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/Mammalian_ancestral_-ce051627/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mammalian_ancestral_-ce051627/inputs/seq.fa: 1 curr_seq: _CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA 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 104 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: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/Mammalian_ancestral_-ce051627/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mammalian_ancestral_-ce051627/inputs/seq.fa: 1 curr_seq: _CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA 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 104 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: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/Mammalian_ancestral_-ce051627/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mammalian_ancestral_-ce051627/inputs/seq.fa: 1 curr_seq: _CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA 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 104 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: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/Mammalian_ancestral_-ce051627/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mammalian_ancestral_-ce051627/inputs/seq.fa: 1 curr_seq: _CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA 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 104 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: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/Mammalian_ancestral_-ce051627/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mammalian_ancestral_-ce051627/inputs/seq.fa: 1 curr_seq: _CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA 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 104 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: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/Mammalian_ancestral_-ce051627/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mammalian_ancestral_-ce051627/inputs/seq.fa: 1 curr_seq: _CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA 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 104 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: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/Mammalian_ancestral_-ce051627/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mammalian_ancestral_-ce051627/inputs/seq.fa: 1 curr_seq: _CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA 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 104 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: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/Mammalian_ancestral_-ce051627/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mammalian_ancestral_-ce051627/inputs/seq.fa: 1 curr_seq: _CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA 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 104 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: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/Mammalian_ancestral_-ce051627/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mammalian_ancestral_-ce051627/inputs/seq.fa: 1 curr_seq: _CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA 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 104 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: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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/Mammalian_ancestral_-ce051627/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/Mammalian_ancestral_-ce051627/inputs/seq.fa: 1 curr_seq: _CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CUUCAAGAUGACAGGGCGCUGGAGAAAAGGCCGCUGGAAUCAGCUGGGUGAAUGCCCAGCCUCCAUGGUUCUUAAUGGACCAGCAAGAUUAUUUUCAUUAAAGA 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 104 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: 525 n_atoms_counter: 525 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 104.000000 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: -419.334839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.334839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.334839 (E_RNA) where: Base-Base interactions energy: -14.328 where: short stacking energy: -14.328 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -419.334839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.334839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.334839 (E_RNA) where: Base-Base interactions energy: -14.328 where: short stacking energy: -14.328 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -419.334839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.334839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.334839 (E_RNA) where: Base-Base interactions energy: -14.328 where: short stacking energy: -14.328 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -419.334839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.334839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.334839 (E_RNA) where: Base-Base interactions energy: -14.328 where: short stacking energy: -14.328 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -419.334839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.334839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.334839 (E_RNA) where: Base-Base interactions energy: -14.328 where: short stacking energy: -14.328 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -419.334839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.334839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.334839 (E_RNA) where: Base-Base interactions energy: -14.328 where: short stacking energy: -14.328 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -419.334839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.334839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.334839 (E_RNA) where: Base-Base interactions energy: -14.328 where: short stacking energy: -14.328 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -419.334839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.334839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.334839 (E_RNA) where: Base-Base interactions energy: -14.328 where: short stacking energy: -14.328 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 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: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -419.334839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.334839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.334839 (E_RNA) where: Base-Base interactions energy: -14.328 where: short stacking energy: -14.328 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -419.334839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.334839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.334839 (E_RNA) where: Base-Base interactions energy: -14.328 where: short stacking energy: -14.328 Base-Backbone interact. energy: -0.000 local terms energy: -405.006460 where: bonds (distance) C4'-P energy: -101.044 bonds (distance) P-C4' energy: -93.938 flat angles C4'-P-C4' energy: -76.359 flat angles P-C4'-P energy: -87.347 tors. eta vs tors. theta energy: -46.317 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: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -540.552362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.552362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.552362 (E_RNA) where: Base-Base interactions energy: -244.515 where: short stacking energy: -243.711 Base-Backbone interact. energy: -0.904 local terms energy: -295.132857 where: bonds (distance) C4'-P energy: -58.190 bonds (distance) P-C4' energy: -67.728 flat angles C4'-P-C4' energy: -70.875 flat angles P-C4'-P energy: -39.072 tors. eta vs tors. theta energy: -59.268 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: 2, replica: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -491.181802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.181802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.181802 (E_RNA) where: Base-Base interactions energy: -199.502 where: short stacking energy: -196.249 Base-Backbone interact. energy: -0.287 local terms energy: -291.393341 where: bonds (distance) C4'-P energy: -66.886 bonds (distance) P-C4' energy: -69.574 flat angles C4'-P-C4' energy: -64.775 flat angles P-C4'-P energy: -42.974 tors. eta vs tors. theta energy: -47.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -464.659855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.659855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.659855 (E_RNA) where: Base-Base interactions energy: -179.222 where: short stacking energy: -168.400 Base-Backbone interact. energy: -1.348 local terms energy: -284.090184 where: bonds (distance) C4'-P energy: -63.919 bonds (distance) P-C4' energy: -69.521 flat angles C4'-P-C4' energy: -75.147 flat angles P-C4'-P energy: -41.003 tors. eta vs tors. theta energy: -34.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -447.837013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -447.837013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -447.837013 (E_RNA) where: Base-Base interactions energy: -180.487 where: short stacking energy: -170.223 Base-Backbone interact. energy: -1.533 local terms energy: -265.817228 where: bonds (distance) C4'-P energy: -70.021 bonds (distance) P-C4' energy: -68.632 flat angles C4'-P-C4' energy: -62.641 flat angles P-C4'-P energy: -31.976 tors. eta vs tors. theta energy: -32.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -432.212550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.212550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.212550 (E_RNA) where: Base-Base interactions energy: -206.307 where: short stacking energy: -131.026 Base-Backbone interact. energy: -1.417 local terms energy: -224.488655 where: bonds (distance) C4'-P energy: -51.945 bonds (distance) P-C4' energy: -68.896 flat angles C4'-P-C4' energy: -51.484 flat angles P-C4'-P energy: -29.474 tors. eta vs tors. theta energy: -22.689 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: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -426.901463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.901463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.901463 (E_RNA) where: Base-Base interactions energy: