 Base-Backbone interact. energy: -0.480 local terms energy: -371.075360 where: bonds (distance) C4'-P energy: -76.059 bonds (distance) P-C4' energy: -85.501 flat angles C4'-P-C4' energy: -73.863 flat angles P-C4'-P energy: -63.050 tors. eta vs tors. theta energy: -72.601 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: 4 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -861.878662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.878662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.878662 (E_RNA) where: Base-Base interactions energy: -543.179 where: short stacking energy: -229.949 Base-Backbone interact. energy: -0.548 local terms energy: -318.151777 where: bonds (distance) C4'-P energy: -64.926 bonds (distance) P-C4' energy: -83.080 flat angles C4'-P-C4' energy: -81.035 flat angles P-C4'-P energy: -54.432 tors. eta vs tors. theta energy: -34.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -755.709001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.709001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.709001 (E_RNA) where: Base-Base interactions energy: -453.631 where: short stacking energy: -228.055 Base-Backbone interact. energy: -0.053 local terms energy: -302.025406 where: bonds (distance) C4'-P energy: -80.769 bonds (distance) P-C4' energy: -88.722 flat angles C4'-P-C4' energy: -64.466 flat angles P-C4'-P energy: -32.139 tors. eta vs tors. theta energy: -35.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1912.369658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1912.369658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1912.369658 (E_RNA) where: Base-Base interactions energy: -1347.118 where: short stacking energy: -564.118 Base-Backbone interact. energy: -3.579 local terms energy: -561.672750 where: bonds (distance) C4'-P energy: -95.808 bonds (distance) P-C4' energy: -103.724 flat angles C4'-P-C4' energy: -115.679 flat angles P-C4'-P energy: -79.514 tors. eta vs tors. theta energy: -166.947 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: 8 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1774.235975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.235975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.235975 (E_RNA) where: Base-Base interactions energy: -1231.325 where: short stacking energy: -499.116 Base-Backbone interact. energy: -0.892 local terms energy: -542.018543 where: bonds (distance) C4'-P energy: -106.224 bonds (distance) P-C4' energy: -100.551 flat angles C4'-P-C4' energy: -109.778 flat angles P-C4'-P energy: -80.175 tors. eta vs tors. theta energy: -145.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1721.649181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1721.649181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1721.649181 (E_RNA) where: Base-Base interactions energy: -1215.439 where: short stacking energy: -517.591 Base-Backbone interact. energy: -0.040 local terms energy: -506.169517 where: bonds (distance) C4'-P energy: -95.614 bonds (distance) P-C4' energy: -86.763 flat angles C4'-P-C4' energy: -102.305 flat angles P-C4'-P energy: -68.579 tors. eta vs tors. theta energy: -152.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -1616.409441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1616.409441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1616.409441 (E_RNA) where: Base-Base interactions energy: -1132.505 where: short stacking energy: -463.119 Base-Backbone interact. energy: -1.769 local terms energy: -482.135309 where: bonds (distance) C4'-P energy: -84.767 bonds (distance) P-C4' energy: -95.457 flat angles C4'-P-C4' energy: -106.934 flat angles P-C4'-P energy: -63.021 tors. eta vs tors. theta energy: -131.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -1525.566322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1525.566322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1525.566322 (E_RNA) where: Base-Base interactions energy: -1079.210 where: short stacking energy: -452.255 Base-Backbone interact. energy: -2.252 local terms energy: -444.104066 where: bonds (distance) C4'-P energy: -87.797 bonds (distance) P-C4' energy: -87.522 flat angles C4'-P-C4' energy: -101.103 flat angles P-C4'-P energy: -58.811 tors. eta vs tors. theta energy: -108.872 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: 9 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -1411.270327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1411.270327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1411.270327 (E_RNA) where: Base-Base interactions energy: -965.330 where: short stacking energy: -428.392 Base-Backbone interact. energy: -1.391 local terms energy: -444.549115 where: bonds (distance) C4'-P energy: -81.147 bonds (distance) P-C4' energy: -93.266 flat angles C4'-P-C4' energy: -104.425 flat angles P-C4'-P energy: -61.524 tors. eta vs tors. theta energy: -104.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -1265.826709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1265.826709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1265.826709 (E_RNA) where: Base-Base interactions energy: -855.434 where: short stacking energy: -386.591 Base-Backbone interact. energy: -1.321 local terms energy: -409.071922 where: bonds (distance) C4'-P energy: -80.714 bonds (distance) P-C4' energy: -86.182 flat angles C4'-P-C4' energy: -92.707 flat angles P-C4'-P energy: -53.694 tors. eta vs tors. theta energy: -95.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -1167.160722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.160722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.160722 (E_RNA) where: Base-Base interactions energy: -775.251 where: short stacking energy: -345.196 Base-Backbone interact. energy: 1.369 local terms energy: -393.278951 where: bonds (distance) C4'-P energy: -66.929 bonds (distance) P-C4' energy: -86.071 flat angles C4'-P-C4' energy: -98.933 flat angles P-C4'-P energy: -56.999 tors. eta vs tors. theta energy: -84.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -871.064025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.064025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.064025 (E_RNA) where: Base-Base interactions energy: -534.392 where: short stacking energy: -269.760 Base-Backbone interact. energy: 4.252 local terms energy: -340.924829 where: bonds (distance) C4'-P energy: -84.984 bonds (distance) P-C4' energy: -71.018 flat angles C4'-P-C4' energy: -92.907 flat angles P-C4'-P energy: -44.665 tors. eta vs tors. theta energy: -47.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -823.289191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.289191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.289191 (E_RNA) where: Base-Base interactions energy: -493.120 where: short stacking energy: -249.449 Base-Backbone interact. energy: -2.157 local terms energy: -328.012850 where: bonds (distance) C4'-P energy: -77.581 bonds (distance) P-C4' energy: -82.241 flat angles C4'-P-C4' energy: -89.304 flat angles P-C4'-P energy: -58.938 tors. eta vs tors. theta energy: -19.949 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: 1, replica: 6 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1888.318564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.318564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.318564 (E_RNA) where: Base-Base interactions energy: -1349.539 where: short stacking energy: -564.542 Base-Backbone interact. energy: -1.410 local terms energy: -537.370308 where: bonds (distance) C4'-P energy: -86.846 bonds (distance) P-C4' energy: -95.189 flat angles C4'-P-C4' energy: -114.612 flat angles P-C4'-P energy: -84.714 tors. eta vs tors. theta energy: -156.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1781.407906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.407906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.407906 (E_RNA) where: Base-Base interactions energy: -1242.750 where: short stacking energy: -531.452 Base-Backbone interact. energy: -2.614 local terms energy: -536.044347 where: bonds (distance) C4'-P energy: -92.472 bonds (distance) P-C4' energy: -106.502 flat angles C4'-P-C4' energy: -107.588 flat angles P-C4'-P energy: -74.606 tors. eta vs tors. theta energy: -154.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1750.592405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.592405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.592405 (E_RNA) where: Base-Base interactions energy: -1241.738 where: short stacking energy: -517.703 Base-Backbone interact. energy: -3.347 local terms energy: -505.506989 where: bonds (distance) C4'-P energy: -96.420 bonds (distance) P-C4' energy: -81.171 flat angles C4'-P-C4' energy: -106.339 flat angles P-C4'-P energy: -74.967 tors. eta vs tors. theta energy: -146.610 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: 7 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -1617.684411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1617.684411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1617.684411 (E_RNA) where: Base-Base interactions energy: -1126.323 where: short stacking energy: -479.665 Base-Backbone interact. energy: -1.895 local terms energy: -489.465855 where: bonds (distance) C4'-P energy: -96.781 bonds (distance) P-C4' energy: -84.118 flat angles C4'-P-C4' energy: -102.995 flat angles P-C4'-P energy: -65.852 tors. eta vs tors. theta energy: -139.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -1536.418341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.418341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.418341 (E_RNA) where: Base-Base interactions energy: -1072.616 where: short stacking energy: -443.775 Base-Backbone interact. energy: -0.162 local terms energy: -463.641257 where: bonds (distance) C4'-P energy: -86.516 bonds (distance) P-C4' energy: -80.630 flat angles C4'-P-C4' energy: -103.801 flat angles P-C4'-P energy: -64.705 tors. eta vs tors. theta energy: -127.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -1384.576843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.576843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.576843 (E_RNA) where: Base-Base interactions energy: -970.175 where: short stacking energy: -428.130 Base-Backbone interact. energy: 0.555 local terms energy: -414.956775 where: bonds (distance) C4'-P energy: -75.430 bonds (distance) P-C4' energy: -78.929 flat angles C4'-P-C4' energy: -85.866 flat angles P-C4'-P energy: -58.027 tors. eta vs tors. theta energy: -116.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -1244.938639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.938639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.938639 (E_RNA) where: Base-Base interactions energy: -855.306 where: short stacking energy: -394.004 Base-Backbone interact. energy: -1.564 local terms energy: -388.068788 where: bonds (distance) C4'-P energy: -54.364 bonds (distance) P-C4' energy: -87.944 flat angles C4'-P-C4' energy: -87.074 flat angles P-C4'-P energy: -62.043 tors. eta vs tors. theta energy: -96.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -1168.165846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.165846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.165846 (E_RNA) where: Base-Base interactions energy: -795.275 where: short stacking energy: -319.133 Base-Backbone interact. energy: -1.997 local terms energy: -370.894091 where: bonds (distance) C4'-P energy: -77.970 bonds (distance) P-C4' energy: -90.903 flat angles C4'-P-C4' energy: -93.428 flat angles P-C4'-P energy: -48.657 tors. eta vs tors. theta energy: -59.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -780.564766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.564766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.564766 (E_RNA) where: Base-Base interactions energy: -476.762 where: short stacking energy: -213.278 Base-Backbone interact. energy: -1.227 local terms energy: -302.576208 where: bonds (distance) C4'-P energy: -76.655 bonds (distance) P-C4' energy: -73.400 flat angles C4'-P-C4' energy: -81.968 flat angles P-C4'-P energy: -46.869 tors. eta vs tors. theta energy: -23.685 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: 452 Temperature: 1.350000 Total energy: -768.981167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.981167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.981167 (E_RNA) where: Base-Base interactions energy: -476.271 where: short stacking energy: -245.928 Base-Backbone interact. energy: 2.754 local terms energy: -295.464135 where: bonds (distance) C4'-P energy: -74.219 bonds (distance) P-C4' energy: -76.038 flat angles C4'-P-C4' energy: -68.573 flat angles P-C4'-P energy: -39.092 tors. eta vs tors. theta energy: -37.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1881.075481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.075481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.075481 (E_RNA) where: Base-Base interactions energy: -1360.623 where: short stacking energy: -572.802 Base-Backbone interact. energy: 4.388 local terms energy: -524.840336 where: bonds (distance) C4'-P energy: -93.542 bonds (distance) P-C4' energy: -85.409 flat angles C4'-P-C4' energy: -112.889 flat angles P-C4'-P energy: -78.903 tors. eta vs tors. theta energy: -154.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1798.605704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1798.605704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1798.605704 (E_RNA) where: Base-Base interactions energy: -1249.318 where: short stacking energy: -529.752 Base-Backbone interact. energy: -2.452 local terms energy: -546.836230 where: bonds (distance) C4'-P energy: -98.985 bonds (distance) P-C4' energy: -102.230 flat angles C4'-P-C4' energy: -114.582 flat angles P-C4'-P energy: -79.365 tors. eta vs tors. theta energy: -151.674 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: 5 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1737.183912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.183912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.183912 (E_RNA) where: Base-Base interactions energy: -1216.841 where: short stacking energy: -506.848 Base-Backbone interact. energy: -2.205 local terms energy: -518.138143 where: bonds (distance) C4'-P energy: -98.081 bonds (distance) P-C4' energy: -88.326 flat angles C4'-P-C4' energy: -104.284 flat angles P-C4'-P energy: -90.029 tors. eta vs tors. theta energy: -137.419 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: 7 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -1604.979909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.979909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.979909 (E_RNA) where: Base-Base interactions energy: -1134.107 where: short stacking energy: -475.922 Base-Backbone interact. energy: -0.653 local terms energy: -470.219797 where: bonds (distance) C4'-P energy: -87.908 bonds (distance) P-C4' energy: -97.110 flat angles C4'-P-C4' energy: -95.682 flat angles P-C4'-P energy: -66.667 tors. eta vs tors. theta energy: -122.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -1507.193277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1507.193277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1507.193277 (E_RNA) where: Base-Base interactions energy: -1047.317 where: short stacking energy: -416.043 Base-Backbone interact. energy: -2.093 local terms energy: -457.782825 where: bonds (distance) C4'-P energy: -92.400 bonds (distance) P-C4' energy: -97.209 flat angles C4'-P-C4' energy: -81.624 flat angles P-C4'-P energy: -69.749 tors. eta vs tors. theta energy: -116.800 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: 9 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -1416.669092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1416.669092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1416.669092 (E_RNA) where: Base-Base interactions energy: -944.021 where: short stacking energy: -421.022 Base-Backbone interact. energy: 0.076 local terms energy: -472.724809 where: bonds (distance) C4'-P energy: -90.695 bonds (distance) P-C4' energy: -78.399 flat angles C4'-P-C4' energy: -99.843 flat angles P-C4'-P energy: -74.079 tors. eta vs tors. theta energy: -129.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -1285.405044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.405044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.405044 (E_RNA) where: Base-Base interactions energy: -861.167 where: short stacking energy: -395.903 Base-Backbone interact. energy: -0.481 local terms energy: -423.756283 where: bonds (distance) C4'-P energy: -86.465 bonds (distance) P-C4' energy: -92.926 flat angles C4'-P-C4' energy: -91.688 flat angles P-C4'-P energy: -52.429 tors. eta vs tors. theta energy: -100.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -1150.409111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.409111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.409111 (E_RNA) where: Base-Base interactions energy: -771.318 where: short stacking energy: -332.393 Base-Backbone interact. energy: -2.094 local terms energy: -376.997530 where: bonds (distance) C4'-P energy: -77.202 bonds (distance) P-C4' energy: -90.135 flat angles C4'-P-C4' energy: -88.430 flat angles P-C4'-P energy: -45.706 tors. eta vs tors. theta energy: -75.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -790.155787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.155787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.155787 (E_RNA) where: Base-Base interactions energy: -476.833 where: short stacking energy: -244.924 Base-Backbone interact. energy: 2.675 local terms energy: -315.998330 where: bonds (distance) C4'-P energy: -89.067 bonds (distance) P-C4' energy: -87.430 flat angles C4'-P-C4' energy: -62.046 flat angles P-C4'-P energy: -38.453 tors. eta vs tors. theta energy: -39.002 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: 10 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -765.142075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.142075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.142075 (E_RNA) where: Base-Base interactions energy: -467.210 where: short stacking energy: -221.905 Base-Backbone interact. energy: -0.025 local terms energy: -297.907238 where: bonds (distance) C4'-P energy: -74.753 bonds (distance) P-C4' energy: -78.844 flat angles C4'-P-C4' energy: -83.170 flat angles P-C4'-P energy: -31.755 tors. eta vs tors. theta energy: -29.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1861.605471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.605471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.605471 (E_RNA) where: Base-Base interactions energy: -1316.527 where: short stacking energy: -549.723 Base-Backbone interact. energy: -0.401 local terms energy: -544.678198 where: bonds (distance) C4'-P energy: -91.939 bonds (distance) P-C4' energy: -99.372 flat angles C4'-P-C4' energy: -103.822 flat angles P-C4'-P energy: -84.970 tors. eta vs tors. theta energy: -164.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1803.956814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1803.956814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1803.956814 (E_RNA) where: Base-Base interactions energy: -1260.013 where: short stacking energy: -535.172 Base-Backbone interact. energy: -2.107 local terms energy: -541.837450 where: bonds (distance) C4'-P energy: -93.542 bonds (distance) P-C4' energy: -101.276 flat angles C4'-P-C4' energy: -110.747 flat angles P-C4'-P energy: -79.457 tors. eta vs tors. theta energy: -156.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1725.546999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.546999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.546999 (E_RNA) where: Base-Base interactions energy: -1221.948 where: short stacking energy: -511.652 Base-Backbone interact. energy: -1.857 local terms energy: -501.742883 where: bonds (distance) C4'-P energy: -86.719 bonds (distance) P-C4' energy: -94.456 flat angles C4'-P-C4' energy: -107.061 flat angles P-C4'-P energy: -69.777 tors. eta vs tors. theta energy: -143.729 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: 7 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -1613.530547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.530547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.530547 (E_RNA) where: Base-Base interactions energy: -1136.052 where: short stacking energy: -483.340 Base-Backbone interact. energy: -1.515 local terms energy: -475.963502 where: bonds (distance) C4'-P energy: -86.326 bonds (distance) P-C4' energy: -87.847 flat angles C4'-P-C4' energy: -105.582 flat angles P-C4'-P energy: -54.876 tors. eta vs tors. theta energy: -141.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -1494.552779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1494.552779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1494.552779 (E_RNA) where: Base-Base interactions energy: -1039.856 where: short stacking energy: -435.629 Base-Backbone interact. energy: -2.749 local terms energy: -451.947028 where: bonds (distance) C4'-P energy: -87.253 bonds (distance) P-C4' energy: -89.787 flat angles C4'-P-C4' energy: -105.108 flat angles P-C4'-P energy: -47.341 tors. eta vs tors. theta energy: -122.457 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: 9 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -1384.628398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.628398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.628398 (E_RNA) where: Base-Base interactions energy: -917.198 where: short stacking energy: -428.202 Base-Backbone interact. energy: 6.891 local terms energy: -474.321331 where: bonds (distance) C4'-P energy: -81.282 bonds (distance) P-C4' energy: -98.583 flat angles C4'-P-C4' energy: -105.175 flat angles P-C4'-P energy: -66.265 tors. eta vs tors. theta energy: -123.016 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: 1 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -1262.217170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1262.217170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1262.217170 (E_RNA) where: Base-Base interactions energy: -849.135 where: short stacking energy: -387.445 Base-Backbone interact. energy: 0.189 local terms energy: -413.271749 where: bonds (distance) C4'-P energy: -68.500 bonds (distance) P-C4' energy: -93.818 flat angles C4'-P-C4' energy: -94.051 flat angles P-C4'-P energy: -57.228 tors. eta vs tors. theta energy: -99.675 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: 2 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -1164.313797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.313797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.313797 (E_RNA) where: Base-Base interactions energy: -781.505 where: short stacking energy: -316.185 Base-Backbone interact. energy: -2.467 local terms energy: -380.341408 where: bonds (distance) C4'-P energy: -82.130 bonds (distance) P-C4' energy: -92.087 flat angles C4'-P-C4' energy: -81.289 flat angles P-C4'-P energy: -53.665 tors. eta vs tors. theta energy: -71.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -839.925157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.925157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.925157 (E_RNA) where: Base-Base interactions energy: -511.596 where: short stacking energy: -230.605 Base-Backbone interact. energy: -1.876 local terms energy: -326.453419 where: bonds (distance) C4'-P energy: -80.036 bonds (distance) P-C4' energy: -87.446 flat angles C4'-P-C4' energy: -82.684 flat angles P-C4'-P energy: -53.460 tors. eta vs tors. theta energy: -22.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -743.562901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.562901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.562901 (E_RNA) where: Base-Base interactions energy: -462.990 where: short stacking energy: -226.419 Base-Backbone interact. energy: 4.979 local terms energy: -285.552650 where: bonds (distance) C4'-P energy: -81.843 bonds (distance) P-C4' energy: -69.562 flat angles C4'-P-C4' energy: -52.501 flat angles P-C4'-P energy: -50.866 tors. eta vs tors. theta energy: -30.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1875.436887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.436887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.436887 (E_RNA) where: Base-Base interactions energy: -1339.748 where: short stacking energy: -571.659 Base-Backbone interact. energy: 2.542 local terms energy: -538.230435 where: bonds (distance) C4'-P energy: -84.149 bonds (distance) P-C4' energy: -102.806 flat angles C4'-P-C4' energy: -113.708 flat angles P-C4'-P energy: -81.515 tors. eta vs tors. theta energy: -156.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1807.382457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1807.382457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1807.382457 (E_RNA) where: Base-Base interactions energy: -1266.842 where: short stacking energy: -555.712 Base-Backbone interact. energy: -2.642 local terms energy: -537.897872 where: bonds (distance) C4'-P energy: -98.898 bonds (distance) P-C4' energy: -97.646 flat angles C4'-P-C4' energy: -108.937 flat angles P-C4'-P energy: -77.427 tors. eta vs tors. theta energy: -154.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1717.425943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.425943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.425943 (E_RNA) where: Base-Base interactions energy: -1239.805 where: short stacking energy: -494.643 Base-Backbone interact. energy: -0.436 local terms energy: -477.184620 where: bonds (distance) C4'-P energy: -86.938 bonds (distance) P-C4' energy: -99.106 flat angles C4'-P-C4' energy: -103.679 flat angles P-C4'-P energy: -62.394 tors. eta vs tors. theta energy: -125.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -1633.581935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.581935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.581935 (E_RNA) where: Base-Base interactions energy: -1142.787 where: short stacking energy: -498.978 Base-Backbone interact. energy: -3.661 local terms energy: -487.133033 where: bonds (distance) C4'-P energy: -80.137 bonds (distance) P-C4' energy: -95.308 flat angles C4'-P-C4' energy: -108.204 flat angles P-C4'-P energy: -62.605 tors. eta vs tors. theta energy: -140.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -1534.018007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.018007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.018007 (E_RNA) where: Base-Base interactions energy: -1062.693 where: short stacking energy: -467.328 Base-Backbone interact. energy: -2.559 local terms energy: -468.765892 where: bonds (distance) C4'-P energy: -68.790 bonds (distance) P-C4' energy: -84.814 flat angles C4'-P-C4' energy: -107.199 flat angles P-C4'-P energy: -74.371 tors. eta vs tors. theta energy: -133.592 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: 455 Temperature: 1.150000 Total energy: -1360.493590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1360.493590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1360.493590 (E_RNA) where: Base-Base interactions energy: -942.649 where: short stacking energy: -434.392 Base-Backbone interact. energy: -1.315 local terms energy: -416.529341 where: bonds (distance) C4'-P energy: -78.556 bonds (distance) P-C4' energy: -89.728 flat angles C4'-P-C4' energy: -83.232 flat angles P-C4'-P energy: -56.467 tors. eta vs tors. theta energy: -108.546 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: 1 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -1316.114383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1316.114383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1316.114383 (E_RNA) where: Base-Base interactions energy: -886.220 where: short stacking energy: -408.391 Base-Backbone interact. energy: 2.791 local terms energy: -432.685442 where: bonds (distance) C4'-P energy: -79.889 bonds (distance) P-C4' energy: -82.970 flat angles C4'-P-C4' energy: -93.144 flat angles P-C4'-P energy: -59.152 tors. eta vs tors. theta energy: -117.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -1122.838695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.838695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.838695 (E_RNA) where: Base-Base interactions energy: -764.181 where: short stacking energy: -316.775 Base-Backbone interact. energy: -1.425 local terms energy: -357.233128 where: bonds (distance) C4'-P energy: -78.730 bonds (distance) P-C4' energy: -89.499 flat angles C4'-P-C4' energy: -88.811 flat angles P-C4'-P energy: -41.852 tors. eta vs tors. theta energy: -58.340 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: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -827.686880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.686880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.686880 (E_RNA) where: Base-Base interactions energy: -505.025 where: short stacking energy: -248.300 Base-Backbone interact. energy: -1.750 local terms energy: -320.911826 where: bonds (distance) C4'-P energy: -74.504 bonds (distance) P-C4' energy: -82.876 flat angles C4'-P-C4' energy: -71.769 flat angles P-C4'-P energy: -54.172 tors. eta vs tors. theta energy: -37.591 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: 4 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -788.243381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.243381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.243381 (E_RNA) where: Base-Base interactions energy: -513.156 where: short stacking energy: -238.031 Base-Backbone interact. energy: 2.350 local terms energy: -277.437230 where: bonds (distance) C4'-P energy: -72.126 bonds (distance) P-C4' energy: -79.083 flat angles C4'-P-C4' energy: -70.028 flat angles P-C4'-P energy: -33.550 tors. eta vs tors. theta energy: -22.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1877.725820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1877.725820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1877.725820 (E_RNA) where: Base-Base interactions energy: -1341.263 where: short stacking energy: -566.079 Base-Backbone interact. energy: -2.178 local terms energy: -534.284602 where: bonds (distance) C4'-P energy: -93.906 bonds (distance) P-C4' energy: -99.745 flat angles C4'-P-C4' energy: -108.719 flat angles P-C4'-P energy: -73.801 tors. eta vs tors. theta energy: -158.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1792.117599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1792.117599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1792.117599 (E_RNA) where: Base-Base interactions energy: -1256.612 where: short stacking energy: -533.244 Base-Backbone interact. energy: -4.439 local terms energy: -531.066160 where: bonds (distance) C4'-P energy: -90.747 bonds (distance) P-C4' energy: -100.056 flat angles C4'-P-C4' energy: -112.076 flat angles P-C4'-P energy: -74.658 tors. eta vs tors. theta energy: -153.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1730.161950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.161950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.161950 (E_RNA) where: Base-Base interactions energy: -1234.065 where: short stacking energy: -513.152 Base-Backbone interact. energy: -1.136 local terms energy: -494.961680 where: bonds (distance) C4'-P energy: -93.147 bonds (distance) P-C4' energy: -92.270 flat angles C4'-P-C4' energy: -113.866 flat angles P-C4'-P energy: -60.439 tors. eta vs tors. theta energy: -135.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -1673.297858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1673.297858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1673.297858 (E_RNA) where: Base-Base interactions energy: -1185.509 where: short stacking energy: -507.382 Base-Backbone interact. energy: 1.526 local terms energy: -489.314474 where: bonds (distance) C4'-P energy: -97.369 bonds (distance) P-C4' energy: -78.981 flat angles C4'-P-C4' energy: -104.016 flat angles P-C4'-P energy: -72.763 tors. eta vs tors. theta energy: -136.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -1478.792933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1478.792933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1478.792933 (E_RNA) where: Base-Base interactions energy: -1027.986 where: short stacking energy: -444.868 Base-Backbone interact. energy: -0.721 local terms energy: -450.086436 where: bonds (distance) C4'-P energy: -85.489 bonds (distance) P-C4' energy: -90.481 flat angles C4'-P-C4' energy: -93.813 flat angles P-C4'-P energy: -66.452 tors. eta vs tors. theta energy: -113.852 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: 9 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -1376.675870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.675870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.675870 (E_RNA) where: Base-Base interactions energy: -948.761 where: short stacking energy: -413.622 Base-Backbone interact. energy: 0.019 local terms energy: -427.934299 where: bonds (distance) C4'-P energy: -69.439 bonds (distance) P-C4' energy: -81.996 flat angles C4'-P-C4' energy: -110.928 flat angles P-C4'-P energy: -49.532 tors. eta vs tors. theta energy: -116.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -1236.991369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1236.991369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1236.991369 (E_RNA) where: Base-Base interactions energy: -861.490 where: short stacking energy: -382.500 Base-Backbone interact. energy: -0.477 local terms energy: -375.024496 where: bonds (distance) C4'-P energy: -80.705 bonds (distance) P-C4' energy: -74.609 flat angles C4'-P-C4' energy: -86.409 flat angles P-C4'-P energy: -48.070 tors. eta vs tors. theta energy: -85.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -1110.598901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.598901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.598901 (E_RNA) where: Base-Base interactions energy: -736.328 where: short stacking energy: -323.065 Base-Backbone interact. energy: -0.709 local terms energy: -373.561393 where: bonds (distance) C4'-P energy: -69.317 bonds (distance) P-C4' energy: -81.978 flat angles C4'-P-C4' energy: -101.318 flat angles P-C4'-P energy: -55.713 tors. eta vs tors. theta energy: -65.236 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: 10 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -858.150511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.150511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.150511 (E_RNA) where: Base-Base interactions energy: -564.320 where: short stacking energy: -237.538 Base-Backbone interact. energy: 0.669 local terms energy: -294.499128 where: bonds (distance) C4'-P energy: -73.518 bonds (distance) P-C4' energy: -81.905 flat angles C4'-P-C4' energy: -67.136 flat angles P-C4'-P energy: -45.701 tors. eta vs tors. theta energy: -26.239 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: 4 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -739.950408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.950408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.950408 (E_RNA) where: Base-Base interactions energy: -446.045 where: short stacking energy: -219.271 Base-Backbone interact. energy: -0.143 local terms energy: -293.761737 where: bonds (distance) C4'-P energy: -54.449 bonds (distance) P-C4' energy: -91.021 flat angles C4'-P-C4' energy: -65.766 flat angles P-C4'-P energy: -60.460 tors. eta vs tors. theta energy: -22.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1867.746190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.746190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.746190 (E_RNA) where: Base-Base interactions energy: -1321.901 where: short stacking energy: -550.521 Base-Backbone interact. energy: -2.053 local terms energy: -543.792433 where: bonds (distance) C4'-P energy: -105.105 bonds (distance) P-C4' energy: -96.845 flat angles C4'-P-C4' energy: -109.327 flat angles P-C4'-P energy: -72.436 tors. eta vs tors. theta energy: -160.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1777.292621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.292621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.292621 (E_RNA) where: Base-Base interactions energy: -1252.786 where: short stacking energy: -529.358 Base-Backbone interact. energy: -3.197 local terms energy: -521.309713 where: bonds (distance) C4'-P energy: -79.824 bonds (distance) P-C4' energy: -94.966 flat angles C4'-P-C4' energy: -110.283 flat angles P-C4'-P energy: -83.307 tors. eta vs tors. theta energy: -152.930 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: 5 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1740.973725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.973725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.973725 (E_RNA) where: Base-Base interactions energy: -1231.748 where: short stacking energy: -543.884 Base-Backbone interact. energy: -3.978 local terms energy: -505.246786 where: bonds (distance) C4'-P energy: -84.893 bonds (distance) P-C4' energy: -83.192 flat angles C4'-P-C4' energy: -115.370 flat angles P-C4'-P energy: -72.662 tors. eta vs tors. theta energy: -149.130 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: 7 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -1703.202148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1703.202148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1703.202148 (E_RNA) where: Base-Base interactions energy: -1209.030 where: short stacking energy: -506.035 Base-Backbone interact. energy: -3.787 local terms energy: -490.385385 where: bonds (distance) C4'-P energy: -92.309 bonds (distance) P-C4' energy: -84.589 flat angles C4'-P-C4' energy: -109.918 flat angles P-C4'-P energy: -59.071 tors. eta vs tors. theta energy: -144.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -1522.190947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.190947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.190947 (E_RNA) where: Base-Base interactions energy: -1051.109 where: short stacking energy: -467.446 Base-Backbone interact. energy: -4.191 local terms energy: -466.891184 where: bonds (distance) C4'-P energy: -90.826 bonds (distance) P-C4' energy: -83.504 flat angles C4'-P-C4' energy: -107.477 flat angles P-C4'-P energy: -64.837 tors. eta vs tors. theta energy: -120.246 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: 9 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -1357.496811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1357.496811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1357.496811 (E_RNA) where: Base-Base interactions energy: -943.498 where: short stacking energy: -390.940 Base-Backbone interact. energy: 3.586 local terms energy: -417.584120 where: bonds (distance) C4'-P energy: -89.310 bonds (distance) P-C4' energy: -72.148 flat angles C4'-P-C4' energy: -94.410 flat angles P-C4'-P energy: -63.462 tors. eta vs tors. theta energy: -98.254 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: 1 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -1293.428768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.428768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.428768 (E_RNA) where: Base-Base interactions energy: -897.902 where: short stacking energy: -420.603 Base-Backbone interact. energy: -0.607 local terms energy: -394.920132 where: bonds (distance) C4'-P energy: -76.257 bonds (distance) P-C4' energy: -85.004 flat angles C4'-P-C4' energy: -89.676 flat angles P-C4'-P energy: -38.544 tors. eta vs tors. theta energy: -105.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -1161.059735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.059735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.059735 (E_RNA) where: Base-Base interactions energy: -787.704 where: short stacking energy: -357.681 Base-Backbone interact. energy: 0.638 local terms energy: -373.993705 where: bonds (distance) C4'-P energy: -76.510 bonds (distance) P-C4' energy: -80.886 flat angles C4'-P-C4' energy: -85.881 flat angles P-C4'-P energy: -50.366 tors. eta vs tors. theta energy: -80.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -956.501427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.501427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.501427 (E_RNA) where: Base-Base interactions energy: -598.497 where: short stacking energy: -277.783 Base-Backbone interact. energy: 2.194 local terms energy: -360.197795 where: bonds (distance) C4'-P energy: -84.284 bonds (distance) P-C4' energy: -86.253 flat angles C4'-P-C4' energy: -88.838 flat angles P-C4'-P energy: -53.469 tors. eta vs tors. theta energy: -47.354 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: 10, replica: 4 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -744.685524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.685524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.685524 (E_RNA) where: Base-Base interactions energy: -437.996 where: short stacking energy: -216.570 Base-Backbone interact. energy: -0.329 local terms energy: -306.360407 where: bonds (distance) C4'-P energy: -69.658 bonds (distance) P-C4' energy: -93.531 flat angles C4'-P-C4' energy: -76.666 flat angles P-C4'-P energy: -45.957 tors. eta vs tors. theta energy: -20.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1871.293899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1871.293899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1871.293899 (E_RNA) where: Base-Base interactions energy: -1319.614 where: short stacking energy: -530.157 Base-Backbone interact. energy: -2.247 local terms energy: -549.432838 where: bonds (distance) C4'-P energy: -96.485 bonds (distance) P-C4' energy: -105.151 flat angles C4'-P-C4' energy: -109.183 flat angles P-C4'-P energy: -72.698 tors. eta vs tors. theta energy: -165.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1797.635510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.635510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.635510 (E_RNA) where: Base-Base interactions energy: -1252.954 where: short stacking energy: -540.780 Base-Backbone interact. energy: -1.854 local terms energy: -542.827452 where: bonds (distance) C4'-P energy: -88.678 bonds (distance) P-C4' energy: -99.378 flat angles C4'-P-C4' energy: -115.562 flat angles P-C4'-P energy: -82.630 tors. eta vs tors. theta energy: -156.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1746.314244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.314244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.314244 (E_RNA) where: Base-Base interactions energy: -1218.563 where: short stacking energy: -525.451 Base-Backbone interact. energy: 0.027 local terms energy: -527.777459 where: bonds (distance) C4'-P energy: -92.151 bonds (distance) P-C4' energy: -93.411 flat angles C4'-P-C4' energy: -111.100 flat angles P-C4'-P energy: -80.390 tors. eta vs tors. theta energy: -150.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -1633.115515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.115515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.115515 (E_RNA) where: Base-Base interactions energy: -1153.626 where: short stacking energy: -480.987 Base-Backbone interact. energy: 0.412 local terms energy: -479.901095 where: bonds (distance) C4'-P energy: -89.224 bonds (distance) P-C4' energy: -91.831 flat angles C4'-P-C4' energy: -104.623 flat angles P-C4'-P energy: -67.792 tors. eta vs tors. theta energy: -126.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -1504.219973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1504.219973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1504.219973 (E_RNA) where: Base-Base interactions energy: -1035.892 where: short stacking energy: -437.716 Base-Backbone interact. energy: -2.358 local terms energy: -465.970268 where: bonds (distance) C4'-P energy: -94.492 bonds (distance) P-C4' energy: -86.727 flat angles C4'-P-C4' energy: -105.935 flat angles P-C4'-P energy: -66.026 tors. eta vs tors. theta energy: -112.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -1310.836894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1310.836894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1310.836894 (E_RNA) where: Base-Base interactions energy: -896.683 where: short stacking energy: -396.145 Base-Backbone interact. energy: -0.588 local terms energy: -413.565918 where: bonds (distance) C4'-P energy: -82.035 bonds (distance) P-C4' energy: -96.575 flat angles C4'-P-C4' energy: -83.199 flat angles P-C4'-P energy: -53.029 tors. eta vs tors. theta energy: -98.728 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: 1 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -1320.517882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.517882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.517882 (E_RNA) where: Base-Base interactions energy: -875.848 where: short stacking energy: -417.542 Base-Backbone interact. energy: -1.951 local terms energy: -442.718405 where: bonds (distance) C4'-P energy: -87.858 bonds (distance) P-C4' energy: -81.946 flat angles C4'-P-C4' energy: -90.695 flat angles P-C4'-P energy: -68.195 tors. eta vs tors. theta energy: -114.025 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: 2 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -1172.414227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.414227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.414227 (E_RNA) where: Base-Base interactions energy: -796.845 where: short stacking energy: -328.541 Base-Backbone interact. energy: -0.059 local terms energy: -375.510685 where: bonds (distance) C4'-P energy: -81.896 bonds (distance) P-C4' energy: -99.026 flat angles C4'-P-C4' energy: -82.797 flat angles P-C4'-P energy: -41.302 tors. eta vs tors. theta energy: -70.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -934.045257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.045257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.045257 (E_RNA) where: Base-Base interactions energy: -609.333 where: short stacking energy: -289.083 Base-Backbone interact. energy: 1.032 local terms energy: -325.743906 where: bonds (distance) C4'-P energy: -64.505 bonds (distance) P-C4' energy: -72.350 flat angles C4'-P-C4' energy: -85.536 flat angles P-C4'-P energy: -57.618 tors. eta vs tors. theta energy: -45.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -757.759023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.759023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.759023 (E_RNA) where: Base-Base interactions energy: -468.074 where: short stacking energy: -225.353 Base-Backbone interact. energy: 2.333 local terms energy: -292.017498 where: bonds (distance) C4'-P energy: -83.661 bonds (distance) P-C4' energy: -66.339 flat angles C4'-P-C4' energy: -71.651 flat angles P-C4'-P energy: -52.491 tors. eta vs tors. theta energy: -17.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1887.030318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1887.030318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1887.030318 (E_RNA) where: Base-Base interactions energy: -1331.165 where: short stacking energy: -552.784 Base-Backbone interact. energy: -2.225 local terms energy: -553.640381 where: bonds (distance) C4'-P energy: -92.639 bonds (distance) P-C4' energy: -100.730 flat angles C4'-P-C4' energy: -119.172 flat angles P-C4'-P energy: -81.333 tors. eta vs tors. theta energy: -159.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1779.852481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.852481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.852481 (E_RNA) where: Base-Base interactions energy: -1263.594 where: short stacking energy: -524.349 Base-Backbone interact. energy: -0.714 local terms energy: -515.544803 where: bonds (distance) C4'-P energy: -89.166 bonds (distance) P-C4' energy: -101.654 flat angles C4'-P-C4' energy: -108.270 flat angles P-C4'-P energy: -72.062 tors. eta vs tors. theta energy: -144.394 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: 8 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1727.142696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1727.142696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1727.142696 (E_RNA) where: Base-Base interactions energy: -1187.278 where: short stacking energy: -520.809 Base-Backbone interact. energy: -2.610 local terms energy: -537.255118 where: bonds (distance) C4'-P energy: -98.931 bonds (distance) P-C4' energy: -96.184 flat angles C4'-P-C4' energy: -110.572 flat angles P-C4'-P energy: -71.435 tors. eta vs tors. theta energy: -160.133 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: 7 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -1621.834845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1621.834845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1621.834845 (E_RNA) where: Base-Base interactions energy: -1148.864 where: short stacking energy: -468.429 Base-Backbone interact. energy: -0.818 local terms energy: -472.153532 where: bonds (distance) C4'-P energy: -84.860 bonds (distance) P-C4' energy: -87.752 flat angles C4'-P-C4' energy: -104.256 flat angles P-C4'-P energy: -63.464 tors. eta vs tors. theta energy: -131.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -1543.612925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1543.612925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1543.612925 (E_RNA) where: Base-Base interactions energy: -1060.656 where: short stacking energy: -456.395 Base-Backbone interact. energy: -2.503 local terms energy: -480.453559 where: bonds (distance) C4'-P energy: -84.076 bonds (distance) P-C4' energy: -94.771 flat angles C4'-P-C4' energy: -112.802 flat angles P-C4'-P energy: -62.669 tors. eta vs tors. theta energy: -126.136 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: 9 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -1345.427498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.427498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.427498 (E_RNA) where: Base-Base interactions energy: -921.591 where: short stacking energy: -413.626 Base-Backbone interact. energy: -1.899 local terms energy: -421.936802 where: bonds (distance) C4'-P energy: -64.233 bonds (distance) P-C4' energy: -98.240 flat angles C4'-P-C4' energy: -101.074 flat angles P-C4'-P energy: -52.483 tors. eta vs tors. theta energy: -105.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -1276.312852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.312852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.312852 (E_RNA) where: Base-Base interactions energy: -862.636 where: short stacking energy: -396.197 Base-Backbone interact. energy: -1.370 local terms energy: -412.307170 where: bonds (distance) C4'-P energy: -78.112 bonds (distance) P-C4' energy: -77.603 flat angles C4'-P-C4' energy: -79.376 flat angles P-C4'-P energy: -63.470 tors. eta vs tors. theta energy: -113.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -1141.259124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.259124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.259124 (E_RNA) where: Base-Base interactions energy: -781.978 where: short stacking energy: -339.214 Base-Backbone interact. energy: 1.330 local terms energy: -360.611740 where: bonds (distance) C4'-P energy: -77.630 bonds (distance) P-C4' energy: -80.425 flat angles C4'-P-C4' energy: -79.136 flat angles P-C4'-P energy: -48.594 tors. eta vs tors. theta energy: -74.826 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: 10 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -932.706131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.706131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.706131 (E_RNA) where: Base-Base interactions energy: -591.382 where: short stacking energy: -277.964 Base-Backbone interact. energy: -0.324 local terms energy: -341.000456 where: bonds (distance) C4'-P energy: -80.528 bonds (distance) P-C4' energy: -88.206 flat angles C4'-P-C4' energy: -75.551 flat angles P-C4'-P energy: -43.658 tors. eta vs tors. theta energy: -53.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -771.989078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.989078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.989078 (E_RNA) where: Base-Base interactions energy: -459.445 where: short stacking energy: -209.699 Base-Backbone interact. energy: 2.148 local terms energy: -314.692375 where: bonds (distance) C4'-P energy: -78.167 bonds (distance) P-C4' energy: -92.875 flat angles C4'-P-C4' energy: -75.596 flat angles P-C4'-P energy: -45.930 tors. eta vs tors. theta energy: -22.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1866.918719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1866.918719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1866.918719 (E_RNA) where: Base-Base interactions energy: -1306.080 where: short stacking energy: -536.337 Base-Backbone interact. energy: -2.965 local terms energy: -557.873224 where: bonds (distance) C4'-P energy: -100.218 bonds (distance) P-C4' energy: -104.875 flat angles C4'-P-C4' energy: -115.273 flat angles P-C4'-P energy: -79.178 tors. eta vs tors. theta energy: -158.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1788.691634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.691634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.691634 (E_RNA) where: Base-Base interactions energy: -1271.649 where: short stacking energy: -533.018 Base-Backbone interact. energy: -1.729 local terms energy: -515.313010 where: bonds (distance) C4'-P energy: -98.142 bonds (distance) P-C4' energy: -89.082 flat angles C4'-P-C4' energy: -114.582 flat angles P-C4'-P energy: -67.179 tors. eta vs tors. theta energy: -146.328 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: 8 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1731.076015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1731.076015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1731.076015 (E_RNA) where: Base-Base interactions energy: -1209.296 where: short stacking energy: -514.508 Base-Backbone interact. energy: -0.710 local terms energy: -521.069873 where: bonds (distance) C4'-P energy: -94.645 bonds (distance) P-C4' energy: -89.396 flat angles C4'-P-C4' energy: -112.931 flat angles P-C4'-P energy: -78.143 tors. eta vs tors. theta energy: -145.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -1626.023402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.023402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.023402 (E_RNA) where: Base-Base interactions energy: -1136.964 where: short stacking energy: -461.474 Base-Backbone interact. energy: -2.946 local terms energy: -486.113505 where: bonds (distance) C4'-P energy: -90.696 bonds (distance) P-C4' energy: -96.205 flat angles C4'-P-C4' energy: -107.266 flat angles P-C4'-P energy: -71.541 tors. eta vs tors. theta energy: -120.405 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: 3 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -1536.469213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1536.469213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1536.469213 (E_RNA) where: Base-Base interactions energy: -1076.319 where: short stacking energy: -473.937 Base-Backbone interact. energy: -2.799 local terms energy: -457.350694 where: bonds (distance) C4'-P energy: -77.736 bonds (distance) P-C4' energy: -90.886 flat angles C4'-P-C4' energy: -95.628 flat angles P-C4'-P energy: -64.645 tors. eta vs tors. theta energy: -128.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -1385.987497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.987497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.987497 (E_RNA) where: Base-Base interactions energy: -937.413 where: short stacking energy: -417.486 Base-Backbone interact. energy: -1.924 local terms energy: -446.650166 where: bonds (distance) C4'-P energy: -79.934 bonds (distance) P-C4' energy: -93.518 flat angles C4'-P-C4' energy: -95.703 flat angles P-C4'-P energy: -62.743 tors. eta vs tors. theta energy: -114.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -1299.310859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1299.310859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1299.310859 (E_RNA) where: Base-Base interactions energy: -922.043 where: short stacking energy: -376.102 Base-Backbone interact. energy: -0.152 local terms energy: -377.115462 where: bonds (distance) C4'-P energy: -56.474 bonds (distance) P-C4' energy: -81.155 flat angles C4'-P-C4' energy: -92.860 flat angles P-C4'-P energy: -59.090 tors. eta vs tors. theta energy: -87.535 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: 2 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -1146.455944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.455944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.455944 (E_RNA) where: Base-Base interactions energy: -791.432 where: short stacking energy: -335.917 Base-Backbone interact. energy: -0.968 local terms energy: -354.056300 where: bonds (distance) C4'-P energy: -67.913 bonds (distance) P-C4' energy: -96.146 flat angles C4'-P-C4' energy: -86.604 flat angles P-C4'-P energy: -31.365 tors. eta vs tors. theta energy: -72.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -868.956181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.956181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.956181 (E_RNA) where: Base-Base interactions energy: -533.643 where: short stacking energy: -233.745 Base-Backbone interact. energy: 0.777 local terms energy: -336.090290 where: bonds (distance) C4'-P energy: -75.599 bonds (distance) P-C4' energy: -101.241 flat angles C4'-P-C4' energy: -85.001 flat angles P-C4'-P energy: -49.753 tors. eta vs tors. theta energy: -24.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -736.672007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.672007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.672007 (E_RNA) where: Base-Base interactions energy: -439.760 where: short stacking energy: -211.078 Base-Backbone interact. energy: 3.413 local terms energy: -300.324381 where: bonds (distance) C4'-P energy: -65.128 bonds (distance) P-C4' energy: -89.476 flat angles C4'-P-C4' energy: -76.664 flat angles P-C4'-P energy: -51.509 tors. eta vs tors. theta energy: -17.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1874.462619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.462619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.462619 (E_RNA) where: Base-Base interactions energy: -1346.242 where: short stacking energy: -558.948 Base-Backbone interact. energy: -2.722 local terms energy: -525.499404 where: bonds (distance) C4'-P energy: -104.462 bonds (distance) P-C4' energy: -93.903 flat angles C4'-P-C4' energy: -112.436 flat angles P-C4'-P energy: -64.969 tors. eta vs tors. theta energy: -149.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1768.229525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1768.229525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1768.229525 (E_RNA) where: Base-Base interactions energy: -1245.944 where: short stacking energy: -505.644 Base-Backbone interact. energy: -0.904 local terms energy: -521.381575 where: bonds (distance) C4'-P energy: -105.069 bonds (distance) P-C4' energy: -88.269 flat angles C4'-P-C4' energy: -115.167 flat angles P-C4'-P energy: -74.440 tors. eta vs tors. theta energy: -138.436 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: 8 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1730.854026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1730.854026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1730.854026 (E_RNA) where: Base-Base interactions energy: -1187.193 where: short stacking energy: -504.388 Base-Backbone interact. energy: -1.848 local terms energy: -541.813263 where: bonds (distance) C4'-P energy: -98.318 bonds (distance) P-C4' energy: -98.205 flat angles C4'-P-C4' energy: -112.971 flat angles P-C4'-P energy: -74.411 tors. eta vs tors. theta energy: -157.908 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: 4, replica: 7 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -1640.617237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1640.617237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1640.617237 (E_RNA) where: Base-Base interactions energy: -1151.800 where: short stacking energy: -486.123 Base-Backbone interact. energy: -0.430 local terms energy: -488.387485 where: bonds (distance) C4'-P energy: -90.239 bonds (distance) P-C4' energy: -100.438 flat angles C4'-P-C4' energy: -107.217 flat angles P-C4'-P energy: -66.114 tors. eta vs tors. theta energy: -124.379 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: 3 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -1522.470841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1522.470841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1522.470841 (E_RNA) where: Base-Base interactions energy: -1053.775 where: short stacking energy: -436.735 Base-Backbone interact. energy: -1.277 local terms energy: -467.419102 where: bonds (distance) C4'-P energy: -65.970 bonds (distance) P-C4' energy: -96.509 flat angles C4'-P-C4' energy: -103.675 flat angles P-C4'-P energy: -77.209 tors. eta vs tors. theta energy: -124.056 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: 6, replica: 1 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -1369.391181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1369.391181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1369.391181 (E_RNA) where: Base-Base interactions energy: -965.455 where: short stacking energy: -388.476 Base-Backbone interact. energy: -2.528 local terms energy: -401.408408 where: bonds (distance) C4'-P energy: -71.303 bonds (distance) P-C4' energy: -89.313 flat angles C4'-P-C4' energy: -91.392 flat angles P-C4'-P energy: -55.525 tors. eta vs tors. theta energy: -93.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -1340.315713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.315713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.315713 (E_RNA) where: Base-Base interactions energy: -917.787 where: short stacking energy: -396.482 Base-Backbone interact. energy: -0.460 local terms energy: -422.068372 where: bonds (distance) C4'-P energy: -77.711 bonds (distance) P-C4' energy: -98.189 flat angles C4'-P-C4' energy: -88.596 flat angles P-C4'-P energy: -51.801 tors. eta vs tors. theta energy: -105.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -1165.377975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.377975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.377975 (E_RNA) where: Base-Base interactions energy: -767.041 where: short stacking energy: -324.364 Base-Backbone interact. energy: 4.119 local terms energy: -402.455918 where: bonds (distance) C4'-P energy: -86.962 bonds (distance) P-C4' energy: -98.417 flat angles C4'-P-C4' energy: -89.093 flat angles P-C4'-P energy: -55.250 tors. eta vs tors. theta energy: -72.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -879.407735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.407735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.407735 (E_RNA) where: Base-Base interactions energy: -547.820 where: short stacking energy: -250.661 Base-Backbone interact. energy: 0.099 local terms energy: -331.685898 where: bonds (distance) C4'-P energy: -82.526 bonds (distance) P-C4' energy: -86.183 flat angles C4'-P-C4' energy: -90.504 flat angles P-C4'-P energy: -40.142 tors. eta vs tors. theta energy: -32.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -739.405251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.405251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.405251 (E_RNA) where: Base-Base interactions energy: -416.252 where: short stacking energy: -198.710 Base-Backbone interact. energy: 1.856 local terms energy: -325.008477 where: bonds (distance) C4'-P energy: -74.325 bonds (distance) P-C4' energy: -80.945 flat angles C4'-P-C4' energy: -76.664 flat angles P-C4'-P energy: -58.069 tors. eta vs tors. theta energy: -35.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1868.782556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.782556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.782556 (E_RNA) where: Base-Base interactions energy: -1315.304 where: short stacking energy: -544.632 Base-Backbone interact. energy: -3.243 local terms energy: -550.235274 where: bonds (distance) C4'-P energy: -106.662 bonds (distance) P-C4' energy: -95.231 flat angles C4'-P-C4' energy: -116.366 flat angles P-C4'-P energy: -76.340 tors. eta vs tors. theta energy: -155.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1750.530560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.530560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.530560 (E_RNA) where: Base-Base interactions energy: -1235.648 where: short stacking energy: -510.313 Base-Backbone interact. energy: -0.546 local terms energy: -514.336742 where: bonds (distance) C4'-P energy: -82.056 bonds (distance) P-C4' energy: -103.126 flat angles C4'-P-C4' energy: -118.116 flat angles P-C4'-P energy: -73.863 tors. eta vs tors. theta energy: -137.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1718.411245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.411245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.411245 (E_RNA) where: Base-Base interactions energy: -1187.117 where: short stacking energy: -510.301 Base-Backbone interact. energy: -0.958 local terms energy: -530.336202 where: bonds (distance) C4'-P energy: -91.175 bonds (distance) P-C4' energy: -100.672 flat angles C4'-P-C4' energy: -106.893 flat angles P-C4'-P energy: -82.375 tors. eta vs tors. theta energy: -149.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -1599.626722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1599.626722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1599.626722 (E_RNA) where: Base-Base interactions energy: -1120.287 where: short stacking energy: -489.934 Base-Backbone interact. energy: 1.595 local terms energy: -480.934768 where: bonds (distance) C4'-P energy: -94.743 bonds (distance) P-C4' energy: -91.993 flat angles C4'-P-C4' energy: -105.154 flat angles P-C4'-P energy: -62.579 tors. eta vs tors. theta energy: -126.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -1531.280570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.280570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.280570 (E_RNA) where: Base-Base interactions energy: -1082.627 where: short stacking energy: -463.046 Base-Backbone interact. energy: -2.325 local terms energy: -446.328392 where: bonds (distance) C4'-P energy: -86.380 bonds (distance) P-C4' energy: -61.110 flat angles C4'-P-C4' energy: -106.771 flat angles P-C4'-P energy: -58.116 tors. eta vs tors. theta energy: -133.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -1430.346237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1430.346237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1430.346237 (E_RNA) where: Base-Base interactions energy: -966.161 where: short stacking energy: -412.633 Base-Backbone interact. energy: -1.357 local terms energy: -462.827884 where: bonds (distance) C4'-P energy: -77.609 bonds (distance) P-C4' energy: -102.139 flat angles C4'-P-C4' energy: -105.109 flat angles P-C4'-P energy: -56.272 tors. eta vs tors. theta energy: -121.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -1376.608174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.608174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.608174 (E_RNA) where: Base-Base interactions energy: -964.730 where: short stacking energy: -432.292 Base-Backbone interact. energy: 0.991 local terms energy: -412.868748 where: bonds (distance) C4'-P energy: -93.421 bonds (distance) P-C4' energy: -76.345 flat angles C4'-P-C4' energy: -91.079 flat angles P-C4'-P energy: -43.220 tors. eta vs tors. theta energy: -108.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -1197.771952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.771952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.771952 (E_RNA) where: Base-Base interactions energy: -824.051 where: short stacking energy: -342.818 Base-Backbone interact. energy: 3.694 local terms energy: -377.415023 where: bonds (distance) C4'-P energy: -79.876 bonds (distance) P-C4' energy: -81.035 flat angles C4'-P-C4' energy: -83.597 flat angles P-C4'-P energy: -57.534 tors. eta vs tors. theta energy: -75.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -927.014284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.014284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.014284 (E_RNA) where: Base-Base interactions energy: -605.362 where: short stacking energy: -268.950 Base-Backbone interact. energy: -0.697 local terms energy: -320.955238 where: bonds (distance) C4'-P energy: -78.605 bonds (distance) P-C4' energy: -80.225 flat angles C4'-P-C4' energy: -67.039 flat angles P-C4'-P energy: -50.000 tors. eta vs tors. theta energy: -45.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -710.997873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.997873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.997873 (E_RNA) where: Base-Base interactions energy: -404.683 where: short stacking energy: -228.698 Base-Backbone interact. energy: -0.071 local terms energy: -306.244586 where: bonds (distance) C4'-P energy: -74.125 bonds (distance) P-C4' energy: -74.996 flat angles C4'-P-C4' energy: -73.396 flat angles P-C4'-P energy: -58.273 tors. eta vs tors. theta energy: -25.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1847.763642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1847.763642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1847.763642 (E_RNA) where: Base-Base interactions energy: -1313.281 where: short stacking energy: -531.672 Base-Backbone interact. energy: -1.057 local terms energy: -533.425979 where: bonds (distance) C4'-P energy: -98.198 bonds (distance) P-C4' energy: -105.104 flat angles C4'-P-C4' energy: -106.341 flat angles P-C4'-P energy: -77.890 tors. eta vs tors. theta energy: -145.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1777.113477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1777.113477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1777.113477 (E_RNA) where: Base-Base interactions energy: -1260.363 where: short stacking energy: -520.831 Base-Backbone interact. energy: -3.352 local terms energy: -513.398748 where: bonds (distance) C4'-P energy: -89.771 bonds (distance) P-C4' energy: -90.512 flat angles C4'-P-C4' energy: -114.337 flat angles P-C4'-P energy: -77.344 tors. eta vs tors. theta energy: -141.434 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: 8 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1699.375731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1699.375731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1699.375731 (E_RNA) where: Base-Base interactions energy: -1199.720 where: short stacking energy: -502.742 Base-Backbone interact. energy: -0.784 local terms energy: -498.872289 where: bonds (distance) C4'-P energy: -84.982 bonds (distance) P-C4' energy: -100.822 flat angles C4'-P-C4' energy: -100.170 flat angles P-C4'-P energy: -70.955 tors. eta vs tors. theta energy: -141.944 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: 7 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1589.076039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.076039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.076039 (E_RNA) where: Base-Base interactions energy: -1109.616 where: short stacking energy: -455.849 Base-Backbone interact. energy: -1.913 local terms energy: -477.547333 where: bonds (distance) C4'-P energy: -74.342 bonds (distance) P-C4' energy: -100.064 flat angles C4'-P-C4' energy: -107.385 flat angles P-C4'-P energy: -67.268 tors. eta vs tors. theta energy: -128.487 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: 3 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -1534.332326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1534.332326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1534.332326 (E_RNA) where: Base-Base interactions energy: -1064.705 where: short stacking energy: -455.463 Base-Backbone interact. energy: 2.021 local terms energy: -471.647640 where: bonds (distance) C4'-P energy: -84.637 bonds (distance) P-C4' energy: -89.794 flat angles C4'-P-C4' energy: -107.944 flat angles P-C4'-P energy: -64.203 tors. eta vs tors. theta energy: -125.069 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: 1 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -1359.047907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.047907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.047907 (E_RNA) where: Base-Base interactions energy: -937.784 where: short stacking energy: -412.252 Base-Backbone interact. energy: -1.707 local terms energy: -419.557108 where: bonds (distance) C4'-P energy: -81.300 bonds (distance) P-C4' energy: -82.086 flat angles C4'-P-C4' energy: -104.473 flat angles P-C4'-P energy: -46.885 tors. eta vs tors. theta energy: -104.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -1281.170411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.170411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.170411 (E_RNA) where: Base-Base interactions energy: -886.006 where: short stacking energy: -389.006 Base-Backbone interact. energy: -0.329 local terms energy: -394.835442 where: bonds (distance) C4'-P energy: -67.194 bonds (distance) P-C4' energy: -93.936 flat angles C4'-P-C4' energy: -85.656 flat angles P-C4'-P energy: -47.878 tors. eta vs tors. theta energy: -100.172 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: 8, replica: 2 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -1136.267860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.267860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.267860 (E_RNA) where: Base-Base interactions energy: -758.478 where: short stacking energy: -325.440 Base-Backbone interact. energy: 2.556 local terms energy: -380.346622 where: bonds (distance) C4'-P energy: -78.277 bonds (distance) P-C4' energy: -83.794 flat angles C4'-P-C4' energy: -103.201 flat angles P-C4'-P energy: -42.653 tors. eta vs tors. theta energy: -72.422 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: 10 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -889.270686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.270686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.270686 (E_RNA) where: Base-Base interactions energy: -563.851 where: short stacking energy: -248.442 Base-Backbone interact. energy: -0.365 local terms energy: -325.055494 where: bonds (distance) C4'-P energy: -81.981 bonds (distance) P-C4' energy: -93.385 flat angles C4'-P-C4' energy: -74.845 flat angles P-C4'-P energy: -31.411 tors. eta vs tors. theta energy: -43.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -804.110741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.110741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.110741 (E_RNA) where: Base-Base interactions energy: -476.765 where: short stacking energy: -235.693 Base-Backbone interact. energy: -1.436 local terms energy: -325.910516 where: bonds (distance) C4'-P energy: -79.274 bonds (distance) P-C4' energy: -85.449 flat angles C4'-P-C4' energy: -84.696 flat angles P-C4'-P energy: -49.228 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: 6 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1868.703660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1868.703660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1868.703660 (E_RNA) where: Base-Base interactions energy: -1332.344 where: short stacking energy: -559.155 Base-Backbone interact. energy: -5.136 local terms energy: -531.223635 where: bonds (distance) C4'-P energy: -99.397 bonds (distance) P-C4' energy: -97.588 flat angles C4'-P-C4' energy: -109.675 flat angles P-C4'-P energy: -72.396 tors. eta vs tors. theta energy: -152.167 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: 2, replica: 5 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1795.296571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1795.296571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1795.296571 (E_RNA) where: Base-Base interactions energy: -1284.815 where: short stacking energy: -543.869 Base-Backbone interact. energy: -0.657 local terms energy: -509.825080 where: bonds (distance) C4'-P energy: -95.102 bonds (distance) P-C4' energy: -99.226 flat angles C4'-P-C4' energy: -111.997 flat angles P-C4'-P energy: -59.854 tors. eta vs tors. theta energy: -143.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1692.938750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1692.938750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1692.938750 (E_RNA) where: Base-Base interactions energy: -1183.857 where: short stacking energy: -509.062 Base-Backbone interact. energy: -2.757 local terms energy: -506.324702 where: bonds (distance) C4'-P energy: -89.501 bonds (distance) P-C4' energy: -81.744 flat angles C4'-P-C4' energy: -111.783 flat angles P-C4'-P energy: -76.071 tors. eta vs tors. theta energy: -147.226 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: 7 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1609.906080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1609.906080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1609.906080 (E_RNA) where: Base-Base interactions energy: -1131.582 where: short stacking energy: -475.439 Base-Backbone interact. energy: -0.647 local terms energy: -477.677201 where: bonds (distance) C4'-P energy: -81.740 bonds (distance) P-C4' energy: -92.762 flat angles C4'-P-C4' energy: -102.074 flat angles P-C4'-P energy: -65.770 tors. eta vs tors. theta energy: -135.331 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: 3 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -1539.645488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.645488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.645488 (E_RNA) where: Base-Base interactions energy: -1100.720 where: short stacking energy: -476.779 Base-Backbone interact. energy: -4.626 local terms energy: -434.299864 where: bonds (distance) C4'-P energy: -62.979 bonds (distance) P-C4' energy: -88.932 flat angles C4'-P-C4' energy: -104.469 flat angles P-C4'-P energy: -57.464 tors. eta vs tors. theta energy: -120.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -1370.671145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.671145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.671145 (E_RNA) where: Base-Base interactions energy: -957.894 where: short stacking energy: -383.413 Base-Backbone interact. energy: -3.133 local terms energy: -409.644711 where: bonds (distance) C4'-P energy: -75.912 bonds (distance) P-C4' energy: -80.124 flat angles C4'-P-C4' energy: -91.735 flat angles P-C4'-P energy: -57.430 tors. eta vs tors. theta energy: -104.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -1311.676896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1311.676896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1311.676896 (E_RNA) where: Base-Base interactions energy: -888.867 where: short stacking energy: -388.870 Base-Backbone interact. energy: -1.344 local terms energy: -421.465939 where: bonds (distance) C4'-P energy: -76.814 bonds (distance) P-C4' energy: -86.896 flat angles C4'-P-C4' energy: -97.667 flat angles P-C4'-P energy: -63.584 tors. eta vs tors. theta energy: -96.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -1142.746219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.746219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.746219 (E_RNA) where: Base-Base interactions energy: -783.771 where: short stacking energy: -322.501 Base-Backbone interact. energy: 0.049 local terms energy: -359.023573 where: bonds (distance) C4'-P energy: -75.362 bonds (distance) P-C4' energy: -72.231 flat angles C4'-P-C4' energy: -99.623 flat angles P-C4'-P energy: -55.219 tors. eta vs tors. theta energy: -56.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -796.463978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.463978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.463978 (E_RNA) where: Base-Base interactions energy: -510.446 where: short stacking energy: -258.469 Base-Backbone interact. energy: 2.467 local terms energy: -288.485319 where: bonds (distance) C4'-P energy: -74.151 bonds (distance) P-C4' energy: -65.417 flat angles C4'-P-C4' energy: -70.009 flat angles P-C4'-P energy: -52.313 tors. eta vs tors. theta energy: -26.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -802.479113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.479113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.479113 (E_RNA) where: Base-Base interactions energy: -500.713 where: short stacking energy: -243.075 Base-Backbone interact. energy: 3.599 local terms energy: -305.365083 where: bonds (distance) C4'-P energy: -80.022 bonds (distance) P-C4' energy: -75.484 flat angles C4'-P-C4' energy: -76.071 flat angles P-C4'-P energy: -48.261 tors. eta vs tors. theta energy: -25.528 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: 6 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1893.004298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.004298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.004298 (E_RNA) where: Base-Base interactions energy: -1349.138 where: short stacking energy: -564.223 Base-Backbone interact. energy: -0.756 local terms energy: -543.110360 where: bonds (distance) C4'-P energy: -99.294 bonds (distance) P-C4' energy: -97.915 flat angles C4'-P-C4' energy: -113.503 flat angles P-C4'-P energy: -75.987 tors. eta vs tors. theta energy: -156.411 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: 5 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1788.975046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.975046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.975046 (E_RNA) where: Base-Base interactions energy: -1275.817 where: short stacking energy: -530.361 Base-Backbone interact. energy: -1.589 local terms energy: -511.568983 where: bonds (distance) C4'-P energy: -92.842 bonds (distance) P-C4' energy: -96.247 flat angles C4'-P-C4' energy: -112.852 flat angles P-C4'-P energy: -72.340 tors. eta vs tors. theta energy: -137.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -1707.591331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.591331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.591331 (E_RNA) where: Base-Base interactions energy: -1214.042 where: short stacking energy: -513.723 Base-Backbone interact. energy: -0.889 local terms energy: -492.659640 where: bonds (distance) C4'-P energy: -88.666 bonds (distance) P-C4' energy: -92.684 flat angles C4'-P-C4' energy: -104.908 flat angles P-C4'-P energy: -63.967 tors. eta vs tors. theta energy: -142.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1591.623419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1591.623419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1591.623419 (E_RNA) where: Base-Base interactions energy: -1123.339 where: short stacking energy: -460.192 Base-Backbone interact. energy: -5.518 local terms energy: -462.766564 where: bonds (distance) C4'-P energy: -95.099 bonds (distance) P-C4' energy: -73.196 flat angles C4'-P-C4' energy: -107.733 flat angles P-C4'-P energy: -64.657 tors. eta vs tors. theta energy: -122.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -1575.178723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1575.178723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1575.178723 (E_RNA) where: Base-Base interactions energy: -1062.788 where: short stacking energy: -430.469 Base-Backbone interact. energy: 1.422 local terms energy: -513.813090 where: bonds (distance) C4'-P energy: -107.776 bonds (distance) P-C4' energy: -110.546 flat angles C4'-P-C4' energy: -91.562 flat angles P-C4'-P energy: -82.233 tors. eta vs tors. theta energy: -121.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -1398.122624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.122624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.122624 (E_RNA) where: Base-Base interactions energy: -961.227 where: short stacking energy: -397.714 Base-Backbone interact. energy: -2.472 local terms energy: -434.423570 where: bonds (distance) C4'-P energy: -82.655 bonds (distance) P-C4' energy: -80.091 flat angles C4'-P-C4' energy: -97.675 flat angles P-C4'-P energy: -62.971 tors. eta vs tors. theta energy: -111.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -1297.465681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.465681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.465681 (E_RNA) where: Base-Base interactions energy: -874.992 where: short stacking energy: -415.991 Base-Backbone interact. energy: 0.828 local terms energy: -423.301973 where: bonds (distance) C4'-P energy: -94.173 bonds (distance) P-C4' energy: -56.879 flat angles C4'-P-C4' energy: -94.855 flat angles P-C4'-P energy: -68.166 tors. eta vs tors. theta energy: -109.229 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: 8, replica: 2 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -1111.172949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.172949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.172949 (E_RNA) where: Base-Base interactions energy: -761.196 where: short stacking energy: -332.645 Base-Backbone interact. energy: 1.763 local terms energy: -351.740239 where: bonds (distance) C4'-P energy: -76.963 bonds (distance) P-C4' energy: -79.118 flat angles C4'-P-C4' energy: -73.791 flat angles P-C4'-P energy: -58.262 tors. eta vs tors. theta energy: -63.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -833.133823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.133823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.133823 (E_RNA) where: Base-Base interactions energy: -539.398 where: short stacking energy: -251.077 Base-Backbone interact. energy: 1.964 local terms energy: -295.699703 where: bonds (distance) C4'-P energy: -77.562 bonds (distance) P-C4' energy: -75.437 flat angles C4'-P-C4' energy: -66.898 flat angles P-C4'-P energy: -53.247 tors. eta vs tors. theta energy: -22.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -853.510892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.510892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.510892 (E_RNA) where: Base-Base interactions energy: -554.568 where: short stacking energy: -254.122 Base-Backbone interact. energy: 0.422 local terms energy: -299.364369 where: bonds (distance) C4'-P energy: -67.293 bonds (distance) P-C4' energy: -83.714 flat angles C4'-P-C4' energy: -63.605 flat angles P-C4'-P energy: -46.118 tors. eta vs tors. theta energy: -38.634 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: 6 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1878.434887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.434887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.434887 (E_RNA) where: Base-Base interactions energy: -1349.673 where: short stacking energy: -560.760 Base-Backbone interact. energy: -1.573 local terms energy: -527.188097 where: bonds (distance) C4'-P energy: -87.916 bonds (distance) P-C4' energy: -92.189 flat angles C4'-P-C4' energy: -113.387 flat angles P-C4'-P energy: -82.619 tors. eta vs tors. theta energy: -151.076 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: 5 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1779.596253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1779.596253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1779.596253 (E_RNA) where: Base-Base interactions energy: -1259.730 where: short stacking energy: -519.118 Base-Backbone interact. energy: -4.027 local terms energy: -515.839306 where: bonds (distance) C4'-P energy: -98.753 bonds (distance) P-C4' energy: -85.299 flat angles C4'-P-C4' energy: -110.058 flat angles P-C4'-P energy: -81.981 tors. eta vs tors. theta energy: -139.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1696.258783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1696.258783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1696.258783 (E_RNA) where: Base-Base interactions energy: -1205.943 where: short stacking energy: -506.592 Base-Backbone interact. energy: -1.575 local terms energy: -488.740131 where: bonds (distance) C4'-P energy: -80.430 bonds (distance) P-C4' energy: -89.558 flat angles C4'-P-C4' energy: -105.548 flat angles P-C4'-P energy: -71.076 tors. eta vs tors. theta energy: -142.128 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: 7 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1639.051929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1639.051929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1639.051929 (E_RNA) where: Base-Base interactions energy: -1138.052 where: short stacking energy: -483.427 Base-Backbone interact. energy: -0.734 local terms energy: -500.265867 where: bonds (distance) C4'-P energy: -93.289 bonds (distance) P-C4' energy: -94.755 flat angles C4'-P-C4' energy: -107.981 flat angles P-C4'-P energy: -76.527 tors. eta vs tors. theta energy: -127.714 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: 466 Temperature: 1.100000 Total energy: -1565.678024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1565.678024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1565.678024 (E_RNA) where: Base-Base interactions energy: -1102.615 where: short stacking energy: -448.903 Base-Backbone interact. energy: -0.508 local terms energy: -462.555420 where: bonds (distance) C4'-P energy: -82.344 bonds (distance) P-C4' energy: -93.287 flat angles C4'-P-C4' energy: -89.393 flat angles P-C4'-P energy: -66.970 tors. eta vs tors. theta energy: -130.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -1439.006030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1439.006030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1439.006030 (E_RNA) where: Base-Base interactions energy: -999.949 where: short stacking energy: -430.006 Base-Backbone interact. energy: -0.079 local terms energy: -438.978591 where: bonds (distance) C4'-P energy: -86.300 bonds (distance) P-C4' energy: -97.208 flat angles C4'-P-C4' energy: -85.295 flat angles P-C4'-P energy: -57.656 tors. eta vs tors. theta energy: -112.520 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: 2 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -1251.498785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1251.498785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1251.498785 (E_RNA) where: Base-Base interactions energy: -835.527 where: short stacking energy: -337.538 Base-Backbone interact. energy: -4.445 local terms energy: -411.527447 where: bonds (distance) C4'-P energy: -72.081 bonds (distance) P-C4' energy: -96.356 flat angles C4'-P-C4' energy: -86.685 flat angles P-C4'-P energy: -65.196 tors. eta vs tors. theta energy: -91.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -1258.137181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1258.137181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1258.137181 (E_RNA) where: Base-Base interactions energy: -857.498 where: short stacking energy: -368.220 Base-Backbone interact. energy: -2.264 local terms energy: -398.374528 where: bonds (distance) C4'-P energy: -77.399 bonds (distance) P-C4' energy: -83.337 flat angles C4'-P-C4' energy: -84.087 flat angles P-C4'-P energy: -65.892 tors. eta vs tors. theta energy: -87.659 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: 4 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -881.392025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.392025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.392025 (E_RNA) where: Base-Base interactions energy: -538.357 where: short stacking energy: -235.899 Base-Backbone interact. energy: -1.422 local terms energy: -341.612871 where: bonds (distance) C4'-P energy: -82.848 bonds (distance) P-C4' energy: -84.683 flat angles C4'-P-C4' energy: -78.060 flat angles P-C4'-P energy: -45.171 tors. eta vs tors. theta energy: -50.851 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: 10, replica: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -882.711522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.711522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.711522 (E_RNA) where: Base-Base interactions energy: -549.625 where: short stacking energy: -241.392 Base-Backbone interact. energy: 0.397 local terms energy: -333.483885 where: bonds (distance) C4'-P energy: -76.164 bonds (distance) P-C4' energy: -84.440 flat angles C4'-P-C4' energy: -87.303 flat angles P-C4'-P energy: -37.042 tors. eta vs tors. theta energy: -48.535 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: 6 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1880.899585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.899585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.899585 (E_RNA) where: Base-Base interactions energy: -1336.336 where: short stacking energy: -554.923 Base-Backbone interact. energy: -0.328 local terms energy: -544.234868 where: bonds (distance) C4'-P energy: -95.701 bonds (distance) P-C4' energy: -100.525 flat angles C4'-P-C4' energy: -110.334 flat angles P-C4'-P energy: -79.466 tors. eta vs tors. theta energy: -158.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1789.960381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.960381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.960381 (E_RNA) where: Base-Base interactions energy: -1286.473 where: short stacking energy: -534.403 Base-Backbone interact. energy: 2.724 local terms energy: -506.210780 where: bonds (distance) C4'-P energy: -93.091 bonds (distance) P-C4' energy: -100.862 flat angles C4'-P-C4' energy: -103.694 flat angles P-C4'-P energy: -64.745 tors. eta vs tors. theta energy: -143.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1694.800063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1694.800063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1694.800063 (E_RNA) where: Base-Base interactions energy: -1172.756 where: short stacking energy: -500.662 Base-Backbone interact. energy: -3.162 local terms energy: -518.882656 where: bonds (distance) C4'-P energy: -87.438 bonds (distance) P-C4' energy: -106.177 flat angles C4'-P-C4' energy: -109.442 flat angles P-C4'-P energy: -78.028 tors. eta vs tors. theta energy: -137.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -1613.588120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.588120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.588120 (E_RNA) where: Base-Base interactions energy: -1136.012 where: short stacking energy: -474.813 Base-Backbone interact. energy: 0.107 local terms energy: -477.683633 where: bonds (distance) C4'-P energy: -73.434 bonds (distance) P-C4' energy: -96.591 flat angles C4'-P-C4' energy: -102.386 flat angles P-C4'-P energy: -64.910 tors. eta vs tors. theta energy: -140.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -1555.674249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.674249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.674249 (E_RNA) where: Base-Base interactions energy: -1077.868 where: short stacking energy: -467.316 Base-Backbone interact. energy: 1.101 local terms energy: -478.907596 where: bonds (distance) C4'-P energy: -91.738 bonds (distance) P-C4' energy: -86.368 flat angles C4'-P-C4' energy: -98.293 flat angles P-C4'-P energy: -72.767 tors. eta vs tors. theta energy: -129.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -1417.569627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1417.569627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1417.569627 (E_RNA) where: Base-Base interactions energy: -980.815 where: short stacking energy: -425.817 Base-Backbone interact. energy: 0.920 local terms energy: -437.674848 where: bonds (distance) C4'-P energy: -82.562 bonds (distance) P-C4' energy: -85.387 flat angles C4'-P-C4' energy: -100.243 flat angles P-C4'-P energy: -54.145 tors. eta vs tors. theta energy: -115.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -1345.336371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1345.336371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1345.336371 (E_RNA) where: Base-Base interactions energy: -952.668 where: short stacking energy: -382.504 Base-Backbone interact. energy: -4.644 local terms energy: -388.024376 where: bonds (distance) C4'-P energy: -70.382 bonds (distance) P-C4' energy: -80.804 flat angles C4'-P-C4' energy: -91.416 flat angles P-C4'-P energy: -59.047 tors. eta vs tors. theta energy: -86.376 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: 467 Temperature: 1.250000 Total energy: -1248.284831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.284831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.284831 (E_RNA) where: Base-Base interactions energy: -852.192 where: short stacking energy: -366.437 Base-Backbone interact. energy: -0.273 local terms energy: -395.820184 where: bonds (distance) C4'-P energy: -68.484 bonds (distance) P-C4' energy: -98.876 flat angles C4'-P-C4' energy: -84.977 flat angles P-C4'-P energy: -60.303 tors. eta vs tors. theta energy: -83.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -878.097142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.097142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.097142 (E_RNA) where: Base-Base interactions energy: -511.561 where: short stacking energy: -261.637 Base-Backbone interact. energy: 3.380 local terms energy: -369.916297 where: bonds (distance) C4'-P energy: -81.042 bonds (distance) P-C4' energy: -88.382 flat angles C4'-P-C4' energy: -104.986 flat angles P-C4'-P energy: -48.124 tors. eta vs tors. theta energy: -47.383 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: 10, replica: 10 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -873.477207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.477207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.477207 (E_RNA) where: Base-Base interactions energy: -566.128 where: short stacking energy: -236.647 Base-Backbone interact. energy: 8.175 local terms energy: -315.524605 where: bonds (distance) C4'-P energy: -83.447 bonds (distance) P-C4' energy: -79.620 flat angles C4'-P-C4' energy: -79.915 flat angles P-C4'-P energy: -45.909 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: 1, replica: 6 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1872.887704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1872.887704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1872.887704 (E_RNA) where: Base-Base interactions energy: -1323.803 where: short stacking energy: -544.652 Base-Backbone interact. energy: 3.960 local terms energy: -553.044239 where: bonds (distance) C4'-P energy: -107.501 bonds (distance) P-C4' energy: -102.217 flat angles C4'-P-C4' energy: -116.052 flat angles P-C4'-P energy: -68.247 tors. eta vs tors. theta energy: -159.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1797.624845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.624845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.624845 (E_RNA) where: Base-Base interactions energy: -1252.840 where: short stacking energy: -522.349 Base-Backbone interact. energy: 0.672 local terms energy: -545.457201 where: bonds (distance) C4'-P energy: -100.821 bonds (distance) P-C4' energy: -108.639 flat angles C4'-P-C4' energy: -111.952 flat angles P-C4'-P energy: -80.817 tors. eta vs tors. theta energy: -143.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1686.985434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1686.985434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1686.985434 (E_RNA) where: Base-Base interactions energy: -1178.933 where: short stacking energy: -502.045 Base-Backbone interact. energy: -3.002 local terms energy: -505.051045 where: bonds (distance) C4'-P energy: -89.929 bonds (distance) P-C4' energy: -78.262 flat angles C4'-P-C4' energy: -110.794 flat angles P-C4'-P energy: -73.169 tors. eta vs tors. theta energy: -152.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1646.336478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1646.336478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1646.336478 (E_RNA) where: Base-Base interactions energy: -1162.009 where: short stacking energy: -483.337 Base-Backbone interact. energy: 1.591 local terms energy: -485.918824 where: bonds (distance) C4'-P energy: -74.493 bonds (distance) P-C4' energy: -96.917 flat angles C4'-P-C4' energy: -101.125 flat angles P-C4'-P energy: -73.377 tors. eta vs tors. theta energy: -140.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -1558.540805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1558.540805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1558.540805 (E_RNA) where: Base-Base interactions energy: -1068.275 where: short stacking energy: -446.872 Base-Backbone interact. energy: -1.417 local terms energy: -488.848363 where: bonds (distance) C4'-P energy: -97.615 bonds (distance) P-C4' energy: -84.836 flat angles C4'-P-C4' energy: -104.200 flat angles P-C4'-P energy: -74.093 tors. eta vs tors. theta energy: -128.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -1387.441854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.441854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.441854 (E_RNA) where: Base-Base interactions energy: -931.219 where: short stacking energy: -387.510 Base-Backbone interact. energy: -3.715 local terms energy: -452.507338 where: bonds (distance) C4'-P energy: -92.855 bonds (distance) P-C4' energy: -98.047 flat angles C4'-P-C4' energy: -97.323 flat angles P-C4'-P energy: -55.126 tors. eta vs tors. theta energy: -109.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -1255.553406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1255.553406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1255.553406 (E_RNA) where: Base-Base interactions energy: -850.226 where: short stacking energy: -355.531 Base-Backbone interact. energy: -1.047 local terms energy: -404.281145 where: bonds (distance) C4'-P energy: -83.864 bonds (distance) P-C4' energy: -90.988 flat angles C4'-P-C4' energy: -82.777 flat angles P-C4'-P energy: -59.367 tors. eta vs tors. theta energy: -87.285 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: 9 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -1266.470403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1266.470403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1266.470403 (E_RNA) where: Base-Base interactions energy: -869.557 where: short stacking energy: -372.238 Base-Backbone interact. energy: -0.302 local terms energy: -396.611436 where: bonds (distance) C4'-P energy: -88.181 bonds (distance) P-C4' energy: -54.539 flat angles C4'-P-C4' energy: -88.568 flat angles P-C4'-P energy: -62.732 tors. eta vs tors. theta energy: -102.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -899.802440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.802440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.802440 (E_RNA) where: Base-Base interactions energy: -567.753 where: short stacking energy: -262.640 Base-Backbone interact. energy: -2.062 local terms energy: -329.986557 where: bonds (distance) C4'-P energy: -84.641 bonds (distance) P-C4' energy: -65.003 flat angles C4'-P-C4' energy: -81.062 flat angles P-C4'-P energy: -48.105 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: 10, replica: 10 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -858.538121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.538121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.538121 (E_RNA) where: Base-Base interactions energy: -513.863 where: short stacking energy: -221.427 Base-Backbone interact. energy: -2.948 local terms energy: -341.726879 where: bonds (distance) C4'-P energy: -77.976 bonds (distance) P-C4' energy: -87.651 flat angles C4'-P-C4' energy: -80.060 flat angles P-C4'-P energy: -57.630 tors. eta vs tors. theta energy: -38.410 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: 6 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1898.081285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1898.081285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1898.081285 (E_RNA) where: Base-Base interactions energy: -1351.009 where: short stacking energy: -540.825 Base-Backbone interact. energy: 3.584 local terms energy: -550.656433 where: bonds (distance) C4'-P energy: -93.156 bonds (distance) P-C4' energy: -96.718 flat angles C4'-P-C4' energy: -117.948 flat angles P-C4'-P energy: -88.790 tors. eta vs tors. theta energy: -154.044 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: 5 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1797.285601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.285601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.285601 (E_RNA) where: Base-Base interactions energy: -1287.546 where: short stacking energy: -531.935 Base-Backbone interact. energy: 0.814 local terms energy: -510.553538 where: bonds (distance) C4'-P energy: -80.437 bonds (distance) P-C4' energy: -95.677 flat angles C4'-P-C4' energy: -112.623 flat angles P-C4'-P energy: -76.937 tors. eta vs tors. theta energy: -144.880 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: 8 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1710.179542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1710.179542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1710.179542 (E_RNA) where: Base-Base interactions energy: -1188.778 where: short stacking energy: -503.673 Base-Backbone interact. energy: -3.968 local terms energy: -517.433337 where: bonds (distance) C4'-P energy: -96.276 bonds (distance) P-C4' energy: -95.871 flat angles C4'-P-C4' energy: -102.138 flat angles P-C4'-P energy: -77.898 tors. eta vs tors. theta energy: -145.251 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: 7 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1688.491789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1688.491789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1688.491789 (E_RNA) where: Base-Base interactions energy: -1195.878 where: short stacking energy: -491.416 Base-Backbone interact. energy: 0.332 local terms energy: -492.945725 where: bonds (distance) C4'-P energy: -90.740 bonds (distance) P-C4' energy: -85.846 flat angles C4'-P-C4' energy: -105.679 flat angles P-C4'-P energy: -75.674 tors. eta vs tors. theta energy: -135.007 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: 3 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -1583.141615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.141615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.141615 (E_RNA) where: Base-Base interactions energy: -1111.976 where: short stacking energy: -462.104 Base-Backbone interact. energy: 2.464 local terms energy: -473.629448 where: bonds (distance) C4'-P energy: -83.372 bonds (distance) P-C4' energy: -97.778 flat angles C4'-P-C4' energy: -100.969 flat angles P-C4'-P energy: -58.506 tors. eta vs tors. theta energy: -133.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -1402.261249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1402.261249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1402.261249 (E_RNA) where: Base-Base interactions energy: -985.036 where: short stacking energy: -397.946 Base-Backbone interact. energy: -1.971 local terms energy: -415.253833 where: bonds (distance) C4'-P energy: -81.777 bonds (distance) P-C4' energy: -81.230 flat angles C4'-P-C4' energy: -93.079 flat angles P-C4'-P energy: -59.004 tors. eta vs tors. theta energy: -100.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -1302.827078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.827078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.827078 (E_RNA) where: Base-Base interactions energy: -918.580 where: short stacking energy: -389.964 Base-Backbone interact. energy: 2.161 local terms energy: -386.407309 where: bonds (distance) C4'-P energy: -74.823 bonds (distance) P-C4' energy: -85.470 flat angles C4'-P-C4' energy: -73.368 flat angles P-C4'-P energy: -59.121 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: 8, replica: 9 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -1214.275520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1214.275520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1214.275520 (E_RNA) where: Base-Base interactions energy: -808.729 where: short stacking energy: -346.458 Base-Backbone interact. energy: -0.670 local terms energy: -404.876539 where: bonds (distance) C4'-P energy: -84.155 bonds (distance) P-C4' energy: -88.746 flat angles C4'-P-C4' energy: -87.266 flat angles P-C4'-P energy: -62.793 tors. eta vs tors. theta energy: -81.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -908.906889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.906889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.906889 (E_RNA) where: Base-Base interactions energy: -568.684 where: short stacking energy: -267.961 Base-Backbone interact. energy: -0.074 local terms energy: -340.148901 where: bonds (distance) C4'-P energy: -85.192 bonds (distance) P-C4' energy: -75.423 flat angles C4'-P-C4' energy: -80.737 flat angles P-C4'-P energy: -58.193 tors. eta vs tors. theta energy: -40.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -921.837652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.837652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.837652 (E_RNA) where: Base-Base interactions energy: -591.177 where: short stacking energy: -255.390 Base-Backbone interact. energy: -1.715 local terms energy: -328.945908 where: bonds (distance) C4'-P energy: -66.304 bonds (distance) P-C4' energy: -82.638 flat angles C4'-P-C4' energy: -83.758 flat angles P-C4'-P energy: -51.051 tors. eta vs tors. theta energy: -45.195 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: 6 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1876.788288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1876.788288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1876.788288 (E_RNA) where: Base-Base interactions energy: -1328.964 where: short stacking energy: -549.444 Base-Backbone interact. energy: -0.937 local terms energy: -546.887578 where: bonds (distance) C4'-P energy: -102.636 bonds (distance) P-C4' energy: -106.288 flat angles C4'-P-C4' energy: -109.663 flat angles P-C4'-P energy: -68.590 tors. eta vs tors. theta energy: -159.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1787.490182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1787.490182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1787.490182 (E_RNA) where: Base-Base interactions energy: -1254.082 where: short stacking energy: -512.909 Base-Backbone interact. energy: -2.102 local terms energy: -531.305617 where: bonds (distance) C4'-P energy: -98.000 bonds (distance) P-C4' energy: -104.369 flat angles C4'-P-C4' energy: -116.398 flat angles P-C4'-P energy: -71.858 tors. eta vs tors. theta energy: -140.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1700.350104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1700.350104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1700.350104 (E_RNA) where: Base-Base interactions energy: -1207.830 where: short stacking energy: -511.210 Base-Backbone interact. energy: 3.000 local terms energy: -495.519363 where: bonds (distance) C4'-P energy: -86.596 bonds (distance) P-C4' energy: -91.799 flat angles C4'-P-C4' energy: -108.702 flat angles P-C4'-P energy: -65.650 tors. eta vs tors. theta energy: -142.772 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: 7 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1589.212070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1589.212070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1589.212070 (E_RNA) where: Base-Base interactions energy: -1104.221 where: short stacking energy: -451.462 Base-Backbone interact. energy: -3.214 local terms energy: -481.777418 where: bonds (distance) C4'-P energy: -83.104 bonds (distance) P-C4' energy: -92.789 flat angles C4'-P-C4' energy: -103.428 flat angles P-C4'-P energy: -74.820 tors. eta vs tors. theta energy: -127.636 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: 3 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1496.670216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1496.670216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1496.670216 (E_RNA) where: Base-Base interactions energy: -1062.317 where: short stacking energy: -422.766 Base-Backbone interact. energy: -1.208 local terms energy: -433.144741 where: bonds (distance) C4'-P energy: -62.206 bonds (distance) P-C4' energy: -92.578 flat angles C4'-P-C4' energy: -104.354 flat angles P-C4'-P energy: -51.963 tors. eta vs tors. theta energy: -122.044 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: 1 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -1406.636934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1406.636934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1406.636934 (E_RNA) where: Base-Base interactions energy: -981.532 where: short stacking energy: -410.535 Base-Backbone interact. energy: -2.032 local terms energy: -423.072318 where: bonds (distance) C4'-P energy: -84.135 bonds (distance) P-C4' energy: -86.474 flat angles C4'-P-C4' energy: -89.445 flat angles P-C4'-P energy: -62.746 tors. eta vs tors. theta energy: -100.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -1248.470725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1248.470725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1248.470725 (E_RNA) where: Base-Base interactions energy: -835.011 where: short stacking energy: -349.303 Base-Backbone interact. energy: 1.671 local terms energy: -415.131640 where: bonds (distance) C4'-P energy: -98.504 bonds (distance) P-C4' energy: -87.704 flat angles C4'-P-C4' energy: -96.289 flat angles P-C4'-P energy: -56.219 tors. eta vs tors. theta energy: -76.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -1281.735681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1281.735681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1281.735681 (E_RNA) where: Base-Base interactions energy: -886.491 where: short stacking energy: -360.543 Base-Backbone interact. energy: -2.714 local terms energy: -392.529823 where: bonds (distance) C4'-P energy: -94.260 bonds (distance) P-C4' energy: -86.764 flat angles C4'-P-C4' energy: -72.557 flat angles P-C4'-P energy: -49.636 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: 9, replica: 10 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -945.912841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.912841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.912841 (E_RNA) where: Base-Base interactions energy: -630.585 where: short stacking energy: -275.730 Base-Backbone interact. energy: 2.647 local terms energy: -317.974792 where: bonds (distance) C4'-P energy: -74.460 bonds (distance) P-C4' energy: -80.796 flat angles C4'-P-C4' energy: -78.087 flat angles P-C4'-P energy: -37.710 tors. eta vs tors. theta energy: -46.922 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: 4 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -867.224057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.224057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.224057 (E_RNA) where: Base-Base interactions energy: -538.392 where: short stacking energy: -242.656 Base-Backbone interact. energy: -2.285 local terms energy: -326.547168 where: bonds (distance) C4'-P energy: -73.447 bonds (distance) P-C4' energy: -87.825 flat angles C4'-P-C4' energy: -77.772 flat angles P-C4'-P energy: -50.657 tors. eta vs tors. theta energy: -36.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1891.626736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.626736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.626736 (E_RNA) where: Base-Base interactions energy: -1342.325 where: short stacking energy: -574.847 Base-Backbone interact. energy: -3.018 local terms energy: -546.284136 where: bonds (distance) C4'-P energy: -96.967 bonds (distance) P-C4' energy: -94.320 flat angles C4'-P-C4' energy: -115.564 flat angles P-C4'-P energy: -83.164 tors. eta vs tors. theta energy: -156.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1790.523402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1790.523402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1790.523402 (E_RNA) where: Base-Base interactions energy: -1269.445 where: short stacking energy: -528.593 Base-Backbone interact. energy: -0.716 local terms energy: -520.362582 where: bonds (distance) C4'-P energy: -89.763 bonds (distance) P-C4' energy: -95.208 flat angles C4'-P-C4' energy: -117.305 flat angles P-C4'-P energy: -74.179 tors. eta vs tors. theta energy: -143.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1722.690282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1722.690282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1722.690282 (E_RNA) where: Base-Base interactions energy: -1189.132 where: short stacking energy: -496.833 Base-Backbone interact. energy: -2.608 local terms energy: -530.950478 where: bonds (distance) C4'-P energy: -98.991 bonds (distance) P-C4' energy: -92.830 flat angles C4'-P-C4' energy: -114.276 flat angles P-C4'-P energy: -76.432 tors. eta vs tors. theta energy: -148.422 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: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1561.527167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1561.527167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1561.527167 (E_RNA) where: Base-Base interactions energy: -1092.465 where: short stacking energy: -467.184 Base-Backbone interact. energy: -3.103 local terms energy: -465.958796 where: bonds (distance) C4'-P energy: -69.633 bonds (distance) P-C4' energy: -88.861 flat angles C4'-P-C4' energy: -105.595 flat angles P-C4'-P energy: -70.322 tors. eta vs tors. theta energy: -131.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1533.804868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.804868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.804868 (E_RNA) where: Base-Base interactions energy: -1090.323 where: short stacking energy: -442.736 Base-Backbone interact. energy: -3.812 local terms energy: -439.670457 where: bonds (distance) C4'-P energy: -63.485 bonds (distance) P-C4' energy: -97.478 flat angles C4'-P-C4' energy: -100.084 flat angles P-C4'-P energy: -63.104 tors. eta vs tors. theta energy: -115.519 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: 1 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -1390.969277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1390.969277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1390.969277 (E_RNA) where: Base-Base interactions energy: -967.526 where: short stacking energy: -417.256 Base-Backbone interact. energy: 5.947 local terms energy: -429.390278 where: bonds (distance) C4'-P energy: -80.460 bonds (distance) P-C4' energy: -75.051 flat angles C4'-P-C4' energy: -100.086 flat angles P-C4'-P energy: -62.731 tors. eta vs tors. theta energy: -111.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -1278.378635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1278.378635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1278.378635 (E_RNA) where: Base-Base interactions energy: -877.331 where: short stacking energy: -381.230 Base-Backbone interact. energy: 1.560 local terms energy: -402.607852 where: bonds (distance) C4'-P energy: -71.996 bonds (distance) P-C4' energy: -93.823 flat angles C4'-P-C4' energy: -90.508 flat angles P-C4'-P energy: -53.386 tors. eta vs tors. theta energy: -92.895 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: 2 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -1288.300769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1288.300769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1288.300769 (E_RNA) where: Base-Base interactions energy: -913.314 where: short stacking energy: -371.728 Base-Backbone interact. energy: -2.319 local terms energy: -372.667711 where: bonds (distance) C4'-P energy: -89.450 bonds (distance) P-C4' energy: -76.303 flat angles C4'-P-C4' energy: -84.762 flat angles P-C4'-P energy: -28.245 tors. eta vs tors. theta energy: -93.908 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: 10 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -1011.160647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.160647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.160647 (E_RNA) where: Base-Base interactions energy: -654.297 where: short stacking energy: -299.108 Base-Backbone interact. energy: 1.624 local terms energy: -358.487392 where: bonds (distance) C4'-P energy: -77.323 bonds (distance) P-C4' energy: -88.240 flat angles C4'-P-C4' energy: -90.655 flat angles P-C4'-P energy: -45.418 tors. eta vs tors. theta energy: -56.851 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: 10, replica: 4 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -892.065993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.065993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.065993 (E_RNA) where: Base-Base interactions energy: -579.973 where: short stacking energy: -270.958 Base-Backbone interact. energy: 1.531 local terms energy: -313.624051 where: bonds (distance) C4'-P energy: -85.996 bonds (distance) P-C4' energy: -81.524 flat angles C4'-P-C4' energy: -66.953 flat angles P-C4'-P energy: -42.721 tors. eta vs tors. theta energy: -36.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1864.100503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.100503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.100503 (E_RNA) where: Base-Base interactions energy: -1328.197 where: short stacking energy: -541.209 Base-Backbone interact. energy: -4.484 local terms energy: -531.419462 where: bonds (distance) C4'-P energy: -103.103 bonds (distance) P-C4' energy: -93.970 flat angles C4'-P-C4' energy: -115.304 flat angles P-C4'-P energy: -74.509 tors. eta vs tors. theta energy: -144.534 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: 5 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1801.173186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1801.173186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1801.173186 (E_RNA) where: Base-Base interactions energy: -1275.825 where: short stacking energy: -529.677 Base-Backbone interact. energy: -1.970 local terms energy: -523.377648 where: bonds (distance) C4'-P energy: -89.068 bonds (distance) P-C4' energy: -97.636 flat angles C4'-P-C4' energy: -105.184 flat angles P-C4'-P energy: -85.434 tors. eta vs tors. theta energy: -146.057 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: 8 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1724.937923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1724.937923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1724.937923 (E_RNA) where: Base-Base interactions energy: -1199.923 where: short stacking energy: -487.719 Base-Backbone interact. energy: -3.474 local terms energy: -521.540846 where: bonds (distance) C4'-P energy: -99.321 bonds (distance) P-C4' energy: -99.527 flat angles C4'-P-C4' energy: -105.184 flat angles P-C4'-P energy: -78.046 tors. eta vs tors. theta energy: -139.463 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: 3 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1539.165573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1539.165573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1539.165573 (E_RNA) where: Base-Base interactions energy: -1055.650 where: short stacking energy: -466.783 Base-Backbone interact. energy: -2.170 local terms energy: -481.345590 where: bonds (distance) C4'-P energy: -95.897 bonds (distance) P-C4' energy: -89.445 flat angles C4'-P-C4' energy: -107.466 flat angles P-C4'-P energy: -64.456 tors. eta vs tors. theta energy: -124.083 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: 472 Temperature: 1.100000 Total energy: -1514.365598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1514.365598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1514.365598 (E_RNA) where: Base-Base interactions energy: -1077.572 where: short stacking energy: -439.245 Base-Backbone interact. energy: 1.953 local terms energy: -438.746684 where: bonds (distance) C4'-P energy: -76.424 bonds (distance) P-C4' energy: -77.764 flat angles C4'-P-C4' energy: -98.692 flat angles P-C4'-P energy: -76.151 tors. eta vs tors. theta energy: -109.716 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: 472 Temperature: 1.150000 Total energy: -1398.778802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1398.778802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1398.778802 (E_RNA) where: Base-Base interactions energy: -948.784 where: short stacking energy: -420.579 Base-Backbone interact. energy: 0.948 local terms energy: -450.942862 where: bonds (distance) C4'-P energy: -78.850 bonds (distance) P-C4' energy: -80.425 flat angles C4'-P-C4' energy: -99.323 flat angles P-C4'-P energy: -74.615 tors. eta vs tors. theta energy: -117.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -1273.216236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1273.216236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1273.216236 (E_RNA) where: Base-Base interactions energy: -886.156 where: short stacking energy: -384.750 Base-Backbone interact. energy: 0.902 local terms energy: -387.961951 where: bonds (distance) C4'-P energy: -83.987 bonds (distance) P-C4' energy: -70.588 flat angles C4'-P-C4' energy: -94.188 flat angles P-C4'-P energy: -50.525 tors. eta vs tors. theta energy: -88.674 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: 472 Temperature: 1.250000 Total energy: -1300.691754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1300.691754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1300.691754 (E_RNA) where: Base-Base interactions energy: -902.917 where: short stacking energy: -402.425 Base-Backbone interact. energy: 0.679 local terms energy: -398.453936 where: bonds (distance) C4'-P energy: -69.944 bonds (distance) P-C4' energy: -81.437 flat angles C4'-P-C4' energy: -85.620 flat angles P-C4'-P energy: -51.953 tors. eta vs tors. theta energy: -109.499 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: 10 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -960.615891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.615891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.615891 (E_RNA) where: Base-Base interactions energy: -668.268 where: short stacking energy: -269.491 Base-Backbone interact. energy: 2.754 local terms energy: -295.101880 where: bonds (distance) C4'-P energy: -63.325 bonds (distance) P-C4' energy: -61.268 flat angles C4'-P-C4' energy: -82.901 flat angles P-C4'-P energy: -52.118 tors. eta vs tors. theta energy: -35.491 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: 10, replica: 4 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -942.362807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.362807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.362807 (E_RNA) where: Base-Base interactions energy: -637.930 where: short stacking energy: -286.467 Base-Backbone interact. energy: -1.602 local terms energy: -302.830597 where: bonds (distance) C4'-P energy: -61.050 bonds (distance) P-C4' energy: -78.424 flat angles C4'-P-C4' energy: -77.149 flat angles P-C4'-P energy: -40.392 tors. eta vs tors. theta energy: -45.816 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: 6 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1880.029787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.029787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.029787 (E_RNA) where: Base-Base interactions energy: -1340.396 where: short stacking energy: -549.900 Base-Backbone interact. energy: 0.007 local terms energy: -539.641338 where: bonds (distance) C4'-P energy: -97.727 bonds (distance) P-C4' energy: -101.028 flat angles C4'-P-C4' energy: -110.150 flat angles P-C4'-P energy: -75.538 tors. eta vs tors. theta energy: -155.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1774.733099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.733099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.733099 (E_RNA) where: Base-Base interactions energy: -1258.483 where: short stacking energy: -521.676 Base-Backbone interact. energy: -0.259 local terms energy: -515.991209 where: bonds (distance) C4'-P energy: -95.209 bonds (distance) P-C4' energy: -97.694 flat angles C4'-P-C4' energy: -99.674 flat angles P-C4'-P energy: -75.153 tors. eta vs tors. theta energy: -148.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1707.142686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1707.142686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1707.142686 (E_RNA) where: Base-Base interactions energy: -1190.217 where: short stacking energy: -506.767 Base-Backbone interact. energy: -3.108 local terms energy: -513.817674 where: bonds (distance) C4'-P energy: -90.239 bonds (distance) P-C4' energy: -95.909 flat angles C4'-P-C4' energy: -103.730 flat angles P-C4'-P energy: -76.094 tors. eta vs tors. theta energy: -147.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1563.610566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1563.610566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1563.610566 (E_RNA) where: Base-Base interactions energy: -1072.656 where: short stacking energy: -470.090 Base-Backbone interact. energy: -2.410 local terms energy: -488.544887 where: bonds (distance) C4'-P energy: -103.019 bonds (distance) P-C4' energy: -80.987 flat angles C4'-P-C4' energy: -107.846 flat angles P-C4'-P energy: -60.614 tors. eta vs tors. theta energy: -136.079 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: 473 Temperature: 1.100000 Total energy: -1531.235033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1531.235033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1531.235033 (E_RNA) where: Base-Base interactions energy: -1114.120 where: short stacking energy: -450.834 Base-Backbone interact. energy: -2.495 local terms energy: -414.620554 where: bonds (distance) C4'-P energy: -73.807 bonds (distance) P-C4' energy: -80.617 flat angles C4'-P-C4' energy: -104.298 flat angles P-C4'-P energy: -46.783 tors. eta vs tors. theta energy: -109.114 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: 1 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -1431.752934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1431.752934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1431.752934 (E_RNA) where: Base-Base interactions energy: -975.256 where: short stacking energy: -415.002 Base-Backbone interact. energy: -1.690 local terms energy: -454.806889 where: bonds (distance) C4'-P energy: -91.841 bonds (distance) P-C4' energy: -85.150 flat angles C4'-P-C4' energy: -95.274 flat angles P-C4'-P energy: -67.997 tors. eta vs tors. theta energy: -114.545 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: 7, replica: 2 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -1333.599240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1333.599240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1333.599240 (E_RNA) where: Base-Base interactions energy: -930.601 where: short stacking energy: -408.961 Base-Backbone interact. energy: -0.578 local terms energy: -402.420544 where: bonds (distance) C4'-P energy: -75.410 bonds (distance) P-C4' energy: -94.910 flat angles C4'-P-C4' energy: -88.025 flat angles P-C4'-P energy: -58.643 tors. eta vs tors. theta energy: -85.433 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -1303.673766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1303.673766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1303.673766 (E_RNA) where: Base-Base interactions energy: -892.942 where: short stacking energy: -402.471 Base-Backbone interact. energy: 0.104 local terms energy: -410.835837 where: bonds (distance) C4'-P energy: -94.212 bonds (distance) P-C4' energy: -71.463 flat angles C4'-P-C4' energy: -87.301 flat angles P-C4'-P energy: -50.423 tors. eta vs tors. theta energy: -107.436 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: 473 Temperature: 1.300000 Total energy: -948.286917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.286917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.286917 (E_RNA) where: Base-Base interactions energy: -634.678 where: short stacking energy: -276.723 Base-Backbone interact. energy: 2.040 local terms energy: -315.648778 where: bonds (distance) C4'-P energy: -73.622 bonds (distance) P-C4' energy: -77.701 flat angles C4'-P-C4' energy: -72.942 flat angles P-C4'-P energy: -46.075 tors. eta vs tors. theta energy: -45.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -872.396724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.396724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.396724 (E_RNA) where: Base-Base interactions energy: -555.007 where: short stacking energy: -249.640 Base-Backbone interact. energy: 0.139 local terms energy: -317.529367 where: bonds (distance) C4'-P energy: -73.358 bonds (distance) P-C4' energy: -95.043 flat angles C4'-P-C4' energy: -55.223 flat angles P-C4'-P energy: -51.746 tors. eta vs tors. theta energy: -42.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -1879.084721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.084721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.084721 (E_RNA) where: Base-Base interactions energy: -1355.169 where: short stacking energy: -566.372 Base-Backbone interact. energy: 1.264 local terms energy: -525.179251 where: bonds (distance) C4'-P energy: -98.498 bonds (distance) P-C4' energy: -93.350 flat angles C4'-P-C4' energy: -110.405 flat angles P-C4'-P energy: -76.741 tors. eta vs tors. theta energy: -146.186 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: 474 Temperature: 0.950000 Total energy: -1770.131001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.131001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.131001 (E_RNA) where: Base-Base interactions energy: -1245.869 where: short stacking energy: -527.165 Base-Backbone interact. energy: -0.113 local terms energy: -524.149206 where: bonds (distance) C4'-P energy: -92.762 bonds (distance) P-C4' energy: -98.368 flat angles C4'-P-C4' energy: -104.809 flat angles P-C4'-P energy: -78.524 tors. eta vs tors. theta energy: -149.686 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: 3, replica: 8 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -1689.091397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1689.091397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1689.091397 (E_RNA) where: Base-Base interactions energy: -1172.199 where: short stacking energy: -520.284 Base-Backbone interact. energy: -1.540 local terms energy: -515.352329 where: bonds (distance) C4'-P energy: -90.486 bonds (distance) P-C4' energy: -88.260 flat angles C4'-P-C4' energy: -120.273 flat angles P-C4'-P energy: -62.126 tors. eta vs tors. theta energy: -154.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -1559.585472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1559.585472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1559.585472 (E_RNA) where: Base-Base interactions energy: -1080.825 where: short stacking energy: -468.330 Base-Backbone interact. energy: -2.430 local terms energy: -476.330490 where: bonds (distance) C4'-P energy: -82.987 bonds (distance) P-C4' energy: -89.535 flat angles C4'-P-C4' energy: -104.924 flat angles P-C4'-P energy: -67.045 tors. eta vs tors. theta energy: -131.840 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: 474 Temperature: 1.100000 Total energy: -1555.313508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.313508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.313508 (E_RNA) where: Base-Base interactions energy: -1092.887 where: short stacking energy: -455.837 Base-Backbone interact. energy: 0.743 local terms energy: -463.169427 where: bonds (distance) C4'-P energy: -79.897 bonds (distance) P-C4' energy: -90.685 flat angles C4'-P-C4' energy: -99.468 flat angles P-C4'-P energy: -69.396 tors. eta vs tors. theta energy: -123.723 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: 474 Temperature: 1.150000 Total energy: -1442.095377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1442.095377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1442.095377 (E_RNA) where: Base-Base interactions energy: -991.229 where: short stacking energy: -435.549 Base-Backbone interact. energy: -0.489 local terms energy: -450.377478 where: bonds (distance) C4'-P energy: -76.693 bonds (distance) P-C4' energy: -89.558 flat angles C4'-P-C4' energy: -106.943 flat angles P-C4'-P energy: -64.739 tors. eta vs tors. theta energy: -112.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -1336.789156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1336.789156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1336.789156 (E_RNA) where: Base-Base interactions energy: -915.823 where: short stacking energy: -391.458 Base-Backbone interact. energy: -2.352 local terms energy: -418.614474 where: bonds (distance) C4'-P energy: -80.302 bonds (distance) P-C4' energy: -95.203 flat angles C4'-P-C4' energy: -77.565 flat angles P-C4'-P energy: -68.044 tors. eta vs tors. theta energy: -97.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -1289.710318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1289.710318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1289.710318 (E_RNA) where: Base-Base interactions energy: -885.093 where: short stacking energy: -349.855 Base-Backbone interact. energy: -1.906 local terms energy: -402.710652 where: bonds (distance) C4'-P energy: -94.148 bonds (distance) P-C4' energy: -83.101 flat angles C4'-P-C4' energy: -79.372 flat angles P-C4'-P energy: -65.135 tors. eta vs tors. theta energy: -80.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -930.415469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.415469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.415469 (E_RNA) where: Base-Base interactions energy: -603.004 where: short stacking energy: -285.316 Base-Backbone interact. energy: -0.175 local terms energy: -327.236200 where: bonds (distance) C4'-P energy: -85.193 bonds (distance) P-C4' energy: -90.443 flat angles C4'-P-C4' energy: -72.000 flat angles P-C4'-P energy: -43.146 tors. eta vs tors. theta energy: -36.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -943.929205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.929205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.929205 (E_RNA) where: Base-Base interactions energy: -604.340 where: short stacking energy: -287.288 Base-Backbone interact. energy: -1.878 local terms energy: -337.711596 where: bonds (distance) C4'-P energy: -74.777 bonds (distance) P-C4' energy: -78.144 flat angles C4'-P-C4' energy: -80.618 flat angles P-C4'-P energy: -45.049 tors. eta vs tors. theta energy: -59.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -1881.536895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1881.536895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1881.536895 (E_RNA) where: Base-Base interactions energy: -1337.413 where: short stacking energy: -560.680 Base-Backbone interact. energy: -1.569 local terms energy: -542.555197 where: bonds (distance) C4'-P energy: -109.305 bonds (distance) P-C4' energy: -93.269 flat angles C4'-P-C4' energy: -111.043 flat angles P-C4'-P energy: -73.253 tors. eta vs tors. theta energy: -155.685 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: 5 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -1776.375772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1776.375772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1776.375772 (E_RNA) where: Base-Base interactions energy: -1240.606 where: short stacking energy: -529.724 Base-Backbone interact. energy: -2.555 local terms energy: -533.215497 where: bonds (distance) C4'-P energy: -85.601 bonds (distance) P-C4' energy: -100.546 flat angles C4'-P-C4' energy: -111.229 flat angles P-C4'-P energy: -83.821 tors. eta vs tors. theta energy: -152.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -1687.920046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1687.920046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1687.920046 (E_RNA) where: Base-Base interactions energy: -1193.068 where: short stacking energy: -519.807 Base-Backbone interact. energy: 3.374 local terms energy: -498.226015 where: bonds (distance) C4'-P energy: -80.960 bonds (distance) P-C4' energy: -101.240 flat angles C4'-P-C4' energy: -102.682 flat angles P-C4'-P energy: -62.204 tors. eta vs tors. theta energy: -151.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -1623.063950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1623.063950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1623.063950 (E_RNA) where: Base-Base interactions energy: -1148.458 where: short stacking energy: -454.841 Base-Backbone interact. energy: 1.401 local terms energy: -476.007067 where: bonds (distance) C4'-P energy: -88.906 bonds (distance) P-C4' energy: -88.258 flat angles C4'-P-C4' energy: -103.303 flat angles P-C4'-P energy: -70.859 tors. eta vs tors. theta energy: -124.681 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: 3 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -1509.881282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1509.881282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1509.881282 (E_RNA) where: Base-Base interactions energy: -1028.820 where: short stacking energy: -440.167 Base-Backbone interact. energy: 3.961 local terms energy: -485.022664 where: bonds (distance) C4'-P energy: -101.502 bonds (distance) P-C4' energy: -92.081 flat angles C4'-P-C4' energy: -103.996 flat angles P-C4'-P energy: -66.401 tors. eta vs tors. theta energy: -121.042 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: 475 Temperature: 1.150000 Total energy: -1403.897138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1403.897138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1403.897138 (E_RNA) where: Base-Base interactions energy: -947.911 where: short stacking energy: -400.834 Base-Backbone interact. energy: -1.355 local terms energy: -454.631156 where: bonds (distance) C4'-P energy: -95.717 bonds (distance) P-C4' energy: -102.612 flat angles C4'-P-C4' energy: -88.702 flat angles P-C4'-P energy: -62.521 tors. eta vs tors. theta energy: -105.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 475 Temperature: 1.200000 Total energy: -1296.314433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.314433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.314433 (E_RNA) where: Base-Base interactions energy: -875.421 where: short stacking energy: -400.372 Base-Backbone interact. energy: 2.461 local terms energy: -423.355055 where: bonds (distance) C4'-P energy: -91.342 bonds (distance) P-C4' energy: -82.672 flat angles C4'-P-C4' energy: -95.596 flat angles P-C4'-P energy: -70.125 tors. eta vs tors. theta energy: -83.619 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -1294.166184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.166184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.166184 (E_RNA) where: Base-Base interactions energy: -904.945 where: short stacking energy: -378.074 Base-Backbone interact. energy: 5.204 local terms energy: -394.425139 where: bonds (distance) C4'-P energy: -82.542 bonds (distance) P-C4' energy: -75.942 flat angles C4'-P-C4' energy: -85.390 flat angles P-C4'-P energy: -57.277 tors. eta vs tors. theta energy: -93.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -905.862214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.862214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.862214 (E_RNA) where: Base-Base interactions energy: -589.385 where: short stacking energy: -285.511 Base-Backbone interact. energy: 3.579 local terms energy: -320.055835 where: bonds (distance) C4'-P energy: -81.378 bonds (distance) P-C4' energy: -76.437 flat angles C4'-P-C4' energy: -78.107 flat angles P-C4'-P energy: -44.172 tors. eta vs tors. theta energy: -39.963 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: 10, replica: 4 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -928.849224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.849224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.849224 (E_RNA) where: Base-Base interactions energy: -610.718 where: short stacking energy: -270.269 Base-Backbone interact. energy: -2.163 local terms energy: -315.968765 where: bonds (distance) C4'-P energy: -69.610 bonds (distance) P-C4' energy: -78.014 flat angles C4'-P-C4' energy: -78.586 flat angles P-C4'-P energy: -46.424 tors. eta vs tors. theta energy: -43.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -1870.419008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1870.419008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1870.419008 (E_RNA) where: Base-Base interactions energy: -1339.148 where: short stacking energy: -560.567 Base-Backbone interact. energy: -0.065 local terms energy: -531.205804 where: bonds (distance) C4'-P energy: -86.303 bonds (distance) P-C4' energy: -97.895 flat angles C4'-P-C4' energy: -112.057 flat angles P-C4'-P energy: -80.644 tors. eta vs tors. theta energy: -154.307 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: 5 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -1789.213942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1789.213942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1789.213942 (E_RNA) where: Base-Base interactions energy: -1275.739 where: short stacking energy: -526.907 Base-Backbone interact. energy: -2.071 local terms energy: -511.404121 where: bonds (distance) C4'-P energy: -102.597 bonds (distance) P-C4' energy: -86.312 flat angles C4'-P-C4' energy: -109.597 flat angles P-C4'-P energy: -64.152 tors. eta vs tors. theta energy: -148.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -1683.249933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1683.249933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1683.249933 (E_RNA) where: Base-Base interactions energy: -1167.057 where: short stacking energy: -513.395 Base-Backbone interact. energy: -2.046 local terms energy: -514.146384 where: bonds (distance) C4'-P energy: -91.494 bonds (distance) P-C4' energy: -87.568 flat angles C4'-P-C4' energy: -110.646 flat angles P-C4'-P energy: -77.158 tors. eta vs tors. theta energy: -147.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -1613.953837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1613.953837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1613.953837 (E_RNA) where: Base-Base interactions energy: -1119.926 where: short stacking energy: -465.899 Base-Backbone interact. energy: -1.540 local terms energy: -492.488328 where: bonds (distance) C4'-P energy: -91.230 bonds (distance) P-C4' energy: -95.018 flat angles C4'-P-C4' energy: -108.405 flat angles P-C4'-P energy: -71.634 tors. eta vs tors. theta energy: -126.201 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: 3 ===================================== Write number: 476 Temperature: 1.100000 Total energy: -1511.478100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1511.478100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1511.478100 (E_RNA) where: Base-Base interactions energy: -1043.740 where: short stacking energy: -462.414 Base-Backbone interact. energy: -1.579 local terms energy: -466.158441 where: bonds (distance) C4'-P energy: -87.947 bonds (distance) P-C4' energy: -88.786 flat angles C4'-P-C4' energy: -101.241 flat angles P-C4'-P energy: -67.972 tors. eta vs tors. theta energy: -120.212 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: 1 ===================================== Write number: 476 Temperature: 1.150000 Total energy: -1387.998938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.998938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.998938 (E_RNA) where: Base-Base interactions energy: -936.312 where: short stacking energy: -407.140 Base-Backbone interact. energy: -1.912 local terms energy: -449.775186 where: bonds (distance) C4'-P energy: -77.894 bonds (distance) P-C4' energy: -98.046 flat angles C4'-P-C4' energy: -102.248 flat angles P-C4'-P energy: -58.939 tors. eta vs tors. theta energy: -112.648 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: 9 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -1306.535043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1306.535043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1306.535043 (E_RNA) where: Base-Base interactions energy: -898.531 where: short stacking energy: -410.324 Base-Backbone interact. energy: 2.810 local terms energy: -410.814019 where: bonds (distance) C4'-P energy: -81.210 bonds (distance) P-C4' energy: -86.937 flat angles C4'-P-C4' energy: -83.316 flat angles P-C4'-P energy: -65.844 tors. eta vs tors. theta energy: -93.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -1297.896315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1297.896315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1297.896315 (E_RNA) where: Base-Base interactions energy: -900.572 where: short stacking energy: -394.017 Base-Backbone interact. energy: 0.798 local terms energy: -398.122351 where: bonds (distance) C4'-P energy: -84.094 bonds (distance) P-C4' energy: -81.823 flat angles C4'-P-C4' energy: -86.838 flat angles P-C4'-P energy: -54.515 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: 9, replica: 4 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -944.274150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.274150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.274150 (E_RNA) where: Base-Base interactions energy: -570.689 where: short stacking energy: -275.475 Base-Backbone interact. energy: -0.679 local terms energy: -372.906778 where: bonds (distance) C4'-P energy: -93.458 bonds (distance) P-C4' energy: -89.965 flat angles C4'-P-C4' energy: -71.288 flat angles P-C4'-P energy: -55.618 tors. eta vs tors. theta energy: -62.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -919.512592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.512592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.512592 (E_RNA) where: Base-Base interactions energy: -599.613 where: short stacking energy: -257.486 Base-Backbone interact. energy: -0.588 local terms energy: -319.311620 where: bonds (distance) C4'-P energy: -70.791 bonds (distance) P-C4' energy: -82.736 flat angles C4'-P-C4' energy: -74.284 flat angles P-C4'-P energy: -60.224 tors. eta vs tors. theta energy: -31.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -1886.638661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.638661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.638661 (E_RNA) where: Base-Base interactions energy: -1367.445 where: short stacking energy: -569.964 Base-Backbone interact. energy: 0.305 local terms energy: -519.498751 where: bonds (distance) C4'-P energy: -87.549 bonds (distance) P-C4' energy: -97.601 flat angles C4'-P-C4' energy: -107.711 flat angles P-C4'-P energy: -68.350 tors. eta vs tors. theta energy: -158.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -1781.683630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.683630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.683630 (E_RNA) where: Base-Base interactions energy: -1269.609 where: short stacking energy: -546.889 Base-Backbone interact. energy: 0.202 local terms energy: -512.276206 where: bonds (distance) C4'-P energy: -89.564 bonds (distance) P-C4' energy: -96.568 flat angles C4'-P-C4' energy: -105.426 flat angles P-C4'-P energy: -73.459 tors. eta vs tors. theta energy: -147.259 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: 3, replica: 8 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -1708.890666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1708.890666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1708.890666 (E_RNA) where: Base-Base interactions energy: -1185.352 where: short stacking energy: -500.059 Base-Backbone interact. energy: -1.896 local terms energy: -521.643226 where: bonds (distance) C4'-P energy: -89.500 bonds (distance) P-C4' energy: -110.103 flat angles C4'-P-C4' energy: -103.900 flat angles P-C4'-P energy: -72.046 tors. eta vs tors. theta energy: -146.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -1648.774626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1648.774626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1648.774626 (E_RNA) where: Base-Base interactions energy: -1141.528 where: short stacking energy: -468.482 Base-Backbone interact. energy: -1.847 local terms energy: -505.399193 where: bonds (distance) C4'-P energy: -88.319 bonds (distance) P-C4' energy: -100.883 flat angles C4'-P-C4' energy: -96.697 flat angles P-C4'-P energy: -76.051 tors. eta vs tors. theta energy: -143.448 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: 3 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -1497.340763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.340763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.340763 (E_RNA) where: Base-Base interactions energy: -1026.323 where: short stacking energy: -451.052 Base-Backbone interact. energy: 0.964 local terms energy: -471.981365 where: bonds (distance) C4'-P energy: -75.677 bonds (distance) P-C4' energy: -86.541 flat angles C4'-P-C4' energy: -111.052 flat angles P-C4'-P energy: -63.390 tors. eta vs tors. theta energy: -135.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -1400.896174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.896174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.896174 (E_RNA) where: Base-Base interactions energy: -960.333 where: short stacking energy: -404.635 Base-Backbone interact. energy: -1.332 local terms energy: -439.231734 where: bonds (distance) C4'-P energy: -97.634 bonds (distance) P-C4' energy: -90.053 flat angles C4'-P-C4' energy: -93.966 flat angles P-C4'-P energy: -56.666 tors. eta vs tors. theta energy: -100.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -1276.082909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1276.082909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1276.082909 (E_RNA) where: Base-Base interactions energy: -863.838 where: short stacking energy: -408.679 Base-Backbone interact. energy: -2.195 local terms energy: -410.050293 where: bonds (distance) C4'-P energy: -79.783 bonds (distance) P-C4' energy: -82.414 flat angles C4'-P-C4' energy: -89.859 flat angles P-C4'-P energy: -52.178 tors. eta vs tors. theta energy: -105.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -1216.162083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1216.162083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1216.162083 (E_RNA) where: Base-Base interactions energy: -831.005 where: short stacking energy: -344.137 Base-Backbone interact. energy: -0.451 local terms energy: -384.706031 where: bonds (distance) C4'-P energy: -79.200 bonds (distance) P-C4' energy: -80.760 flat angles C4'-P-C4' energy: -84.309 flat angles P-C4'-P energy: -56.026 tors. eta vs tors. theta energy: -84.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -904.055280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.055280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.055280 (E_RNA) where: Base-Base interactions energy: -595.618 where: short stacking energy: -273.706 Base-Backbone interact. energy: -1.963 local terms energy: -306.473424 where: bonds (distance) C4'-P energy: -79.119 bonds (distance) P-C4' energy: -74.340 flat angles C4'-P-C4' energy: -67.827 flat angles P-C4'-P energy: -28.325 tors. eta vs tors. theta energy: -56.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -859.833863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.833863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.833863 (E_RNA) where: Base-Base interactions energy: -548.200 where: short stacking energy: -215.814 Base-Backbone interact. energy: -0.005 local terms energy: -311.628967 where: bonds (distance) C4'-P energy: -74.156 bonds (distance) P-C4' energy: -82.268 flat angles C4'-P-C4' energy: -83.967 flat angles P-C4'-P energy: -41.247 tors. eta vs tors. theta energy: -29.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -1864.451825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1864.451825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1864.451825 (E_RNA) where: Base-Base interactions energy: -1322.630 where: short stacking energy: -560.624 Base-Backbone interact. energy: 2.860 local terms energy: -544.681094 where: bonds (distance) C4'-P energy: -88.169 bonds (distance) P-C4' energy: -93.713 flat angles C4'-P-C4' energy: -118.614 flat angles P-C4'-P energy: -86.336 tors. eta vs tors. theta energy: -157.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -1764.164415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.164415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.164415 (E_RNA) where: Base-Base interactions energy: -1250.549 where: short stacking energy: -519.982 Base-Backbone interact. energy: -2.656 local terms energy: -510.959345 where: bonds (distance) C4'-P energy: -83.350 bonds (distance) P-C4' energy: -89.094 flat angles C4'-P-C4' energy: -116.356 flat angles P-C4'-P energy: -81.565 tors. eta vs tors. theta energy: -140.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -1719.594648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1719.594648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1719.594648 (E_RNA) where: Base-Base interactions energy: -1199.849 where: short stacking energy: -508.629 Base-Backbone interact. energy: -0.742 local terms energy: -519.003932 where: bonds (distance) C4'-P energy: -102.015 bonds (distance) P-C4' energy: -84.570 flat angles C4'-P-C4' energy: -109.679 flat angles P-C4'-P energy: -70.960 tors. eta vs tors. theta energy: -151.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -1622.704256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1622.704256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1622.704256 (E_RNA) where: Base-Base interactions energy: -1135.911 where: short stacking energy: -480.161 Base-Backbone interact. energy: -2.130 local terms energy: -484.663315 where: bonds (distance) C4'-P energy: -94.611 bonds (distance) P-C4' energy: -84.320 flat angles C4'-P-C4' energy: -108.152 flat angles P-C4'-P energy: -64.076 tors. eta vs tors. theta energy: -133.504 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: 3 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -1506.910107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1506.910107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1506.910107 (E_RNA) where: Base-Base interactions energy: -1036.149 where: short stacking energy: -453.905 Base-Backbone interact. energy: -5.305 local terms energy: -465.455972 where: bonds (distance) C4'-P energy: -79.221 bonds (distance) P-C4' energy: -102.240 flat angles C4'-P-C4' energy: -104.741 flat angles P-C4'-P energy: -55.150 tors. eta vs tors. theta energy: -124.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -1401.896821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.896821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.896821 (E_RNA) where: Base-Base interactions energy: -933.351 where: short stacking energy: -377.157 Base-Backbone interact. energy: 0.423 local terms energy: -468.968487 where: bonds (distance) C4'-P energy: -93.965 bonds (distance) P-C4' energy: -92.587 flat angles C4'-P-C4' energy: -104.919 flat angles P-C4'-P energy: -74.275 tors. eta vs tors. theta energy: -103.221 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: 9 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -1286.854141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1286.854141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1286.854141 (E_RNA) where: Base-Base interactions energy: -859.474 where: short stacking energy: -392.959 Base-Backbone interact. energy: 0.803 local terms energy: -428.183524 where: bonds (distance) C4'-P energy: -81.249 bonds (distance) P-C4' energy: -84.953 flat angles C4'-P-C4' energy: -102.801 flat angles P-C4'-P energy: -61.916 tors. eta vs tors. theta energy: -97.264 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: 2 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -1219.122137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.122137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.122137 (E_RNA) where: Base-Base interactions energy: -816.209 where: short stacking energy: -343.520 Base-Backbone interact. energy: -0.057 local terms energy: -402.856850 where: bonds (distance) C4'-P energy: -85.994 bonds (distance) P-C4' energy: -71.321 flat angles C4'-P-C4' energy: -88.440 flat angles P-C4'-P energy: -65.080 tors. eta vs tors. theta energy: -92.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -887.653618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.653618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.653618 (E_RNA) where: Base-Base interactions energy: -559.445 where: short stacking energy: -253.243 Base-Backbone interact. energy: 4.454 local terms energy: -332.663045 where: bonds (distance) C4'-P energy: -66.513 bonds (distance) P-C4' energy: -80.495 flat angles C4'-P-C4' energy: -82.307 flat angles P-C4'-P energy: -49.638 tors. eta vs tors. theta energy: -53.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -793.934557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.934557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.934557 (E_RNA) where: Base-Base interactions energy: -500.908 where: short stacking energy: -218.962 Base-Backbone interact. energy: 5.476 local terms energy: -298.502321 where: bonds (distance) C4'-P energy: -91.827 bonds (distance) P-C4' energy: -79.121 flat angles C4'-P-C4' energy: -68.615 flat angles P-C4'-P energy: -46.854 tors. eta vs tors. theta energy: -12.085 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: 6 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -1891.831807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1891.831807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1891.831807 (E_RNA) where: Base-Base interactions energy: -1358.778 where: short stacking energy: -571.828 Base-Backbone interact. energy: 8.170 local terms energy: -541.224435 where: bonds (distance) C4'-P energy: -99.684 bonds (distance) P-C4' energy: -99.801 flat angles C4'-P-C4' energy: -110.388 flat angles P-C4'-P energy: -78.624 tors. eta vs tors. theta energy: -152.727 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: 8 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -1750.952417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1750.952417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1750.952417 (E_RNA) where: Base-Base interactions energy: -1214.716 where: short stacking energy: -534.932 Base-Backbone interact. energy: -1.739 local terms energy: -534.497252 where: bonds (distance) C4'-P energy: -96.500 bonds (distance) P-C4' energy: -93.582 flat angles C4'-P-C4' energy: -116.020 flat angles P-C4'-P energy: -73.213 tors. eta vs tors. theta energy: -155.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -1774.160162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.160162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.160162 (E_RNA) where: Base-Base interactions energy: -1228.464 where: short stacking energy: -507.923 Base-Backbone interact. energy: -2.849 local terms energy: -542.846236 where: bonds (distance) C4'-P energy: -103.953 bonds (distance) P-C4' energy: -104.512 flat angles C4'-P-C4' energy: -108.433 flat angles P-C4'-P energy: -82.615 tors. eta vs tors. theta energy: -143.334 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: 7 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -1583.899229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.899229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.899229 (E_RNA) where: Base-Base interactions energy: -1140.872 where: short stacking energy: -471.357 Base-Backbone interact. energy: -2.058 local terms energy: -440.969485 where: bonds (distance) C4'-P energy: -59.382 bonds (distance) P-C4' energy: -86.249 flat angles C4'-P-C4' energy: -105.613 flat angles P-C4'-P energy: -58.189 tors. eta vs tors. theta energy: -131.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -1524.536643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1524.536643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1524.536643 (E_RNA) where: Base-Base interactions energy: -1078.965 where: short stacking energy: -474.669 Base-Backbone interact. energy: 0.473 local terms energy: -446.045378 where: bonds (distance) C4'-P energy: -90.807 bonds (distance) P-C4' energy: -80.860 flat angles C4'-P-C4' energy: -86.770 flat angles P-C4'-P energy: -66.526 tors. eta vs tors. theta energy: -121.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -1400.837789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.837789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.837789 (E_RNA) where: Base-Base interactions energy: -979.889 where: short stacking energy: -416.629 Base-Backbone interact. energy: 0.949 local terms energy: -421.897996 where: bonds (distance) C4'-P energy: -74.346 bonds (distance) P-C4' energy: -81.241 flat angles C4'-P-C4' energy: -105.653 flat angles P-C4'-P energy: -62.170 tors. eta vs tors. theta energy: -98.488 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: 9 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -1285.544551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1285.544551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1285.544551 (E_RNA) where: Base-Base interactions energy: -872.127 where: short stacking energy: -395.466 Base-Backbone interact. energy: -1.479 local terms energy: -411.939231 where: bonds (distance) C4'-P energy: -78.019 bonds (distance) P-C4' energy: -66.219 flat angles C4'-P-C4' energy: -96.573 flat angles P-C4'-P energy: -66.198 tors. eta vs tors. theta energy: -104.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -1244.231716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.231716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.231716 (E_RNA) where: Base-Base interactions energy: -855.493 where: short stacking energy: -343.927 Base-Backbone interact. energy: -1.815 local terms energy: -386.923826 where: bonds (distance) C4'-P energy: -81.533 bonds (distance) P-C4' energy: -70.845 flat angles C4'-P-C4' energy: -85.644 flat angles P-C4'-P energy: -61.508 tors. eta vs tors. theta energy: -87.394 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: 4 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -903.584358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.584358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.584358 (E_RNA) where: Base-Base interactions energy: -562.905 where: short stacking energy: -269.243 Base-Backbone interact. energy: 2.257 local terms energy: -342.936733 where: bonds (distance) C4'-P energy: -88.950 bonds (distance) P-C4' energy: -86.459 flat angles C4'-P-C4' energy: -70.108 flat angles P-C4'-P energy: -46.260 tors. eta vs tors. theta energy: -51.159 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: 479 Temperature: 1.350000 Total energy: -828.514031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.514031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.514031 (E_RNA) where: Base-Base interactions energy: -501.493 where: short stacking energy: -239.303 Base-Backbone interact. energy: -2.290 local terms energy: -324.730719 where: bonds (distance) C4'-P energy: -77.459 bonds (distance) P-C4' energy: -69.056 flat angles C4'-P-C4' energy: -78.620 flat angles P-C4'-P energy: -51.172 tors. eta vs tors. theta energy: -48.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -1875.214239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.214239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.214239 (E_RNA) where: Base-Base interactions energy: -1330.810 where: short stacking energy: -551.024 Base-Backbone interact. energy: -3.486 local terms energy: -540.918403 where: bonds (distance) C4'-P energy: -98.724 bonds (distance) P-C4' energy: -104.508 flat angles C4'-P-C4' energy: -112.447 flat angles P-C4'-P energy: -70.384 tors. eta vs tors. theta energy: -154.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -1739.684785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.684785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.684785 (E_RNA) where: Base-Base interactions energy: -1211.342 where: short stacking energy: -519.756 Base-Backbone interact. energy: -1.705 local terms energy: -526.637882 where: bonds (distance) C4'-P energy: -97.103 bonds (distance) P-C4' energy: -97.690 flat angles C4'-P-C4' energy: -107.383 flat angles P-C4'-P energy: -73.884 tors. eta vs tors. theta energy: -150.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -1729.923001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1729.923001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1729.923001 (E_RNA) where: Base-Base interactions energy: -1219.725 where: short stacking energy: -502.082 Base-Backbone interact. energy: -1.342 local terms energy: -508.856649 where: bonds (distance) C4'-P energy: -83.704 bonds (distance) P-C4' energy: -104.669 flat angles C4'-P-C4' energy: -109.023 flat angles P-C4'-P energy: -65.872 tors. eta vs tors. theta energy: -145.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -1583.337789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1583.337789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1583.337789 (E_RNA) where: Base-Base interactions energy: -1125.934 where: short stacking energy: -465.562 Base-Backbone interact. energy: -2.867 local terms energy: -454.536176 where: bonds (distance) C4'-P energy: -82.514 bonds (distance) P-C4' energy: -87.451 flat angles C4'-P-C4' energy: -96.623 flat angles P-C4'-P energy: -66.579 tors. eta vs tors. theta energy: -121.369 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: 3 ===================================== Write number: 480 Temperature: 1.100000 Total energy: -1516.903998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1516.903998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1516.903998 (E_RNA) where: Base-Base interactions energy: -1058.773 where: short stacking energy: -460.312 Base-Backbone interact. energy: -2.373 local terms energy: -455.757951 where: bonds (distance) C4'-P energy: -90.468 bonds (distance) P-C4' energy: -80.754 flat angles C4'-P-C4' energy: -100.798 flat angles P-C4'-P energy: -60.845 tors. eta vs tors. theta energy: -122.893 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: 480 Temperature: 1.150000 Total energy: -1462.838621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1462.838621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1462.838621 (E_RNA) where: Base-Base interactions energy: -1007.348 where: short stacking energy: -453.523 Base-Backbone interact. energy: -3.615 local terms energy: -451.876027 where: bonds (distance) C4'-P energy: -82.703 bonds (distance) P-C4' energy: -79.579 flat angles C4'-P-C4' energy: -96.565 flat angles P-C4'-P energy: -68.731 tors. eta vs tors. theta energy: -124.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -1295.171942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1295.171942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1295.171942 (E_RNA) where: Base-Base interactions energy: -903.873 where: short stacking energy: -392.392 Base-Backbone interact. energy: 1.250 local terms energy: -392.549599 where: bonds (distance) C4'-P energy: -83.706 bonds (distance) P-C4' energy: -85.117 flat angles C4'-P-C4' energy: -87.649 flat angles P-C4'-P energy: -57.655 tors. eta vs tors. theta energy: -78.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 480 Temperature: 1.250000 Total energy: -1221.007935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.007935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.007935 (E_RNA) where: Base-Base interactions energy: -822.743 where: short stacking energy: -363.199 Base-Backbone interact. energy: -2.234 local terms energy: -396.031181 where: bonds (distance) C4'-P energy: -72.402 bonds (distance) P-C4' energy: -92.706 flat angles C4'-P-C4' energy: -90.323 flat angles P-C4'-P energy: -44.954 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: 9, replica: 4 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -907.154273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.154273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.154273 (E_RNA) where: Base-Base interactions energy: -574.209 where: short stacking energy: -230.449 Base-Backbone interact. energy: 0.183 local terms energy: -333.127558 where: bonds (distance) C4'-P energy: -86.444 bonds (distance) P-C4' energy: -93.608 flat angles C4'-P-C4' energy: -76.657 flat angles P-C4'-P energy: -43.580 tors. eta vs tors. theta energy: -32.839 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: 480 Temperature: 1.350000 Total energy: -842.703657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.703657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.703657 (E_RNA) where: Base-Base interactions energy: -526.922 where: short stacking energy: -238.024 Base-Backbone interact. energy: 0.666 local terms energy: -316.447407 where: bonds (distance) C4'-P energy: -81.944 bonds (distance) P-C4' energy: -67.543 flat angles C4'-P-C4' energy: -80.066 flat angles P-C4'-P energy: -48.446 tors. eta vs tors. theta energy: -38.449 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: 6 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -1878.018666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1878.018666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1878.018666 (E_RNA) where: Base-Base interactions energy: -1333.428 where: short stacking energy: -538.842 Base-Backbone interact. energy: 2.998 local terms energy: -547.588922 where: bonds (distance) C4'-P energy: -92.834 bonds (distance) P-C4' energy: -104.538 flat angles C4'-P-C4' energy: -120.961 flat angles P-C4'-P energy: -79.154 tors. eta vs tors. theta energy: -150.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 481 Temperature: 0.950000 Total energy: -1754.018119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1754.018119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1754.018119 (E_RNA) where: Base-Base interactions energy: -1223.475 where: short stacking energy: -521.005 Base-Backbone interact. energy: -1.053 local terms energy: -529.489543 where: bonds (distance) C4'-P energy: -96.609 bonds (distance) P-C4' energy: -104.408 flat angles C4'-P-C4' energy: -110.167 flat angles P-C4'-P energy: -70.815 tors. eta vs tors. theta energy: -147.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -1746.165129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1746.165129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1746.165129 (E_RNA) where: Base-Base interactions energy: -1249.639 where: short stacking energy: -519.844 Base-Backbone interact. energy: -1.336 local terms energy: -495.190268 where: bonds (distance) C4'-P energy: -85.982 bonds (distance) P-C4' energy: -84.880 flat angles C4'-P-C4' energy: -110.823 flat angles P-C4'-P energy: -70.876 tors. eta vs tors. theta energy: -142.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -1587.797074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1587.797074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1587.797074 (E_RNA) where: Base-Base interactions energy: -1114.328 where: short stacking energy: -475.178 Base-Backbone interact. energy: -0.430 local terms energy: -473.038669 where: bonds (distance) C4'-P energy: -82.265 bonds (distance) P-C4' energy: -94.923 flat angles C4'-P-C4' energy: -100.174 flat angles P-C4'-P energy: -73.004 tors. eta vs tors. theta energy: -122.672 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: 3 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -1526.993970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1526.993970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1526.993970 (E_RNA) where: Base-Base interactions energy: -1041.358 where: short stacking energy: -429.960 Base-Backbone interact. energy: -2.137 local terms energy: -483.499620 where: bonds (distance) C4'-P energy: -91.308 bonds (distance) P-C4' energy: -80.325 flat angles C4'-P-C4' energy: -104.921 flat angles P-C4'-P energy: -85.717 tors. eta vs tors. theta energy: -121.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -1438.161054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1438.161054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1438.161054 (E_RNA) where: Base-Base interactions energy: -1008.097 where: short stacking energy: -426.092 Base-Backbone interact. energy: -0.447 local terms energy: -429.617440 where: bonds (distance) C4'-P energy: -75.496 bonds (distance) P-C4' energy: -82.637 flat angles C4'-P-C4' energy: -103.367 flat angles P-C4'-P energy: -55.624 tors. eta vs tors. theta energy: -112.494 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: 2 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -1314.138493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1314.138493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1314.138493 (E_RNA) where: Base-Base interactions energy: -923.782 where: short stacking energy: -424.646 Base-Backbone interact. energy: 0.754 local terms energy: -391.110381 where: bonds (distance) C4'-P energy: -66.931 bonds (distance) P-C4' energy: -70.965 flat angles C4'-P-C4' energy: -89.459 flat angles P-C4'-P energy: -57.684 tors. eta vs tors. theta energy: -106.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -1183.542832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.542832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.542832 (E_RNA) where: Base-Base interactions energy: -801.839 where: short stacking energy: -370.605 Base-Backbone interact. energy: -0.551 local terms energy: -381.153308 where: bonds (distance) C4'-P energy: -71.085 bonds (distance) P-C4' energy: -91.012 flat angles C4'-P-C4' energy: -82.559 flat angles P-C4'-P energy: -50.496 tors. eta vs tors. theta energy: -86.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -926.103760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.103760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.103760 (E_RNA) where: Base-Base interactions energy: -574.490 where: short stacking energy: -279.050 Base-Backbone interact. energy: -2.030 local terms energy: -349.583544 where: bonds (distance) C4'-P energy: -71.614 bonds (distance) P-C4' energy: -84.169 flat angles C4'-P-C4' energy: -82.432 flat angles P-C4'-P energy: -58.014 tors. eta vs tors. theta energy: -53.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -763.371096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.371096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.371096 (E_RNA) where: Base-Base interactions energy: -456.803 where: short stacking energy: -217.037 Base-Backbone interact. energy: 1.861 local terms energy: -308.428976 where: bonds (distance) C4'-P energy: -87.877 bonds (distance) P-C4' energy: -79.334 flat angles C4'-P-C4' energy: -64.985 flat angles P-C4'-P energy: -53.501 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: 6 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -1861.450685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1861.450685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1861.450685 (E_RNA) where: Base-Base interactions energy: -1330.467 where: short stacking energy: -560.234 Base-Backbone interact. energy: -1.988 local terms energy: -528.995767 where: bonds (distance) C4'-P energy: -90.390 bonds (distance) P-C4' energy: -101.275 flat angles C4'-P-C4' energy: -109.699 flat angles P-C4'-P energy: -77.695 tors. eta vs tors. theta energy: -149.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -1774.471352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.471352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.471352 (E_RNA) where: Base-Base interactions energy: -1233.385 where: short stacking energy: -524.206 Base-Backbone interact. energy: -1.591 local terms energy: -539.495669 where: bonds (distance) C4'-P energy: -102.239 bonds (distance) P-C4' energy: -95.699 flat angles C4'-P-C4' energy: -111.302 flat angles P-C4'-P energy: -77.567 tors. eta vs tors. theta energy: -152.688 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: 3, replica: 5 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -1747.347414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1747.347414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1747.347414 (E_RNA) where: Base-Base interactions energy: -1233.651 where: short stacking energy: -521.407 Base-Backbone interact. energy: 2.959 local terms energy: -516.656037 where: bonds (distance) C4'-P energy: -88.929 bonds (distance) P-C4' energy: -97.447 flat angles C4'-P-C4' energy: -112.258 flat angles P-C4'-P energy: -70.700 tors. eta vs tors. theta energy: -147.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -1620.353897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1620.353897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1620.353897 (E_RNA) where: Base-Base interactions energy: -1141.033 where: short stacking energy: -463.309 Base-Backbone interact. energy: -2.666 local terms energy: -476.655364 where: bonds (distance) C4'-P energy: -105.614 bonds (distance) P-C4' energy: -88.471 flat angles C4'-P-C4' energy: -108.332 flat angles P-C4'-P energy: -55.830 tors. eta vs tors. theta energy: -118.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -1574.082136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1574.082136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1574.082136 (E_RNA) where: Base-Base interactions energy: -1110.231 where: short stacking energy: -493.140 Base-Backbone interact. energy: -1.976 local terms energy: -461.874814 where: bonds (distance) C4'-P energy: -80.067 bonds (distance) P-C4' energy: -84.581 flat angles C4'-P-C4' energy: -94.096 flat angles P-C4'-P energy: -71.869 tors. eta vs tors. theta energy: -131.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -1387.573374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1387.573374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1387.573374 (E_RNA) where: Base-Base interactions energy: -942.192 where: short stacking energy: -421.166 Base-Backbone interact. energy: -2.706 local terms energy: -442.675795 where: bonds (distance) C4'-P energy: -76.208 bonds (distance) P-C4' energy: -92.790 flat angles C4'-P-C4' energy: -99.939 flat angles P-C4'-P energy: -65.450 tors. eta vs tors. theta energy: -108.289 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: 2 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -1302.973690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1302.973690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1302.973690 (E_RNA) where: Base-Base interactions energy: -914.616 where: short stacking energy: -389.186 Base-Backbone interact. energy: -1.605 local terms energy: -386.753328 where: bonds (distance) C4'-P energy: -67.814 bonds (distance) P-C4' energy: -82.687 flat angles C4'-P-C4' energy: -91.291 flat angles P-C4'-P energy: -62.207 tors. eta vs tors. theta energy: -82.755 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: 9 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -1115.639826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.639826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.639826 (E_RNA) where: Base-Base interactions energy: -732.529 where: short stacking energy: -345.655 Base-Backbone interact. energy: -0.439 local terms energy: -382.671828 where: bonds (distance) C4'-P energy: -80.026 bonds (distance) P-C4' energy: -90.511 flat angles C4'-P-C4' energy: -79.626 flat angles P-C4'-P energy: -45.956 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: 9, replica: 4 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -941.049836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.049836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.049836 (E_RNA) where: Base-Base interactions energy: -590.058 where: short stacking energy: -273.690 Base-Backbone interact. energy: -1.309 local terms energy: -349.682294 where: bonds (distance) C4'-P energy: -81.553 bonds (distance) P-C4' energy: -93.888 flat angles C4'-P-C4' energy: -82.942 flat angles P-C4'-P energy: -56.344 tors. eta vs tors. theta energy: -34.955 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: 482 Temperature: 1.350000 Total energy: -854.257506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.257506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.257506 (E_RNA) where: Base-Base interactions energy: -507.828 where: short stacking energy: -252.342 Base-Backbone interact. energy: -3.036 local terms energy: -343.393364 where: bonds (distance) C4'-P energy: -76.241 bonds (distance) P-C4' energy: -80.515 flat angles C4'-P-C4' energy: -80.976 flat angles P-C4'-P energy: -57.774 tors. eta vs tors. theta energy: -47.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -1892.411308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1892.411308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1892.411308 (E_RNA) where: Base-Base interactions energy: -1351.965 where: short stacking energy: -553.746 Base-Backbone interact. energy: -1.445 local terms energy: -539.001501 where: bonds (distance) C4'-P energy: -87.705 bonds (distance) P-C4' energy: -98.535 flat angles C4'-P-C4' energy: -111.727 flat angles P-C4'-P energy: -87.148 tors. eta vs tors. theta energy: -153.887 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: 8 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -1784.656962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1784.656962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1784.656962 (E_RNA) where: Base-Base interactions energy: -1231.042 where: short stacking energy: -519.697 Base-Backbone interact. energy: -1.793 local terms energy: -551.821785 where: bonds (distance) C4'-P energy: -88.455 bonds (distance) P-C4' energy: -95.910 flat angles C4'-P-C4' energy: -120.377 flat angles P-C4'-P energy: -86.184 tors. eta vs tors. theta energy: -160.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -1743.111534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1743.111534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1743.111534 (E_RNA) where: Base-Base interactions energy: -1224.038 where: short stacking energy: -515.351 Base-Backbone interact. energy: -2.985 local terms energy: -516.089051 where: bonds (distance) C4'-P energy: -81.427 bonds (distance) P-C4' energy: -98.309 flat angles C4'-P-C4' energy: -108.994 flat angles P-C4'-P energy: -81.564 tors. eta vs tors. theta energy: -145.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -1669.184716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1669.184716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1669.184716 (E_RNA) where: Base-Base interactions energy: -1188.344 where: short stacking energy: -501.357 Base-Backbone interact. energy: -0.110 local terms energy: -480.731131 where: bonds (distance) C4'-P energy: -80.330 bonds (distance) P-C4' energy: -88.001 flat angles C4'-P-C4' energy: -97.113 flat angles P-C4'-P energy: -73.878 tors. eta vs tors. theta energy: -141.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -1518.275729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1518.275729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1518.275729 (E_RNA) where: Base-Base interactions energy: -1037.281 where: short stacking energy: -442.347 Base-Backbone interact. energy: -1.731 local terms energy: -479.263583 where: bonds (distance) C4'-P energy: -90.467 bonds (distance) P-C4' energy: -98.842 flat angles C4'-P-C4' energy: -100.063 flat angles P-C4'-P energy: -65.403 tors. eta vs tors. theta energy: -124.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -1376.336269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1376.336269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1376.336269 (E_RNA) where: Base-Base interactions energy: -937.577 where: short stacking energy: -431.500 Base-Backbone interact. energy: 0.587 local terms energy: -439.346110 where: bonds (distance) C4'-P energy: -84.631 bonds (distance) P-C4' energy: -84.405 flat angles C4'-P-C4' energy: -97.758 flat angles P-C4'-P energy: -50.843 tors. eta vs tors. theta energy: -121.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -1243.138210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1243.138210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1243.138210 (E_RNA) where: Base-Base interactions energy: -854.601 where: short stacking energy: -373.545 Base-Backbone interact. energy: -1.038 local terms energy: -387.499762 where: bonds (distance) C4'-P energy: -75.577 bonds (distance) P-C4' energy: -91.506 flat angles C4'-P-C4' energy: -86.579 flat angles P-C4'-P energy: -50.143 tors. eta vs tors. theta energy: -83.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -1159.959062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.959062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.959062 (E_RNA) where: Base-Base interactions energy: -789.932 where: short stacking energy: -334.349 Base-Backbone interact. energy: -0.016 local terms energy: -370.010944 where: bonds (distance) C4'-P energy: -89.045 bonds (distance) P-C4' energy: -86.472 flat angles C4'-P-C4' energy: -80.855 flat angles P-C4'-P energy: -38.253 tors. eta vs tors. theta energy: -75.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -915.624495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.624495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.624495 (E_RNA) where: Base-Base interactions energy: -599.479 where: short stacking energy: -291.812 Base-Backbone interact. energy: -2.131 local terms energy: -314.014307 where: bonds (distance) C4'-P energy: -77.940 bonds (distance) P-C4' energy: -71.480 flat angles C4'-P-C4' energy: -77.619 flat angles P-C4'-P energy: -46.867 tors. eta vs tors. theta energy: -40.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -820.955258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.955258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.955258 (E_RNA) where: Base-Base interactions energy: -503.838 where: short stacking energy: -232.154 Base-Backbone interact. energy: 0.638 local terms energy: -317.755892 where: bonds (distance) C4'-P energy: -68.323 bonds (distance) P-C4' energy: -86.287 flat angles C4'-P-C4' energy: -83.852 flat angles P-C4'-P energy: -39.486 tors. eta vs tors. theta energy: -39.808 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: 6 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -1880.702232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1880.702232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1880.702232 (E_RNA) where: Base-Base interactions energy: -1344.621 where: short stacking energy: -559.462 Base-Backbone interact. energy: -1.227 local terms energy: -534.855082 where: bonds (distance) C4'-P energy: -89.585 bonds (distance) P-C4' energy: -102.632 flat angles C4'-P-C4' energy: -107.532 flat angles P-C4'-P energy: -79.842 tors. eta vs tors. theta energy: -155.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -1759.601523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1759.601523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1759.601523 (E_RNA) where: Base-Base interactions energy: -1224.094 where: short stacking energy: -519.991 Base-Backbone interact. energy: -2.636 local terms energy: -532.871558 where: bonds (distance) C4'-P energy: -95.962 bonds (distance) P-C4' energy: -95.891 flat angles C4'-P-C4' energy: -112.589 flat angles P-C4'-P energy: -68.334 tors. eta vs tors. theta energy: -160.095 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: 5 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -1752.265686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.265686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.265686 (E_RNA) where: Base-Base interactions energy: -1241.159 where: short stacking energy: -520.900 Base-Backbone interact. energy: -1.521 local terms energy: -509.585486 where: bonds (distance) C4'-P energy: -75.430 bonds (distance) P-C4' energy: -97.356 flat angles C4'-P-C4' energy: -112.951 flat angles P-C4'-P energy: -68.458 tors. eta vs tors. theta energy: -155.389 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: 4, replica: 7 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -1637.107638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.107638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.107638 (E_RNA) where: Base-Base interactions energy: -1156.431 where: short stacking energy: -468.760 Base-Backbone interact. energy: 2.785 local terms energy: -483.461694 where: bonds (distance) C4'-P energy: -97.482 bonds (distance) P-C4' energy: -92.736 flat angles C4'-P-C4' energy: -101.214 flat angles P-C4'-P energy: -57.274 tors. eta vs tors. theta energy: -134.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -1551.154495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1551.154495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1551.154495 (E_RNA) where: Base-Base interactions energy: -1088.099 where: short stacking energy: -481.178 Base-Backbone interact. energy: -1.349 local terms energy: -461.707073 where: bonds (distance) C4'-P energy: -87.192 bonds (distance) P-C4' energy: -81.332 flat angles C4'-P-C4' energy: -102.725 flat angles P-C4'-P energy: -59.405 tors. eta vs tors. theta energy: -131.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -1364.711435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1364.711435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1364.711435 (E_RNA) where: Base-Base interactions energy: -920.832 where: short stacking energy: -404.704 Base-Backbone interact. energy: -2.399 local terms energy: -441.481066 where: bonds (distance) C4'-P energy: -81.658 bonds (distance) P-C4' energy: -78.559 flat angles C4'-P-C4' energy: -110.833 flat angles P-C4'-P energy: -59.419 tors. eta vs tors. theta energy: -111.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -1290.162090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1290.162090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1290.162090 (E_RNA) where: Base-Base interactions energy: -870.553 where: short stacking energy: -386.739 Base-Backbone interact. energy: -0.673 local terms energy: -418.936270 where: bonds (distance) C4'-P energy: -80.884 bonds (distance) P-C4' energy: -98.317 flat angles C4'-P-C4' energy: -80.081 flat angles P-C4'-P energy: -60.021 tors. eta vs tors. theta energy: -99.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -1207.676624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1207.676624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1207.676624 (E_RNA) where: Base-Base interactions energy: -823.506 where: short stacking energy: -344.018 Base-Backbone interact. energy: 5.539 local terms energy: -389.709481 where: bonds (distance) C4'-P energy: -85.006 bonds (distance) P-C4' energy: -65.947 flat angles C4'-P-C4' energy: -94.596 flat angles P-C4'-P energy: -61.142 tors. eta vs tors. theta energy: -83.019 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: 4 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -932.298641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.298641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.298641 (E_RNA) where: Base-Base interactions energy: -611.928 where: short stacking energy: -283.101 Base-Backbone interact. energy: 2.041 local terms energy: -322.411615 where: bonds (distance) C4'-P energy: -58.491 bonds (distance) P-C4' energy: -89.369 flat angles C4'-P-C4' energy: -75.672 flat angles P-C4'-P energy: -47.994 tors. eta vs tors. theta energy: -50.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -807.913165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.913165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.913165 (E_RNA) where: Base-Base interactions energy: -517.302 where: short stacking energy: -258.580 Base-Backbone interact. energy: -0.870 local terms energy: -289.740891 where: bonds (distance) C4'-P energy: -75.170 bonds (distance) P-C4' energy: -82.188 flat angles C4'-P-C4' energy: -49.267 flat angles P-C4'-P energy: -42.477 tors. eta vs tors. theta energy: -40.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -1886.042972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.042972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.042972 (E_RNA) where: Base-Base interactions energy: -1352.787 where: short stacking energy: -548.953 Base-Backbone interact. energy: -0.362 local terms energy: -532.893635 where: bonds (distance) C4'-P energy: -98.618 bonds (distance) P-C4' energy: -97.352 flat angles C4'-P-C4' energy: -111.177 flat angles P-C4'-P energy: -68.835 tors. eta vs tors. theta energy: -156.911 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: 8 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -1771.158553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.158553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.158553 (E_RNA) where: Base-Base interactions energy: -1210.601 where: short stacking energy: -531.169 Base-Backbone interact. energy: -1.611 local terms energy: -558.946636 where: bonds (distance) C4'-P energy: -106.711 bonds (distance) P-C4' energy: -100.768 flat angles C4'-P-C4' energy: -112.351 flat angles P-C4'-P energy: -87.207 tors. eta vs tors. theta energy: -151.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -1737.612001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1737.612001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1737.612001 (E_RNA) where: Base-Base interactions energy: -1224.792 where: short stacking energy: -514.656 Base-Backbone interact. energy: -0.684 local terms energy: -512.136430 where: bonds (distance) C4'-P energy: -90.270 bonds (distance) P-C4' energy: -83.601 flat angles C4'-P-C4' energy: -111.461 flat angles P-C4'-P energy: -75.110 tors. eta vs tors. theta energy: -151.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -1604.261428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1604.261428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1604.261428 (E_RNA) where: Base-Base interactions energy: -1129.058 where: short stacking energy: -489.006 Base-Backbone interact. energy: -2.102 local terms energy: -473.101491 where: bonds (distance) C4'-P energy: -89.849 bonds (distance) P-C4' energy: -85.681 flat angles C4'-P-C4' energy: -93.159 flat angles P-C4'-P energy: -65.052 tors. eta vs tors. theta energy: -139.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -1569.179572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1569.179572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1569.179572 (E_RNA) where: Base-Base interactions energy: -1067.988 where: short stacking energy: -464.514 Base-Backbone interact. energy: -1.798 local terms energy: -499.393531 where: bonds (distance) C4'-P energy: -102.987 bonds (distance) P-C4' energy: -99.309 flat angles C4'-P-C4' energy: -107.037 flat angles P-C4'-P energy: -65.422 tors. eta vs tors. theta energy: -124.639 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: 485 Temperature: 1.150000 Total energy: -1404.742326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1404.742326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1404.742326 (E_RNA) where: Base-Base interactions energy: -965.770 where: short stacking energy: -425.562 Base-Backbone interact. energy: -1.052 local terms energy: -437.919890 where: bonds (distance) C4'-P energy: -77.328 bonds (distance) P-C4' energy: -85.947 flat angles C4'-P-C4' energy: -93.557 flat angles P-C4'-P energy: -62.939 tors. eta vs tors. theta energy: -118.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -1293.577967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.577967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.577967 (E_RNA) where: Base-Base interactions energy: -890.980 where: short stacking energy: -393.693 Base-Backbone interact. energy: 0.187 local terms energy: -402.784849 where: bonds (distance) C4'-P energy: -93.430 bonds (distance) P-C4' energy: -77.174 flat angles C4'-P-C4' energy: -82.252 flat angles P-C4'-P energy: -53.987 tors. eta vs tors. theta energy: -95.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -1224.455501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1224.455501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1224.455501 (E_RNA) where: Base-Base interactions energy: -814.638 where: short stacking energy: -341.779 Base-Backbone interact. energy: -2.593 local terms energy: -407.225132 where: bonds (distance) C4'-P energy: -88.659 bonds (distance) P-C4' energy: -83.020 flat angles C4'-P-C4' energy: -92.956 flat angles P-C4'-P energy: -66.197 tors. eta vs tors. theta energy: -76.393 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: 4 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -917.808217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.808217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.808217 (E_RNA) where: Base-Base interactions energy: -592.010 where: short stacking energy: -269.188 Base-Backbone interact. energy: -1.125 local terms energy: -324.673498 where: bonds (distance) C4'-P energy: -65.324 bonds (distance) P-C4' energy: -74.912 flat angles C4'-P-C4' energy: -71.661 flat angles P-C4'-P energy: -57.985 tors. eta vs tors. theta energy: -54.792 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: 10 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -798.904127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.904127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.904127 (E_RNA) where: Base-Base interactions energy: -491.035 where: short stacking energy: -239.291 Base-Backbone interact. energy: -0.257 local terms energy: -307.612648 where: bonds (distance) C4'-P energy: -81.976 bonds (distance) P-C4' energy: -78.355 flat angles C4'-P-C4' energy: -75.541 flat angles P-C4'-P energy: -43.478 tors. eta vs tors. theta energy: -28.263 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: 6 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -1888.665950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1888.665950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1888.665950 (E_RNA) where: Base-Base interactions energy: -1356.734 where: short stacking energy: -561.197 Base-Backbone interact. energy: -3.686 local terms energy: -528.245689 where: bonds (distance) C4'-P energy: -91.925 bonds (distance) P-C4' energy: -88.620 flat angles C4'-P-C4' energy: -116.279 flat angles P-C4'-P energy: -77.466 tors. eta vs tors. theta energy: -153.955 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: 8 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -1771.174084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1771.174084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1771.174084 (E_RNA) where: Base-Base interactions energy: -1215.931 where: short stacking energy: -524.578 Base-Backbone interact. energy: -2.188 local terms energy: -553.054911 where: bonds (distance) C4'-P energy: -93.808 bonds (distance) P-C4' energy: -98.927 flat angles C4'-P-C4' energy: -114.234 flat angles P-C4'-P energy: -82.867 tors. eta vs tors. theta energy: -163.219 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: 3, replica: 5 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -1752.769889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.769889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.769889 (E_RNA) where: Base-Base interactions energy: -1244.728 where: short stacking energy: -522.383 Base-Backbone interact. energy: -2.324 local terms energy: -505.718192 where: bonds (distance) C4'-P energy: -99.103 bonds (distance) P-C4' energy: -90.884 flat angles C4'-P-C4' energy: -104.217 flat angles P-C4'-P energy: -67.838 tors. eta vs tors. theta energy: -143.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -1598.861628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1598.861628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1598.861628 (E_RNA) where: Base-Base interactions energy: -1117.142 where: short stacking energy: -472.265 Base-Backbone interact. energy: -0.673 local terms energy: -481.047091 where: bonds (distance) C4'-P energy: -99.328 bonds (distance) P-C4' energy: -87.990 flat angles C4'-P-C4' energy: -98.301 flat angles P-C4'-P energy: -63.409 tors. eta vs tors. theta energy: -132.019 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: 5, replica: 3 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -1547.645065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1547.645065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1547.645065 (E_RNA) where: Base-Base interactions energy: -1069.366 where: short stacking energy: -442.169 Base-Backbone interact. energy: -1.573 local terms energy: -476.706502 where: bonds (distance) C4'-P energy: -99.135 bonds (distance) P-C4' energy: -95.595 flat angles C4'-P-C4' energy: -95.470 flat angles P-C4'-P energy: -68.503 tors. eta vs tors. theta energy: -118.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -1422.428846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1422.428846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1422.428846 (E_RNA) where: Base-Base interactions energy: -963.606 where: short stacking energy: -412.235 Base-Backbone interact. energy: -2.084 local terms energy: -456.738513 where: bonds (distance) C4'-P energy: -86.032 bonds (distance) P-C4' energy: -91.739 flat angles C4'-P-C4' energy: -104.687 flat angles P-C4'-P energy: -62.917 tors. eta vs tors. theta energy: -111.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -1277.077811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1277.077811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1277.077811 (E_RNA) where: Base-Base interactions energy: -865.964 where: short stacking energy: -368.634 Base-Backbone interact. energy: -0.099 local terms energy: -411.015016 where: bonds (distance) C4'-P energy: -104.904 bonds (distance) P-C4' energy: -68.273 flat angles C4'-P-C4' energy: -89.858 flat angles P-C4'-P energy: -59.135 tors. eta vs tors. theta energy: -88.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -1261.213041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1261.213041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1261.213041 (E_RNA) where: Base-Base interactions energy: -859.214 where: short stacking energy: -380.737 Base-Backbone interact. energy: -0.116 local terms energy: -401.882702 where: bonds (distance) C4'-P energy: -78.658 bonds (distance) P-C4' energy: -79.321 flat angles C4'-P-C4' energy: -99.078 flat angles P-C4'-P energy: -56.849 tors. eta vs tors. theta energy: -87.977 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: 9, replica: 4 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -948.923573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.923573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.923573 (E_RNA) where: Base-Base interactions energy: -595.410 where: short stacking energy: -268.125 Base-Backbone interact. energy: 4.492 local terms energy: -358.005047 where: bonds (distance) C4'-P energy: -83.398 bonds (distance) P-C4' energy: -87.648 flat angles C4'-P-C4' energy: -77.589 flat angles P-C4'-P energy: -58.146 tors. eta vs tors. theta energy: -51.224 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: 486 Temperature: 1.350000 Total energy: -750.912375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.912375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.912375 (E_RNA) where: Base-Base interactions energy: -423.306 where: short stacking energy: -201.219 Base-Backbone interact. energy: -0.973 local terms energy: -326.633603 where: bonds (distance) C4'-P energy: -79.120 bonds (distance) P-C4' energy: -87.559 flat angles C4'-P-C4' energy: -82.689 flat angles P-C4'-P energy: -42.582 tors. eta vs tors. theta energy: -34.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -1875.338430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.338430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.338430 (E_RNA) where: Base-Base interactions energy: -1318.364 where: short stacking energy: -557.135 Base-Backbone interact. energy: -1.039 local terms energy: -555.935604 where: bonds (distance) C4'-P energy: -100.994 bonds (distance) P-C4' energy: -103.102 flat angles C4'-P-C4' energy: -117.936 flat angles P-C4'-P energy: -78.512 tors. eta vs tors. theta energy: -155.392 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: 487 Temperature: 0.950000 Total energy: -1799.034423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1799.034423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1799.034423 (E_RNA) where: Base-Base interactions energy: -1298.774 where: short stacking energy: -532.182 Base-Backbone interact. energy: -3.979 local terms energy: -496.281193 where: bonds (distance) C4'-P energy: -88.635 bonds (distance) P-C4' energy: -86.722 flat angles C4'-P-C4' energy: -109.061 flat angles P-C4'-P energy: -62.676 tors. eta vs tors. theta energy: -149.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -1740.855108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1740.855108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1740.855108 (E_RNA) where: Base-Base interactions energy: -1212.197 where: short stacking energy: -552.993 Base-Backbone interact. energy: 0.440 local terms energy: -529.098168 where: bonds (distance) C4'-P energy: -92.997 bonds (distance) P-C4' energy: -88.476 flat angles C4'-P-C4' energy: -115.911 flat angles P-C4'-P energy: -75.287 tors. eta vs tors. theta energy: -156.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -1629.070727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1629.070727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1629.070727 (E_RNA) where: Base-Base interactions energy: -1141.179 where: short stacking energy: -471.896 Base-Backbone interact. energy: -3.411 local terms energy: -484.480753 where: bonds (distance) C4'-P energy: -79.325 bonds (distance) P-C4' energy: -90.193 flat angles C4'-P-C4' energy: -106.277 flat angles P-C4'-P energy: -71.299 tors. eta vs tors. theta energy: -137.386 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: 3 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -1555.299920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1555.299920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1555.299920 (E_RNA) where: Base-Base interactions energy: -1084.493 where: short stacking energy: -459.269 Base-Backbone interact. energy: 1.110 local terms energy: -471.917374 where: bonds (distance) C4'-P energy: -82.914 bonds (distance) P-C4' energy: -90.180 flat angles C4'-P-C4' energy: -105.575 flat angles P-C4'-P energy: -71.317 tors. eta vs tors. theta energy: -121.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -1385.887615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.887615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.887615 (E_RNA) where: Base-Base interactions energy: -958.386 where: short stacking energy: -419.410 Base-Backbone interact. energy: -2.115 local terms energy: -425.386216 where: bonds (distance) C4'-P energy: -83.347 bonds (distance) P-C4' energy: -90.436 flat angles C4'-P-C4' energy: -87.549 flat angles P-C4'-P energy: -57.083 tors. eta vs tors. theta energy: -106.972 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: 7, replica: 9 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -1268.479275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1268.479275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1268.479275 (E_RNA) where: Base-Base interactions energy: -863.311 where: short stacking energy: -366.310 Base-Backbone interact. energy: 2.661 local terms energy: -407.829117 where: bonds (distance) C4'-P energy: -86.695 bonds (distance) P-C4' energy: -83.568 flat angles C4'-P-C4' energy: -90.860 flat angles P-C4'-P energy: -45.312 tors. eta vs tors. theta energy: -101.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -1264.235817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1264.235817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1264.235817 (E_RNA) where: Base-Base interactions energy: -862.531 where: short stacking energy: -383.023 Base-Backbone interact. energy: -2.130 local terms energy: -399.575436 where: bonds (distance) C4'-P energy: -79.075 bonds (distance) P-C4' energy: -78.047 flat angles C4'-P-C4' energy: -90.950 flat angles P-C4'-P energy: -57.542 tors. eta vs tors. theta energy: -93.962 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: 4 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -944.492037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.492037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.492037 (E_RNA) where: Base-Base interactions energy: -611.062 where: short stacking energy: -266.628 Base-Backbone interact. energy: 1.347 local terms energy: -334.777550 where: bonds (distance) C4'-P energy: -78.956 bonds (distance) P-C4' energy: -85.465 flat angles C4'-P-C4' energy: -72.388 flat angles P-C4'-P energy: -51.198 tors. eta vs tors. theta energy: -46.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -675.435941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.435941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.435941 (E_RNA) where: Base-Base interactions energy: -385.258 where: short stacking energy: -180.507 Base-Backbone interact. energy: 0.549 local terms energy: -290.726493 where: bonds (distance) C4'-P energy: -77.360 bonds (distance) P-C4' energy: -77.511 flat angles C4'-P-C4' energy: -76.969 flat angles P-C4'-P energy: -49.652 tors. eta vs tors. theta energy: -9.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -1879.863515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1879.863515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1879.863515 (E_RNA) where: Base-Base interactions energy: -1341.894 where: short stacking energy: -557.659 Base-Backbone interact. energy: -2.487 local terms energy: -535.482225 where: bonds (distance) C4'-P energy: -99.413 bonds (distance) P-C4' energy: -85.208 flat angles C4'-P-C4' energy: -115.804 flat angles P-C4'-P energy: -79.726 tors. eta vs tors. theta energy: -155.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -1788.338371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1788.338371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1788.338371 (E_RNA) where: Base-Base interactions energy: -1263.956 where: short stacking energy: -521.108 Base-Backbone interact. energy: -1.607 local terms energy: -522.775900 where: bonds (distance) C4'-P energy: -93.368 bonds (distance) P-C4' energy: -87.859 flat angles C4'-P-C4' energy: -118.118 flat angles P-C4'-P energy: -72.196 tors. eta vs tors. theta energy: -151.234 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: 3, replica: 8 ===================================== Write number: 488 Temperature: 1.000000 Total energy: -1766.516431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1766.516431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1766.516431 (E_RNA) where: Base-Base interactions energy: -1212.100 where: short stacking energy: -518.964 Base-Backbone interact. energy: -1.306 local terms energy: -553.110716 where: bonds (distance) C4'-P energy: -99.188 bonds (distance) P-C4' energy: -97.951 flat angles C4'-P-C4' energy: -118.541 flat angles P-C4'-P energy: -82.594 tors. eta vs tors. theta energy: -154.837 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: 7 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -1637.099070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1637.099070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1637.099070 (E_RNA) where: Base-Base interactions energy: -1147.807 where: short stacking energy: -458.897 Base-Backbone interact. energy: -1.867 local terms energy: -487.425414 where: bonds (distance) C4'-P energy: -91.666 bonds (distance) P-C4' energy: -96.107 flat angles C4'-P-C4' energy: -110.501 flat angles P-C4'-P energy: -58.698 tors. eta vs tors. theta energy: -130.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -1528.685169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1528.685169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1528.685169 (E_RNA) where: Base-Base interactions energy: -1068.853 where: short stacking energy: -456.791 Base-Backbone interact. energy: 2.410 local terms energy: -462.242018 where: bonds (distance) C4'-P energy: -84.493 bonds (distance) P-C4' energy: -96.330 flat angles C4'-P-C4' energy: -103.751 flat angles P-C4'-P energy: -57.939 tors. eta vs tors. theta energy: -119.729 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: 1 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -1400.138647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.138647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.138647 (E_RNA) where: Base-Base interactions energy: -956.243 where: short stacking energy: -421.404 Base-Backbone interact. energy: 1.575 local terms energy: -445.470779 where: bonds (distance) C4'-P energy: -85.642 bonds (distance) P-C4' energy: -97.937 flat angles C4'-P-C4' energy: -96.825 flat angles P-C4'-P energy: -52.573 tors. eta vs tors. theta energy: -112.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -1294.935694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1294.935694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1294.935694 (E_RNA) where: Base-Base interactions energy: -888.822 where: short stacking energy: -398.896 Base-Backbone interact. energy: 0.119 local terms energy: -406.233188 where: bonds (distance) C4'-P energy: -67.368 bonds (distance) P-C4' energy: -84.316 flat angles C4'-P-C4' energy: -94.135 flat angles P-C4'-P energy: -53.632 tors. eta vs tors. theta energy: -106.783 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: 2 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -1240.879661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1240.879661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1240.879661 (E_RNA) where: Base-Base interactions energy: -838.477 where: short stacking energy: -339.326 Base-Backbone interact. energy: -1.358 local terms energy: -401.044355 where: bonds (distance) C4'-P energy: -85.953 bonds (distance) P-C4' energy: -87.981 flat angles C4'-P-C4' energy: -93.839 flat angles P-C4'-P energy: -61.512 tors. eta vs tors. theta energy: -71.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -951.555345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.555345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.555345 (E_RNA) where: Base-Base interactions energy: -597.394 where: short stacking energy: -283.915 Base-Backbone interact. energy: -1.063 local terms energy: -353.098560 where: bonds (distance) C4'-P energy: -74.883 bonds (distance) P-C4' energy: -76.364 flat angles C4'-P-C4' energy: -85.932 flat angles P-C4'-P energy: -57.306 tors. eta vs tors. theta energy: -58.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -693.117325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.117325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.117325 (E_RNA) where: Base-Base interactions energy: -407.132 where: short stacking energy: -211.340 Base-Backbone interact. energy: 0.808 local terms energy: -286.792929 where: bonds (distance) C4'-P energy: -79.815 bonds (distance) P-C4' energy: -71.045 flat angles C4'-P-C4' energy: -54.124 flat angles P-C4'-P energy: -51.480 tors. eta vs tors. theta energy: -30.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -1867.033507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1867.033507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1867.033507 (E_RNA) where: Base-Base interactions energy: -1317.416 where: short stacking energy: -549.670 Base-Backbone interact. energy: -1.149 local terms energy: -548.468321 where: bonds (distance) C4'-P energy: -93.805 bonds (distance) P-C4' energy: -107.553 flat angles C4'-P-C4' energy: -119.442 flat angles P-C4'-P energy: -78.362 tors. eta vs tors. theta energy: -149.306 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: 2, replica: 5 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -1802.631848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1802.631848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1802.631848 (E_RNA) where: Base-Base interactions energy: -1258.756 where: short stacking energy: -510.008 Base-Backbone interact. energy: -2.055 local terms energy: -541.820738 where: bonds (distance) C4'-P energy: -105.069 bonds (distance) P-C4' energy: -96.246 flat angles C4'-P-C4' energy: -112.991 flat angles P-C4'-P energy: -79.814 tors. eta vs tors. theta energy: -147.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -1764.735290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1764.735290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1764.735290 (E_RNA) where: Base-Base interactions energy: -1211.601 where: short stacking energy: -531.092 Base-Backbone interact. energy: -4.136 local terms energy: -548.998233 where: bonds (distance) C4'-P energy: -101.088 bonds (distance) P-C4' energy: -95.931 flat angles C4'-P-C4' energy: -113.129 flat angles P-C4'-P energy: -76.437 tors. eta vs tors. theta energy: -162.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -1656.570192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.570192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.570192 (E_RNA) where: Base-Base interactions energy: -1164.058 where: short stacking energy: -492.011 Base-Backbone interact. energy: -2.183 local terms energy: -490.328923 where: bonds (distance) C4'-P energy: -91.419 bonds (distance) P-C4' energy: -89.357 flat angles C4'-P-C4' energy: -103.348 flat angles P-C4'-P energy: -68.111 tors. eta vs tors. theta energy: -138.094 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: 3 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -1484.636852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1484.636852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1484.636852 (E_RNA) where: Base-Base interactions energy: -1018.988 where: short stacking energy: -424.887 Base-Backbone interact. energy: -1.138 local terms energy: -464.510504 where: bonds (distance) C4'-P energy: -97.276 bonds (distance) P-C4' energy: -87.461 flat angles C4'-P-C4' energy: -98.674 flat angles P-C4'-P energy: -63.171 tors. eta vs tors. theta energy: -117.928 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: 489 Temperature: 1.150000 Total energy: -1363.713918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1363.713918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1363.713918 (E_RNA) where: Base-Base interactions energy: -944.004 where: short stacking energy: -406.632 Base-Backbone interact. energy: -1.226 local terms energy: -418.483980 where: bonds (distance) C4'-P energy: -85.987 bonds (distance) P-C4' energy: -82.809 flat angles C4'-P-C4' energy: -89.799 flat angles P-C4'-P energy: -51.964 tors. eta vs tors. theta energy: -107.926 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: 9 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -1249.230965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.230965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.230965 (E_RNA) where: Base-Base interactions energy: -841.684 where: short stacking energy: -365.626 Base-Backbone interact. energy: -1.046 local terms energy: -406.500709 where: bonds (distance) C4'-P energy: -95.320 bonds (distance) P-C4' energy: -73.843 flat angles C4'-P-C4' energy: -86.527 flat angles P-C4'-P energy: -68.704 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: 8, replica: 2 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -1187.043960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.043960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.043960 (E_RNA) where: Base-Base interactions energy: -808.082 where: short stacking energy: -353.089 Base-Backbone interact. energy: -1.514 local terms energy: -377.447380 where: bonds (distance) C4'-P energy: -70.239 bonds (distance) P-C4' energy: -91.477 flat angles C4'-P-C4' energy: -79.490 flat angles P-C4'-P energy: -63.817 tors. eta vs tors. theta energy: -72.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -913.340550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.340550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.340550 (E_RNA) where: Base-Base interactions energy: -582.330 where: short stacking energy: -260.548 Base-Backbone interact. energy: -1.122 local terms energy: -329.889336 where: bonds (distance) C4'-P energy: -72.810 bonds (distance) P-C4' energy: -78.985 flat angles C4'-P-C4' energy: -86.233 flat angles P-C4'-P energy: -45.249 tors. eta vs tors. theta energy: -46.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -688.156562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.156562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.156562 (E_RNA) where: Base-Base interactions energy: -417.550 where: short stacking energy: -207.944 Base-Backbone interact. energy: 5.258 local terms energy: -275.864043 where: bonds (distance) C4'-P energy: -75.338 bonds (distance) P-C4' energy: -69.040 flat angles C4'-P-C4' energy: -69.890 flat angles P-C4'-P energy: -47.357 tors. eta vs tors. theta energy: -14.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 490 Temperature: 0.900000 Total energy: -1893.042462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1893.042462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1893.042462 (E_RNA) where: Base-Base interactions energy: -1347.140 where: short stacking energy: -557.681 Base-Backbone interact. energy: -2.175 local terms energy: -543.728116 where: bonds (distance) C4'-P energy: -93.681 bonds (distance) P-C4' energy: -92.126 flat angles C4'-P-C4' energy: -127.090 flat angles P-C4'-P energy: -79.824 tors. eta vs tors. theta energy: -151.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -1794.680236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1794.680236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1794.680236 (E_RNA) where: Base-Base interactions energy: -1274.370 where: short stacking energy: -526.829 Base-Backbone interact. energy: -2.138 local terms energy: -518.171802 where: bonds (distance) C4'-P energy: -96.072 bonds (distance) P-C4' energy: -95.417 flat angles C4'-P-C4' energy: -109.339 flat angles P-C4'-P energy: -73.056 tors. eta vs tors. theta energy: -144.288 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: 3, replica: 8 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -1739.344141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1739.344141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1739.344141 (E_RNA) where: Base-Base interactions energy: -1199.290 where: short stacking energy: -505.374 Base-Backbone interact. energy: -2.691 local terms energy: -537.363732 where: bonds (distance) C4'-P energy: -77.537 bonds (distance) P-C4' energy: -100.913 flat angles C4'-P-C4' energy: -111.326 flat angles P-C4'-P energy: -91.741 tors. eta vs tors. theta energy: -155.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -1633.090654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1633.090654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1633.090654 (E_RNA) where: Base-Base interactions energy: -1170.348 where: short stacking energy: -498.291 Base-Backbone interact. energy: -2.956 local terms energy: -459.785928 where: bonds (distance) C4'-P energy: -84.517 bonds (distance) P-C4' energy: -78.985 flat angles C4'-P-C4' energy: -99.203 flat angles P-C4'-P energy: -63.243 tors. eta vs tors. theta energy: -133.838 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: 3 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -1497.282430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1497.282430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1497.282430 (E_RNA) where: Base-Base interactions energy: -1045.587 where: short stacking energy: -430.992 Base-Backbone interact. energy: -0.577 local terms energy: -451.118984 where: bonds (distance) C4'-P energy: -79.458 bonds (distance) P-C4' energy: -86.031 flat angles C4'-P-C4' energy: -103.386 flat angles P-C4'-P energy: -72.738 tors. eta vs tors. theta energy: -109.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -1385.697524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1385.697524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1385.697524 (E_RNA) where: Base-Base interactions energy: -933.866 where: short stacking energy: -407.158 Base-Backbone interact. energy: -1.241 local terms energy: -450.590314 where: bonds (distance) C4'-P energy: -84.142 bonds (distance) P-C4' energy: -83.128 flat angles C4'-P-C4' energy: -105.329 flat angles P-C4'-P energy: -64.238 tors. eta vs tors. theta energy: -113.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -1304.852563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1304.852563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1304.852563 (E_RNA) where: Base-Base interactions energy: -897.566 where: short stacking energy: -401.744 Base-Backbone interact. energy: 0.469 local terms energy: -407.755388 where: bonds (distance) C4'-P energy: -93.957 bonds (distance) P-C4' energy: -78.195 flat angles C4'-P-C4' energy: -84.054 flat angles P-C4'-P energy: -50.701 tors. eta vs tors. theta energy: -100.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -1171.506379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.506379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.506379 (E_RNA) where: Base-Base interactions energy: -816.079 where: short stacking energy: -339.178 Base-Backbone interact. energy: -3.061 local terms energy: -352.366829 where: bonds (distance) C4'-P energy: -65.875 bonds (distance) P-C4' energy: -74.219 flat angles C4'-P-C4' energy: -89.639 flat angles P-C4'-P energy: -44.101 tors. eta vs tors. theta energy: -78.532 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: 4 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -917.161693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.161693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.161693 (E_RNA) where: Base-Base interactions energy: -582.531 where: short stacking energy: -292.119 Base-Backbone interact. energy: 1.229 local terms energy: -335.859238 where: bonds (distance) C4'-P energy: -81.050 bonds (distance) P-C4' energy: -69.255 flat angles C4'-P-C4' energy: -86.742 flat angles P-C4'-P energy: -46.956 tors. eta vs tors. theta energy: -51.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -647.721687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.721687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.721687 (E_RNA) where: Base-Base interactions energy: -369.515 where: short stacking energy: -200.734 Base-Backbone interact. energy: 2.518 local terms energy: -280.724929 where: bonds (distance) C4'-P energy: -73.720 bonds (distance) P-C4' energy: -88.587 flat angles C4'-P-C4' energy: -55.810 flat angles P-C4'-P energy: -45.381 tors. eta vs tors. theta energy: -17.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -1874.556299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1874.556299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1874.556299 (E_RNA) where: Base-Base interactions energy: -1339.558 where: short stacking energy: -552.154 Base-Backbone interact. energy: -1.146 local terms energy: -533.851458 where: bonds (distance) C4'-P energy: -93.634 bonds (distance) P-C4' energy: -91.730 flat angles C4'-P-C4' energy: -115.701 flat angles P-C4'-P energy: -80.823 tors. eta vs tors. theta energy: -151.964 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: 491 Temperature: 0.950000 Total energy: -1782.200495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1782.200495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1782.200495 (E_RNA) where: Base-Base interactions energy: -1268.989 where: short stacking energy: -510.025 Base-Backbone interact. energy: -2.984 local terms energy: -510.227425 where: bonds (distance) C4'-P energy: -82.839 bonds (distance) P-C4' energy: -96.028 flat angles C4'-P-C4' energy: -116.250 flat angles P-C4'-P energy: -74.412 tors. eta vs tors. theta energy: -140.698 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: 3, replica: 8 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -1725.577585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1725.577585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1725.577585 (E_RNA) where: Base-Base interactions energy: -1196.853 where: short stacking energy: -515.074 Base-Backbone interact. energy: 6.396 local terms energy: -535.121210 where: bonds (distance) C4'-P energy: -97.199 bonds (distance) P-C4' energy: -105.322 flat angles C4'-P-C4' energy: -105.889 flat angles P-C4'-P energy: -72.151 tors. eta vs tors. theta energy: -154.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -1631.944739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1631.944739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1631.944739 (E_RNA) where: Base-Base interactions energy: -1156.159 where: short stacking energy: -457.288 Base-Backbone interact. energy: 4.994 local terms energy: -480.778945 where: bonds (distance) C4'-P energy: -93.279 bonds (distance) P-C4' energy: -88.339 flat angles C4'-P-C4' energy: -100.053 flat angles P-C4'-P energy: -69.454 tors. eta vs tors. theta energy: -129.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -1519.878405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1519.878405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1519.878405 (E_RNA) where: Base-Base interactions energy: -1058.761 where: short stacking energy: -455.704 Base-Backbone interact. energy: -0.557 local terms energy: -460.559923 where: bonds (distance) C4'-P energy: -86.499 bonds (distance) P-C4' energy: -90.090 flat angles C4'-P-C4' energy: -94.700 flat angles P-C4'-P energy: -62.707 tors. eta vs tors. theta energy: -126.563 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: 491 Temperature: 1.150000 Total energy: -1367.446469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1367.446469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1367.446469 (E_RNA) where: Base-Base interactions energy: -945.815 where: short stacking energy: -402.690 Base-Backbone interact. energy: 0.142 local terms energy: -421.772967 where: bonds (distance) C4'-P energy: -68.334 bonds (distance) P-C4' energy: -95.579 flat angles C4'-P-C4' energy: -93.014 flat angles P-C4'-P energy: -61.446 tors. eta vs tors. theta energy: -103.399 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: 7, replica: 9 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -1296.101679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1296.101679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1296.101679 (E_RNA) where: Base-Base interactions energy: -903.123 where: short stacking energy: -377.602 Base-Backbone interact. energy: 0.333 local terms energy: -393.311067 where: bonds (distance) C4'-P energy: -74.247 bonds (distance) P-C4' energy: -78.397 flat angles C4'-P-C4' energy: -102.872 flat angles P-C4'-P energy: -46.673 tors. eta vs tors. theta energy: -91.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -1191.611590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.611590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.611590 (E_RNA) where: Base-Base interactions energy: -822.009 where: short stacking energy: -327.585 Base-Backbone interact. energy: -1.920 local terms energy: -367.681984 where: bonds (distance) C4'-P energy: -78.440 bonds (distance) P-C4' energy: -78.059 flat angles C4'-P-C4' energy: -75.819 flat angles P-C4'-P energy: -60.279 tors. eta vs tors. theta energy: -75.085 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: 4 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -888.857615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.857615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.857615 (E_RNA) where: Base-Base interactions energy: -570.182 where: short stacking energy: -244.058 Base-Backbone interact. energy: -1.104 local terms energy: -317.571406 where: bonds (distance) C4'-P energy: -65.517 bonds (distance) P-C4' energy: -78.598 flat angles C4'-P-C4' energy: -84.601 flat angles P-C4'-P energy: -48.235 tors. eta vs tors. theta energy: -40.620 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: 10 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -739.523935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.523935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.523935 (E_RNA) where: Base-Base interactions energy: -440.397 where: short stacking energy: -231.033 Base-Backbone interact. energy: -1.587 local terms energy: -297.539111 where: bonds (distance) C4'-P energy: -64.256 bonds (distance) P-C4' energy: -84.362 flat angles C4'-P-C4' energy: -77.978 flat angles P-C4'-P energy: -47.579 tors. eta vs tors. theta energy: -23.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -1883.504611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1883.504611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1883.504611 (E_RNA) where: Base-Base interactions energy: -1332.560 where: short stacking energy: -556.396 Base-Backbone interact. energy: -1.807 local terms energy: -549.137830 where: bonds (distance) C4'-P energy: -95.345 bonds (distance) P-C4' energy: -106.678 flat angles C4'-P-C4' energy: -115.756 flat angles P-C4'-P energy: -80.003 tors. eta vs tors. theta energy: -151.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -1808.020269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1808.020269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1808.020269 (E_RNA) where: Base-Base interactions energy: -1279.108 where: short stacking energy: -531.558 Base-Backbone interact. energy: -2.571 local terms energy: -526.341331 where: bonds (distance) C4'-P energy: -88.385 bonds (distance) P-C4' energy: -104.589 flat angles C4'-P-C4' energy: -110.378 flat angles P-C4'-P energy: -74.104 tors. eta vs tors. theta energy: -148.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -1717.747672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1717.747672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1717.747672 (E_RNA) where: Base-Base interactions energy: -1195.675 where: short stacking energy: -508.207 Base-Backbone interact. energy: 2.009 local terms energy: -524.081072 where: bonds (distance) C4'-P energy: -97.826 bonds (distance) P-C4' energy: -92.144 flat angles C4'-P-C4' energy: -110.286 flat angles P-C4'-P energy: -73.070 tors. eta vs tors. theta energy: -150.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -1641.816248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.816248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.816248 (E_RNA) where: Base-Base interactions energy: -1170.861 where: short stacking energy: -460.776 Base-Backbone interact. energy: -2.333 local terms energy: -468.622399 where: bonds (distance) C4'-P energy: -89.150 bonds (distance) P-C4' energy: -93.256 flat angles C4'-P-C4' energy: -92.195 flat angles P-C4'-P energy: -66.641 tors. eta vs tors. theta energy: -127.380 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: 3 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -1523.556838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1523.556838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1523.556838 (E_RNA) where: Base-Base interactions energy: -1057.587 where: short stacking energy: -459.892 Base-Backbone interact. energy: -2.455 local terms energy: -463.514613 where: bonds (distance) C4'-P energy: -95.123 bonds (distance) P-C4' energy: -65.808 flat angles C4'-P-C4' energy: -106.884 flat angles P-C4'-P energy: -75.757 tors. eta vs tors. theta energy: -119.942 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: 492 Temperature: 1.150000 Total energy: -1359.630703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1359.630703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1359.630703 (E_RNA) where: Base-Base interactions energy: -907.529 where: short stacking energy: -384.919 Base-Backbone interact. energy: -2.796 local terms energy: -449.305432 where: bonds (distance) C4'-P energy: -94.954 bonds (distance) P-C4' energy: -83.967 flat angles C4'-P-C4' energy: -101.133 flat angles P-C4'-P energy: -66.297 tors. eta vs tors. theta energy: -102.955 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: 7, replica: 9 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -1315.826356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1315.826356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1315.826356 (E_RNA) where: Base-Base interactions energy: -900.430 where: short stacking energy: -412.392 Base-Backbone interact. energy: -3.559 local terms energy: -411.837421 where: bonds (distance) C4'-P energy: -80.899 bonds (distance) P-C4' energy: -84.191 flat angles C4'-P-C4' energy: -96.765 flat angles P-C4'-P energy: -44.094 tors. eta vs tors. theta energy: -105.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -1256.571510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1256.571510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1256.571510 (E_RNA) where: Base-Base interactions energy: -867.569 where: short stacking energy: -365.769 Base-Backbone interact. energy: -0.469 local terms energy: -388.533299 where: bonds (distance) C4'-P energy: -78.224 bonds (distance) P-C4' energy: -73.912 flat angles C4'-P-C4' energy: -99.384 flat angles P-C4'-P energy: -47.079 tors. eta vs tors. theta energy: -89.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -943.387914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.387914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.387914 (E_RNA) where: Base-Base interactions energy: -585.220 where: short stacking energy: -274.019 Base-Backbone interact. energy: -0.069 local terms energy: -358.098270 where: bonds (distance) C4'-P energy: -79.840 bonds (distance) P-C4' energy: -94.276 flat angles C4'-P-C4' energy: -87.256 flat angles P-C4'-P energy: -46.590 tors. eta vs tors. theta energy: -50.137 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: 492 Temperature: 1.350000 Total energy: -740.413140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.413140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.413140 (E_RNA) where: Base-Base interactions energy: -452.502 where: short stacking energy: -218.462 Base-Backbone interact. energy: 1.469 local terms energy: -289.379765 where: bonds (distance) C4'-P energy: -70.494 bonds (distance) P-C4' energy: -82.004 flat angles C4'-P-C4' energy: -76.660 flat angles P-C4'-P energy: -35.779 tors. eta vs tors. theta energy: -24.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -1899.747375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1899.747375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1899.747375 (E_RNA) where: Base-Base interactions energy: -1353.101 where: short stacking energy: -565.660 Base-Backbone interact. energy: -4.010 local terms energy: -542.636589 where: bonds (distance) C4'-P energy: -100.414 bonds (distance) P-C4' energy: -87.550 flat angles C4'-P-C4' energy: -113.678 flat angles P-C4'-P energy: -81.079 tors. eta vs tors. theta energy: -159.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -1783.733317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1783.733317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1783.733317 (E_RNA) where: Base-Base interactions energy: -1275.703 where: short stacking energy: -512.526 Base-Backbone interact. energy: -3.185 local terms energy: -504.845347 where: bonds (distance) C4'-P energy: -96.155 bonds (distance) P-C4' energy: -93.808 flat angles C4'-P-C4' energy: -103.596 flat angles P-C4'-P energy: -67.639 tors. eta vs tors. theta energy: -143.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -1715.218591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1715.218591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1715.218591 (E_RNA) where: Base-Base interactions energy: -1205.095 where: short stacking energy: -523.287 Base-Backbone interact. energy: -0.478 local terms energy: -509.645361 where: bonds (distance) C4'-P energy: -88.570 bonds (distance) P-C4' energy: -87.969 flat angles C4'-P-C4' energy: -107.236 flat angles P-C4'-P energy: -75.421 tors. eta vs tors. theta energy: -150.450 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: 7 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -1656.670210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1656.670210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1656.670210 (E_RNA) where: Base-Base interactions energy: -1176.908 where: short stacking energy: -503.194 Base-Backbone interact. energy: -3.820 local terms energy: -475.941892 where: bonds (distance) C4'-P energy: -95.029 bonds (distance) P-C4' energy: -91.809 flat angles C4'-P-C4' energy: -94.984 flat angles P-C4'-P energy: -53.202 tors. eta vs tors. theta energy: -140.917 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: 5, replica: 3 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -1512.382383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1512.382383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1512.382383 (E_RNA) where: Base-Base interactions energy: -1048.351 where: short stacking energy: -440.042 Base-Backbone interact. energy: -2.293 local terms energy: -461.738375 where: bonds (distance) C4'-P energy: -72.056 bonds (distance) P-C4' energy: -96.004 flat angles C4'-P-C4' energy: -108.762 flat angles P-C4'-P energy: -65.486 tors. eta vs tors. theta energy: -119.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -1370.702880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1370.702880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1370.702880 (E_RNA) where: Base-Base interactions energy: -911.352 where: short stacking energy: -405.296 Base-Backbone interact. energy: -3.188 local terms energy: -456.162977 where: bonds (distance) C4'-P energy: -76.907 bonds (distance) P-C4' energy: -91.689 flat angles C4'-P-C4' energy: -111.298 flat angles P-C4'-P energy: -55.512 tors. eta vs tors. theta energy: -120.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -1293.180081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1293.180081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1293.180081 (E_RNA) where: Base-Base interactions energy: -883.381 where: short stacking energy: -393.914 Base-Backbone interact. energy: 1.500 local terms energy: -411.299409 where: bonds (distance) C4'-P energy: -87.508 bonds (distance) P-C4' energy: -76.157 flat angles C4'-P-C4' energy: -94.197 flat angles P-C4'-P energy: -44.267 tors. eta vs tors. theta energy: -109.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -1249.414533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1249.414533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1249.414533 (E_RNA) where: Base-Base interactions energy: -839.249 where: short stacking energy: -349.234 Base-Backbone interact. energy: 1.713 local terms energy: -411.879169 where: bonds (distance) C4'-P energy: -81.779 bonds (distance) P-C4' energy: -85.445 flat angles C4'-P-C4' energy: -85.579 flat angles P-C4'-P energy: -69.807 tors. eta vs tors. theta energy: -89.268 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: 4 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -932.258959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.258959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.258959 (E_RNA) where: Base-Base interactions energy: -582.662 where: short stacking energy: -262.368 Base-Backbone interact. energy: -1.618 local terms energy: -347.979682 where: bonds (distance) C4'-P energy: -59.733 bonds (distance) P-C4' energy: -89.507 flat angles C4'-P-C4' energy: -91.564 flat angles P-C4'-P energy: -60.193 tors. eta vs tors. theta energy: -46.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -760.080615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.080615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.080615 (E_RNA) where: Base-Base interactions energy: -497.017 where: short stacking energy: -225.719 Base-Backbone interact. energy: -0.305 local terms energy: -262.758653 where: bonds (distance) C4'-P energy: -79.526 bonds (distance) P-C4' energy: -67.728 flat angles C4'-P-C4' energy: -60.447 flat angles P-C4'-P energy: -38.740 tors. eta vs tors. theta energy: -16.317 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: 1, replica: 6 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -1886.134969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1886.134969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1886.134969 (E_RNA) where: Base-Base interactions energy: -1345.460 where: short stacking energy: -563.493 Base-Backbone interact. energy: -3.742 local terms energy: -536.933249 where: bonds (distance) C4'-P energy: -90.475 bonds (distance) P-C4' energy: -90.520 flat angles C4'-P-C4' energy: -121.765 flat angles P-C4'-P energy: -76.063 tors. eta vs tors. theta energy: -158.110 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: 5 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -1793.811686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1793.811686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1793.811686 (E_RNA) where: Base-Base interactions energy: -1289.519 where: short stacking energy: -518.031 Base-Backbone interact. energy: -2.609 local terms energy: -501.683183 where: bonds (distance) C4'-P energy: -92.924 bonds (distance) P-C4' energy: -92.778 flat angles C4'-P-C4' energy: -106.238 flat angles P-C4'-P energy: -66.105 tors. eta vs tors. theta energy: -143.638 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: 8 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -1742.816188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1742.816188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1742.816188 (E_RNA) where: Base-Base interactions energy: -1216.070 where: short stacking energy: -512.663 Base-Backbone interact. energy: -2.709 local terms energy: -524.036982 where: bonds (distance) C4'-P energy: -93.870 bonds (distance) P-C4' energy: -85.486 flat angles C4'-P-C4' energy: -109.118 flat angles P-C4'-P energy: -79.653 tors. eta vs tors. theta energy: -155.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -1626.147287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1626.147287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1626.147287 (E_RNA) where: Base-Base interactions energy: -1145.141 where: short stacking energy: -488.606 Base-Backbone interact. energy: -2.890 local terms energy: -478.116081 where: bonds (distance) C4'-P energy: -92.136 bonds (distance) P-C4' energy: -90.063 flat angles C4'-P-C4' energy: -93.131 flat angles P-C4'-P energy: -74.233 tors. eta vs tors. theta energy: -128.553 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: 5, replica: 3 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -1538.780551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1538.780551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1538.780551 (E_RNA) where: Base-Base interactions energy: -1089.088 where: short stacking energy: -488.335 Base-Backbone interact. energy: 4.043 local terms energy: -453.736129 where: bonds (distance) C4'-P energy: -71.329 bonds (distance) P-C4' energy: -80.391 flat angles C4'-P-C4' energy: -113.712 flat angles P-C4'-P energy: -58.446 tors. eta vs tors. theta energy: -129.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -1383.928606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1383.928606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1383.928606 (E_RNA) where: Base-Base interactions energy: -945.162 where: short stacking energy: -424.149 Base-Backbone interact. energy: -0.421 local terms energy: -438.345395 where: bonds (distance) C4'-P energy: -83.650 bonds (distance) P-C4' energy: -87.510 flat angles C4'-P-C4' energy: -93.222 flat angles P-C4'-P energy: -62.948 tors. eta vs tors. theta energy: -111.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -1320.238950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1320.238950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1320.238950 (E_RNA) where: Base-Base interactions energy: -884.420 where: short stacking energy: -396.969 Base-Backbone interact. energy: -0.923 local terms energy: -434.896568 where: bonds (distance) C4'-P energy: -86.281 bonds (distance) P-C4' energy: -86.489 flat angles C4'-P-C4' energy: -86.958 flat angles P-C4'-P energy: -68.487 tors. eta vs tors. theta energy: -106.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -1159.761578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.761578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.761578 (E_RNA) where: Base-Base interactions energy: -766.669 where: short stacking energy: -330.416 Base-Backbone interact. energy: -0.665 local terms energy: -392.427437 where: bonds (distance) C4'-P energy: -78.192 bonds (distance) P-C4' energy: -83.101 flat angles C4'-P-C4' energy: -89.037 flat angles P-C4'-P energy: -63.674 tors. eta vs tors. theta energy: -78.422 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: 4 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -897.126578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.126578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.126578 (E_RNA) where: Base-Base interactions energy: -558.625 where: short stacking energy: -249.556 Base-Backbone interact. energy: -2.357 local terms energy: -336.143655 where: bonds (distance) C4'-P energy: -86.832 bonds (distance) P-C4' energy: -76.424 flat angles C4'-P-C4' energy: -88.683 flat angles P-C4'-P energy: -35.070 tors. eta vs tors. theta energy: -49.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -782.103692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.103692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.103692 (E_RNA) where: Base-Base interactions energy: -481.931 where: short stacking energy: -236.654 Base-Backbone interact. energy: -1.897 local terms energy: -298.275417 where: bonds (distance) C4'-P energy: -65.916 bonds (distance) P-C4' energy: -68.200 flat angles C4'-P-C4' energy: -85.803 flat angles P-C4'-P energy: -35.987 tors. eta vs tors. theta energy: -42.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -1882.461503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1882.461503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1882.461503 (E_RNA) where: Base-Base interactions energy: -1322.613 where: short stacking energy: -559.051 Base-Backbone interact. energy: -3.321 local terms energy: -556.526917 where: bonds (distance) C4'-P energy: -104.459 bonds (distance) P-C4' energy: -97.660 flat angles C4'-P-C4' energy: -113.103 flat angles P-C4'-P energy: -84.772 tors. eta vs tors. theta energy: -156.533 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: 5 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -1806.051240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1806.051240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1806.051240 (E_RNA) where: Base-Base interactions energy: -1271.928 where: short stacking energy: -513.188 Base-Backbone interact. energy: 1.329 local terms energy: -535.453069 where: bonds (distance) C4'-P energy: -108.330 bonds (distance) P-C4' energy: -105.849 flat angles C4'-P-C4' energy: -113.950 flat angles P-C4'-P energy: -71.769 tors. eta vs tors. theta energy: -135.555 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: 8 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -1744.789488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1744.789488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1744.789488 (E_RNA) where: Base-Base interactions energy: -1212.660 where: short stacking energy: -512.755 Base-Backbone interact. energy: -4.615 local terms energy: -527.514493 where: bonds (distance) C4'-P energy: -97.194 bonds (distance) P-C4' energy: -94.436 flat angles C4'-P-C4' energy: -106.261 flat angles P-C4'-P energy: -69.890 tors. eta vs tors. theta energy: -159.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -1611.076799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1611.076799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1611.076799 (E_RNA) where: Base-Base interactions energy: -1122.184 where: short stacking energy: -475.660 Base-Backbone interact. energy: -1.220 local terms energy: -487.672932 where: bonds (distance) C4'-P energy: -85.573 bonds (distance) P-C4' energy: -107.485 flat angles C4'-P-C4' energy: -92.036 flat angles P-C4'-P energy: -71.638 tors. eta vs tors. theta energy: -130.941 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: 3 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -1527.770349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1527.770349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1527.770349 (E_RNA) where: Base-Base interactions energy: -1059.847 where: short stacking energy: -447.464 Base-Backbone interact. energy: -2.257 local terms energy: -465.666227 where: bonds (distance) C4'-P energy: -80.477 bonds (distance) P-C4' energy: -93.872 flat angles C4'-P-C4' energy: -98.057 flat angles P-C4'-P energy: -69.111 tors. eta vs tors. theta energy: -124.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -1384.296672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1384.296672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1384.296672 (E_RNA) where: Base-Base interactions energy: -937.149 where: short stacking energy: -398.420 Base-Backbone interact. energy: 0.822 local terms energy: -447.969523 where: bonds (distance) C4'-P energy: -90.575 bonds (distance) P-C4' energy: -96.571 flat angles C4'-P-C4' energy: -89.119 flat angles P-C4'-P energy: -67.091 tors. eta vs tors. theta energy: -104.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -1340.197457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1340.197457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1340.197457 (E_RNA) where: Base-Base interactions energy: -919.849 where: short stacking energy: -400.036 Base-Backbone interact. energy: -1.368 local terms energy: -418.979856 where: bonds (distance) C4'-P energy: -93.824 bonds (distance) P-C4' energy: -73.555 flat angles C4'-P-C4' energy: -92.244 flat angles P-C4'-P energy: -55.366 tors. eta vs tors. theta energy: -103.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -1154.486164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.486164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.486164 (E_RNA) where: Base-Base interactions energy: -777.840 where: short stacking energy: -345.951 Base-Backbone interact. energy: 1.580 local terms energy: -378.226348 where: bonds (distance) C4'-P energy: -82.190 bonds (distance) P-C4' energy: -82.336 flat angles C4'-P-C4' energy: -83.189 flat angles P-C4'-P energy: -59.027 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: 9, replica: 4 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -924.469361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.469361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.469361 (E_RNA) where: Base-Base interactions energy: -621.538 where: short stacking energy: -298.994 Base-Backbone interact. energy: -0.701 local terms energy: -302.230557 where: bonds (distance) C4'-P energy: -78.683 bonds (distance) P-C4' energy: -66.788 flat angles C4'-P-C4' energy: -75.760 flat angles P-C4'-P energy: -27.933 tors. eta vs tors. theta energy: -53.067 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: 495 Temperature: 1.350000 Total energy: -811.125514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.125514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.125514 (E_RNA) where: Base-Base interactions energy: -519.126 where: short stacking energy: -235.193 Base-Backbone interact. energy: 1.937 local terms energy: -293.936812 where: bonds (distance) C4'-P energy: -66.421 bonds (distance) P-C4' energy: -87.107 flat angles C4'-P-C4' energy: -76.298 flat angles P-C4'-P energy: -39.669 tors. eta vs tors. theta energy: -24.442 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: 6 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -1858.802875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1858.802875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1858.802875 (E_RNA) where: Base-Base interactions energy: -1325.349 where: short stacking energy: -557.933 Base-Backbone interact. energy: 2.111 local terms energy: -535.564778 where: bonds (distance) C4'-P energy: -92.366 bonds (distance) P-C4' energy: -103.018 flat angles C4'-P-C4' energy: -112.633 flat angles P-C4'-P energy: -72.136 tors. eta vs tors. theta energy: -155.411 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: 5 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -1781.514535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1781.514535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1781.514535 (E_RNA) where: Base-Base interactions energy: -1268.919 where: short stacking energy: -529.108 Base-Backbone interact. energy: -1.732 local terms energy: -510.864348 where: bonds (distance) C4'-P energy: -95.015 bonds (distance) P-C4' energy: -94.071 flat angles C4'-P-C4' energy: -100.065 flat angles P-C4'-P energy: -82.099 tors. eta vs tors. theta energy: -139.615 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: 8 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -1718.369838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1718.369838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1718.369838 (E_RNA) where: Base-Base interactions energy: -1198.263 where: short stacking energy: -525.086 Base-Backbone interact. energy: -1.273 local terms energy: -518.833873 where: bonds (distance) C4'-P energy: -82.891 bonds (distance) P-C4' energy: -93.651 flat angles C4'-P-C4' energy: -110.211 flat angles P-C4'-P energy: -73.357 tors. eta vs tors. theta energy: -158.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -1601.122284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1601.122284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1601.122284 (E_RNA) where: Base-Base interactions energy: -1116.442 where: short stacking energy: -475.310 Base-Backbone interact. energy: -1.317 local terms energy: -483.363433 where: bonds (distance) C4'-P energy: -89.450 bonds (distance) P-C4' energy: -94.145 flat angles C4'-P-C4' energy: -102.274 flat angles P-C4'-P energy: -70.492 tors. eta vs tors. theta energy: -127.002 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: 5, replica: 3 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -1542.129710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1542.129710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1542.129710 (E_RNA) where: Base-Base interactions energy: -1057.597 where: short stacking energy: -468.036 Base-Backbone interact. energy: -2.242 local terms energy: -482.290971 where: bonds (distance) C4'-P energy: -82.021 bonds (distance) P-C4' energy: -94.915 flat angles C4'-P-C4' energy: -106.895 flat angles P-C4'-P energy: -66.062 tors. eta vs tors. theta energy: -132.398 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: 496 Temperature: 1.150000 Total energy: -1400.247539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1400.247539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1400.247539 (E_RNA) where: Base-Base interactions energy: -968.735 where: short stacking energy: -426.749 Base-Backbone interact. energy: -2.116 local terms energy: -429.396289 where: bonds (distance) C4'-P energy: -81.335 bonds (distance) P-C4' energy: -87.048 flat angles C4'-P-C4' energy: -86.738 flat angles P-C4'-P energy: -70.844 tors. eta vs tors. theta energy: -103.431 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: 9 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -1347.060986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1347.060986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1347.060986 (E_RNA) where: Base-Base interactions energy: -941.369 where: short stacking energy: -416.481 Base-Backbone interact. energy: -1.472 local terms energy: -404.219727 where: bonds (distance) C4'-P energy: -74.855 bonds (distance) P-C4' energy: -71.684 flat angles C4'-P-C4' energy: -88.290 flat angles P-C4'-P energy: -55.637 tors. eta vs tors. theta energy: -113.755 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: 2 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -1166.261743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.261743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.261743 (E_RNA) where: Base-Base interactions energy: -788.070 where: short stacking energy: -299.679 Base-Backbone interact. energy: -3.561 local terms energy: -374.629968 where: bonds (distance) C4'-P energy: -73.054 bonds (distance) P-C4' energy: -95.046 flat angles C4'-P-C4' energy: -82.973 flat angles P-C4'-P energy: -63.348 tors. eta vs tors. theta energy: -60.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -915.188497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.188497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.188497 (E_RNA) where: Base-Base interactions energy: -584.841 where: short stacking energy: -254.193 Base-Backbone interact. energy: -0.887 local terms energy: -329.460916 where: bonds (distance) C4'-P energy: -87.264 bonds (distance) P-C4' energy: -86.168 flat angles C4'-P-C4' energy: -84.724 flat angles P-C4'-P energy: -47.575 tors. eta vs tors. theta energy: -23.729 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: 4 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -895.208440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.208440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.208440 (E_RNA) where: Base-Base interactions energy: -583.636 where: short stacking energy: -248.236 Base-Backbone interact. energy: -1.574 local terms energy: -309.998573 where: bonds (distance) C4'-P energy: -60.415 bonds (distance) P-C4' energy: -82.850 flat angles C4'-P-C4' energy: -74.805 flat angles P-C4'-P energy: -46.693 tors. eta vs tors. theta energy: -45.236 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: 6 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -1909.971564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1909.971564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1909.971564 (E_RNA) where: Base-Base interactions energy: -1361.853 where: short stacking energy: -584.559 Base-Backbone interact. energy: 1.894 local terms energy: -550.012626 where: bonds (distance) C4'-P energy: -84.305 bonds (distance) P-C4' energy: -107.833 flat angles C4'-P-C4' energy: -117.789 flat angles P-C4'-P energy: -76.598 tors. eta vs tors. theta energy: -163.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -1780.608300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.608300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.608300 (E_RNA) where: Base-Base interactions energy: -1274.663 where: short stacking energy: -535.831 Base-Backbone interact. energy: -1.876 local terms energy: -504.068865 where: bonds (distance) C4'-P energy: -85.813 bonds (distance) P-C4' energy: -98.073 flat angles C4'-P-C4' energy: -101.552 flat angles P-C4'-P energy: -73.638 tors. eta vs tors. theta energy: -144.993 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: 8 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -1738.459461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1738.459461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1738.459461 (E_RNA) where: Base-Base interactions energy: -1224.870 where: short stacking energy: -520.968 Base-Backbone interact. energy: -3.098 local terms energy: -510.491385 where: bonds (distance) C4'-P energy: -90.802 bonds (distance) P-C4' energy: -91.234 flat angles C4'-P-C4' energy: -109.090 flat angles P-C4'-P energy: -67.593 tors. eta vs tors. theta energy: -151.772 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: 7 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -1641.396604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1641.396604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1641.396604 (E_RNA) where: Base-Base interactions energy: -1156.207 where: short stacking energy: -476.755 Base-Backbone interact. energy: -4.193 local terms energy: -480.997116 where: bonds (distance) C4'-P energy: -76.951 bonds (distance) P-C4' energy: -92.987 flat angles C4'-P-C4' energy: -97.045 flat angles P-C4'-P energy: -79.354 tors. eta vs tors. theta energy: -134.659 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: 3 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -1490.520890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1490.520890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1490.520890 (E_RNA) where: Base-Base interactions energy: -1046.060 where: short stacking energy: -450.618 Base-Backbone interact. energy: 3.000 local terms energy: -447.460933 where: bonds (distance) C4'-P energy: -74.650 bonds (distance) P-C4' energy: -93.953 flat angles C4'-P-C4' energy: -100.979 flat angles P-C4'-P energy: -55.069 tors. eta vs tors. theta energy: -122.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -1401.598220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1401.598220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1401.598220 (E_RNA) where: Base-Base interactions energy: -980.706 where: short stacking energy: -433.723 Base-Backbone interact. energy: -0.900 local terms energy: -419.991791 where: bonds (distance) C4'-P energy: -76.223 bonds (distance) P-C4' energy: -79.599 flat angles C4'-P-C4' energy: -93.753 flat angles P-C4'-P energy: -58.181 tors. eta vs tors. theta energy: -112.235 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: 1 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -1343.301947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1343.301947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1343.301947 (E_RNA) where: Base-Base interactions energy: -900.894 where: short stacking energy: -421.398 Base-Backbone interact. energy: -2.674 local terms energy: -439.734210 where: bonds (distance) C4'-P energy: -86.604 bonds (distance) P-C4' energy: -91.395 flat angles C4'-P-C4' energy: -99.673 flat angles P-C4'-P energy: -53.758 tors. eta vs tors. theta energy: -108.304 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: 2 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -1244.427287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1244.427287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1244.427287 (E_RNA) where: Base-Base interactions energy: -855.204 where: short stacking energy: -378.546 Base-Backbone interact. energy: 2.767 local terms energy: -391.990306 where: bonds (distance) C4'-P energy: -84.967 bonds (distance) P-C4' energy: -80.562 flat angles C4'-P-C4' energy: -81.543 flat angles P-C4'-P energy: -49.413 tors. eta vs tors. theta energy: -95.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -941.003156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.003156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.003156 (E_RNA) where: Base-Base interactions energy: -602.384 where: short stacking energy: -248.377 Base-Backbone interact. energy: -0.336 local terms energy: -338.283347 where: bonds (distance) C4'-P energy: -83.180 bonds (distance) P-C4' energy: -75.734 flat angles C4'-P-C4' energy: -86.153 flat angles P-C4'-P energy: -48.191 tors. eta vs tors. theta energy: -45.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -878.610803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.610803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.610803 (E_RNA) where: Base-Base interactions energy: -553.420 where: short stacking energy: -236.318 Base-Backbone interact. energy: -1.402 local terms energy: -323.789072 where: bonds (distance) C4'-P energy: -72.623 bonds (distance) P-C4' energy: -82.398 flat angles C4'-P-C4' energy: -74.360 flat angles P-C4'-P energy: -55.168 tors. eta vs tors. theta energy: -39.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 498 Temperature: 0.900000 Total energy: -1865.752894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1865.752894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1865.752894 (E_RNA) where: Base-Base interactions energy: -1316.376 where: short stacking energy: -553.864 Base-Backbone interact. energy: -0.610 local terms energy: -548.766153 where: bonds (distance) C4'-P energy: -94.154 bonds (distance) P-C4' energy: -95.259 flat angles C4'-P-C4' energy: -118.787 flat angles P-C4'-P energy: -79.935 tors. eta vs tors. theta energy: -160.632 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: 2, replica: 5 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -1797.642356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.642356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.642356 (E_RNA) where: Base-Base interactions energy: -1282.372 where: short stacking energy: -541.497 Base-Backbone interact. energy: -2.984 local terms energy: -512.286351 where: bonds (distance) C4'-P energy: -88.387 bonds (distance) P-C4' energy: -104.909 flat angles C4'-P-C4' energy: -106.169 flat angles P-C4'-P energy: -70.446 tors. eta vs tors. theta energy: -142.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -1770.438974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1770.438974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1770.438974 (E_RNA) where: Base-Base interactions energy: -1256.862 where: short stacking energy: -549.581 Base-Backbone interact. energy: 7.313 local terms energy: -520.889751 where: bonds (distance) C4'-P energy: -91.599 bonds (distance) P-C4' energy: -89.592 flat angles C4'-P-C4' energy: -109.437 flat angles P-C4'-P energy: -77.806 tors. eta vs tors. theta energy: -152.456 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: 7 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -1597.596982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1597.596982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1597.596982 (E_RNA) where: Base-Base interactions energy: -1114.460 where: short stacking energy: -465.293 Base-Backbone interact. energy: -5.118 local terms energy: -478.019177 where: bonds (distance) C4'-P energy: -96.666 bonds (distance) P-C4' energy: -99.293 flat angles C4'-P-C4' energy: -91.323 flat angles P-C4'-P energy: -62.922 tors. eta vs tors. theta energy: -127.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -1541.530656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1541.530656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1541.530656 (E_RNA) where: Base-Base interactions energy: -1072.662 where: short stacking energy: -467.330 Base-Backbone interact. energy: -0.787 local terms energy: -468.080906 where: bonds (distance) C4'-P energy: -87.801 bonds (distance) P-C4' energy: -92.862 flat angles C4'-P-C4' energy: -98.000 flat angles P-C4'-P energy: -62.987 tors. eta vs tors. theta energy: -126.430 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: 9 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -1366.020424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1366.020424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1366.020424 (E_RNA) where: Base-Base interactions energy: -939.323 where: short stacking energy: -408.535 Base-Backbone interact. energy: -0.178 local terms energy: -426.518773 where: bonds (distance) C4'-P energy: -77.800 bonds (distance) P-C4' energy: -94.338 flat angles C4'-P-C4' energy: -89.725 flat angles P-C4'-P energy: -63.060 tors. eta vs tors. theta energy: -101.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -1330.252626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1330.252626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1330.252626 (E_RNA) where: Base-Base interactions energy: -898.166 where: short stacking energy: -377.664 Base-Backbone interact. energy: 1.897 local terms energy: -433.983852 where: bonds (distance) C4'-P energy: -84.180 bonds (distance) P-C4' energy: -91.419 flat angles C4'-P-C4' energy: -90.628 flat angles P-C4'-P energy: -63.269 tors. eta vs tors. theta energy: -104.487 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: 8, replica: 2 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -1254.878040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1254.878040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1254.878040 (E_RNA) where: Base-Base interactions energy: -888.352 where: short stacking energy: -377.839 Base-Backbone interact. energy: 3.364 local terms energy: -369.889969 where: bonds (distance) C4'-P energy: -81.834 bonds (distance) P-C4' energy: -77.656 flat angles C4'-P-C4' energy: -76.266 flat angles P-C4'-P energy: -52.391 tors. eta vs tors. theta energy: -81.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -883.224208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.224208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.224208 (E_RNA) where: Base-Base interactions energy: -562.264 where: short stacking energy: -282.501 Base-Backbone interact. energy: -0.869 local terms energy: -320.091610 where: bonds (distance) C4'-P energy: -67.528 bonds (distance) P-C4' energy: -65.893 flat angles C4'-P-C4' energy: -74.890 flat angles P-C4'-P energy: -59.514 tors. eta vs tors. theta energy: -52.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -902.314141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.314141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.314141 (E_RNA) where: Base-Base interactions energy: -572.782 where: short stacking energy: -243.349 Base-Backbone interact. energy: -5.007 local terms energy: -324.525352 where: bonds (distance) C4'-P energy: -67.366 bonds (distance) P-C4' energy: -74.475 flat angles C4'-P-C4' energy: -70.246 flat angles P-C4'-P energy: -58.983 tors. eta vs tors. theta energy: -53.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -1875.208631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1875.208631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1875.208631 (E_RNA) where: Base-Base interactions energy: -1328.588 where: short stacking energy: -561.477 Base-Backbone interact. energy: -0.540 local terms energy: -546.081275 where: bonds (distance) C4'-P energy: -96.971 bonds (distance) P-C4' energy: -95.907 flat angles C4'-P-C4' energy: -119.531 flat angles P-C4'-P energy: -76.487 tors. eta vs tors. theta energy: -157.184 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: 5 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -1797.674556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1797.674556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1797.674556 (E_RNA) where: Base-Base interactions energy: -1271.063 where: short stacking energy: -527.080 Base-Backbone interact. energy: -3.416 local terms energy: -523.195377 where: bonds (distance) C4'-P energy: -100.964 bonds (distance) P-C4' energy: -97.686 flat angles C4'-P-C4' energy: -109.078 flat angles P-C4'-P energy: -69.963 tors. eta vs tors. theta energy: -145.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -1756.278283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1756.278283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1756.278283 (E_RNA) where: Base-Base interactions energy: -1243.987 where: short stacking energy: -521.532 Base-Backbone interact. energy: -1.416 local terms energy: -510.874647 where: bonds (distance) C4'-P energy: -88.289 bonds (distance) P-C4' energy: -95.801 flat angles C4'-P-C4' energy: -104.489 flat angles P-C4'-P energy: -73.460 tors. eta vs tors. theta energy: -148.836 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: 4, replica: 7 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -1627.223036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1627.223036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1627.223036 (E_RNA) where: Base-Base interactions energy: -1118.456 where: short stacking energy: -452.587 Base-Backbone interact. energy: -2.761 local terms energy: -506.006038 where: bonds (distance) C4'-P energy: -98.516 bonds (distance) P-C4' energy: -100.344 flat angles C4'-P-C4' energy: -106.490 flat angles P-C4'-P energy: -67.224 tors. eta vs tors. theta energy: -133.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -1480.850900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1480.850900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1480.850900 (E_RNA) where: Base-Base interactions energy: -1025.155 where: short stacking energy: -450.294 Base-Backbone interact. energy: -2.847 local terms energy: -452.848893 where: bonds (distance) C4'-P energy: -89.842 bonds (distance) P-C4' energy: -80.578 flat angles C4'-P-C4' energy: -95.853 flat angles P-C4'-P energy: -59.577 tors. eta vs tors. theta energy: -126.998 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: 1 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -1354.052363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1354.052363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1354.052363 (E_RNA) where: Base-Base interactions energy: -923.883 where: short stacking energy: -408.105 Base-Backbone interact. energy: -1.721 local terms energy: -428.448971 where: bonds (distance) C4'-P energy: -90.423 bonds (distance) P-C4' energy: -75.231 flat angles C4'-P-C4' energy: -97.610 flat angles P-C4'-P energy: -65.999 tors. eta vs tors. theta energy: -99.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -1283.375322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1283.375322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1283.375322 (E_RNA) where: Base-Base interactions energy: -890.043 where: short stacking energy: -387.071 Base-Backbone interact. energy: -2.640 local terms energy: -390.693091 where: bonds (distance) C4'-P energy: -85.928 bonds (distance) P-C4' energy: -69.235 flat angles C4'-P-C4' energy: -92.269 flat angles P-C4'-P energy: -42.368 tors. eta vs tors. theta energy: -100.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 499 Temperature: 1.250000 Total energy: -1211.351548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.351548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.351548 (E_RNA) where: Base-Base interactions energy: -817.965 where: short stacking energy: -341.993 Base-Backbone interact. energy: 0.452 local terms energy: -393.838624 where: bonds (distance) C4'-P energy: -80.637 bonds (distance) P-C4' energy: -87.907 flat angles C4'-P-C4' energy: -86.733 flat angles P-C4'-P energy: -54.982 tors. eta vs tors. theta energy: -83.580 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: 10 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -901.739928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.739928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.739928 (E_RNA) where: Base-Base interactions energy: -555.171 where: short stacking energy: -244.674 Base-Backbone interact. energy: -1.874 local terms energy: -344.694551 where: bonds (distance) C4'-P energy: -81.345 bonds (distance) P-C4' energy: -85.841 flat angles C4'-P-C4' energy: -97.024 flat angles P-C4'-P energy: -41.998 tors. eta vs tors. theta energy: -38.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -883.244836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.244836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.244836 (E_RNA) where: Base-Base interactions energy: -556.968 where: short stacking energy: -261.925 Base-Backbone interact. energy: -1.458 local terms energy: -324.819100 where: bonds (distance) C4'-P energy: -74.557 bonds (distance) P-C4' energy: -73.696 flat angles C4'-P-C4' energy: -78.069 flat angles P-C4'-P energy: -60.481 tors. eta vs tors. theta energy: -38.016 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: 6 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -1869.248040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1869.248040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1869.248040 (E_RNA) where: Base-Base interactions energy: -1312.097 where: short stacking energy: -550.771 Base-Backbone interact. energy: -2.998 local terms energy: -554.153211 where: bonds (distance) C4'-P energy: -95.055 bonds (distance) P-C4' energy: -105.766 flat angles C4'-P-C4' energy: -121.849 flat angles P-C4'-P energy: -79.698 tors. eta vs tors. theta energy: -151.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -1780.764816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1780.764816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1780.764816 (E_RNA) where: Base-Base interactions energy: -1282.036 where: short stacking energy: -541.473 Base-Backbone interact. energy: -0.406 local terms energy: -498.323371 where: bonds (distance) C4'-P energy: -82.831 bonds (distance) P-C4' energy: -83.352 flat angles C4'-P-C4' energy: -112.549 flat angles P-C4'-P energy: -73.139 tors. eta vs tors. theta energy: -146.453 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: 8 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -1774.702250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1774.702250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1774.702250 (E_RNA) where: Base-Base interactions energy: -1266.458 where: short stacking energy: -532.086 Base-Backbone interact. energy: -2.920 local terms energy: -505.323837 where: bonds (distance) C4'-P energy: -92.757 bonds (distance) P-C4' energy: -89.336 flat angles C4'-P-C4' energy: -101.971 flat angles P-C4'-P energy: -68.840 tors. eta vs tors. theta energy: -152.419 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: 7 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -1675.874776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1675.874776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1675.874776 (E_RNA) where: Base-Base interactions energy: -1201.794 where: short stacking energy: -487.231 Base-Backbone interact. energy: -0.951 local terms energy: -473.129549 where: bonds (distance) C4'-P energy: -87.770 bonds (distance) P-C4' energy: -94.940 flat angles C4'-P-C4' energy: -101.895 flat angles P-C4'-P energy: -65.333 tors. eta vs tors. theta energy: -123.191 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: 5, replica: 3 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -1489.499130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1489.499130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1489.499130 (E_RNA) where: Base-Base interactions energy: -1021.527 where: short stacking energy: -446.440 Base-Backbone interact. energy: 1.310 local terms energy: -469.282003 where: bonds (distance) C4'-P energy: -78.939 bonds (distance) P-C4' energy: -94.761 flat angles C4'-P-C4' energy: -106.673 flat angles P-C4'-P energy: -68.582 tors. eta vs tors. theta energy: -120.326 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: 500 Temperature: 1.150000 Total energy: -1412.351867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.351867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.351867 (E_RNA) where: Base-Base interactions energy: -984.963 where: short stacking energy: -432.674 Base-Backbone interact. energy: -2.281 local terms energy: -425.107997 where: bonds (distance) C4'-P energy: -81.758 bonds (distance) P-C4' energy: -93.264 flat angles C4'-P-C4' energy: -87.847 flat angles P-C4'-P energy: -61.231 tors. eta vs tors. theta energy: -101.008 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: 2 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -1279.962301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1279.962301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1279.962301 (E_RNA) where: Base-Base interactions energy: -868.946 where: short stacking energy: -379.042 Base-Backbone interact. energy: -1.843 local terms energy: -409.172618 where: bonds (distance) C4'-P energy: -80.437 bonds (distance) P-C4' energy: -76.895 flat angles C4'-P-C4' energy: -90.243 flat angles P-C4'-P energy: -64.969 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: 8, replica: 9 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -1217.374308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.374308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.374308 (E_RNA) where: Base-Base interactions energy: -823.796 where: short stacking energy: -359.397 Base-Backbone interact. energy: -2.346 local terms energy: -391.232829 where: bonds (distance) C4'-P energy: -87.070 bonds (distance) P-C4' energy: -75.431 flat angles C4'-P-C4' energy: -81.465 flat angles P-C4'-P energy: -59.382 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: 9, replica: 10 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -926.549577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.549577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.549577 (E_RNA) where: Base-Base interactions energy: -593.176 where: short stacking energy: -267.284 Base-Backbone interact. energy: 0.285 local terms energy: -333.659054 where: bonds (distance) C4'-P energy: -72.907 bonds (distance) P-C4' energy: -83.516 flat angles C4'-P-C4' energy: -79.159 flat angles P-C4'-P energy: -55.045 tors. eta vs tors. theta energy: -43.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -913.716306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.716306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.716306 (E_RNA) where: Base-Base interactions energy: -600.047 where: short stacking energy: -283.589 Base-Backbone interact. energy: -1.469 local terms energy: -312.200094 where: bonds (distance) C4'-P energy: -69.895 bonds (distance) P-C4' energy: -71.125 flat angles C4'-P-C4' energy: -79.492 flat angles P-C4'-P energy: -48.418 tors. eta vs tors. theta energy: -43.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -1884.917609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1884.917609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1884.917609 (E_RNA) where: Base-Base interactions energy: -1326.181 where: short stacking energy: -574.149 Base-Backbone interact. energy: -1.176 local terms energy: -557.560705 where: bonds (distance) C4'-P energy: -105.138 bonds (distance) P-C4' energy: -103.313 flat angles C4'-P-C4' energy: -115.588 flat angles P-C4'-P energy: -74.751 tors. eta vs tors. theta energy: -158.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -1823.037049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1823.037049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1823.037049 (E_RNA) where: Base-Base interactions energy: -1280.219 where: short stacking energy: -530.343 Base-Backbone interact. energy: 1.774 local terms energy: -544.591859 where: bonds (distance) C4'-P energy: -87.899 bonds (distance) P-C4' energy: -103.689 flat angles C4'-P-C4' energy: -114.460 flat angles P-C4'-P energy: -78.285 tors. eta vs tors. theta energy: -160.259 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: 3, replica: 5 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -1752.748755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1752.748755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1752.748755 (E_RNA) where: Base-Base interactions energy: -1235.443 where: short stacking energy: -502.181 Base-Backbone interact. energy: -2.549 local terms energy: -514.756667 where: bonds (distance) C4'-P energy: -86.729 bonds (distance) P-C4' energy: -94.847 flat angles C4'-P-C4' energy: -114.368 flat angles P-C4'-P energy: -84.187 tors. eta vs tors. theta energy: -134.626 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: 7 ===================================== Write number: 501 Temperature: 1.050000 Total energy: -1645.548157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1645.548157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1645.548157 (E_RNA) where: Base-Base interactions energy: -1157.908 where: short stacking energy: -486.026 Base-Backbone interact. energy: -2.650 local terms energy: -484.990046 where: bonds (distance) C4'-P energy: -84.560 bonds (distance) P-C4' energy: -90.729 flat angles C4'-P-C4' energy: -96.483 flat angles P-C4'-P energy: -70.797 tors. eta vs tors. theta energy: -142.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -1533.192640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1533.192640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1533.192640 (E_RNA) where: Base-Base interactions energy: -1078.709 where: short stacking energy: -463.997 Base-Backbone interact. energy: 1.628 local terms energy: -456.111578 where: bonds (distance) C4'-P energy: -79.634 bonds (distance) P-C4' energy: -99.744 flat angles C4'-P-C4' energy: -93.829 flat angles P-C4'-P energy: -64.269 tors. eta vs tors. theta energy: -118.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -1412.245405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1412.245405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1412.245405 (E_RNA) where: Base-Base interactions energy: -967.376 where: short stacking energy: -449.376 Base-Backbone interact. energy: -2.422 local terms energy: -442.447296 where: bonds (distance) C4'-P energy: -67.500 bonds (distance) P-C4' energy: -92.266 flat angles C4'-P-C4' energy: -103.606 flat angles P-C4'-P energy: -63.593 tors. eta vs tors. theta energy: -115.483 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: 2 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -1319.051190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1319.051190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1319.051190 (E_RNA) where: Base-Base interactions energy: -901.832 where: short stacking energy: -399.907 Base-Backbone interact. energy: -1.580 local terms energy: -415.640026 where: bonds (distance) C4'-P energy: -77.634 bonds (distance) P-C4' energy: -82.830 flat angles C4'-P-C4' energy: -93.283 flat angles P-C4'-P energy: -54.760 tors. eta vs tors. theta energy: -107.132 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: 8, replica: 9 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -1165.719280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.719280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.719280 (E_RNA) where: Base-Base interactions energy: -788.959 where: short stacking energy: -336.858 Base-Backbone interact. energy: -1.241 local terms energy: -375.520018 where: bonds (distance) C4'-P energy: -88.034 bonds (distance) P-C4' energy: -77.445 flat angles C4'-P-C4' energy: -91.712 flat angles P-C4'-P energy: -50.088 tors. eta vs tors. theta energy: -68.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -864.509772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.509772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.509772 (E_RNA) where: Base-Base interactions energy: -543.233 where: short stacking energy: -256.089 Base-Backbone interact. energy: 1.910 local terms energy: -323.186207 where: bonds (distance) C4'-P energy: -73.312 bonds (distance) P-C4' energy: -86.961 flat angles C4'-P-C4' energy: -87.435 flat angles P-C4'-P energy: -40.312 tors. eta vs tors. theta energy: -35.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -894.044092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.044092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.044092 (E_RNA) where: Base-Base interactions energy: -555.729 where: short stacking energy: -244.368 Base-Backbone interact. energy: 4.876 local terms energy: -343.190513 where: bonds (distance) C4'-P energy: -70.565 bonds (distance) P-C4' energy: -82.346 flat angles C4'-P-C4' energy: -96.125 flat angles P-C4'-P energy: -51.660 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) replica 6 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 89036408 moves confirmed later: 100332288 all moves confirmed: 189368696 percent of confirmed moves: 23.671087 current total energy: -1778.451754 recalc. total energy: -1778.451754 replica 8 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 86822740 moves confirmed later: 96990565 all moves confirmed: 183813305 percent of confirmed moves: 22.976663 current total energy: -1739.621556 recalc. total energy: -1739.621556 replica 5 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 76792046 moves confirmed later: 84152330 all moves confirmed: 160944376 percent of confirmed moves: 20.118047 current total energy: -1618.283157 recalc. total energy: -1618.283157 replica 7 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 84937768 moves confirmed later: 94667862 all moves confirmed: 179605630 percent of confirmed moves: 22.450704 current total energy: -1553.277273 recalc. total energy: -1553.277273 replica 3 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 84975589 moves confirmed later: 93919190 all moves confirmed: 178894779 percent of confirmed moves: 22.361847 current total energy: -1500.852559 recalc. total energy: -1500.852559 replica 1 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 104874221 moves confirmed later: 120933803 all moves confirmed: 225808024 percent of confirmed moves: 28.226003 current total energy: -1320.826254 recalc. total energy: -1320.826254 replica 2 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 146699867 moves confirmed later: 174892383 all moves confirmed: 321592250 percent of confirmed moves: 40.199031 current total energy: -1172.002412 recalc. total energy: -1172.002412 replica 9 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 90429178 moves confirmed later: 101530241 all moves confirmed: 191959419 percent of confirmed moves: 23.994927 current total energy: -1097.904813 recalc. total energy: -1097.904813 replica 4 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 103710975 moves confirmed later: 119197470 all moves confirmed: 222908445 percent of confirmed moves: 27.863556 current total energy: -780.660642 recalc. total energy: -780.660642 replica 10 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 151119856 moves confirmed later: 180986810 all moves confirmed: 332106666 percent of confirmed moves: 41.513333 current total energy: -732.946129 recalc. total energy: -732.946129 out arg RESULTS//1/8s95-e96bb580_01 Time of doing 8000000 iterations: 28087.356 seconds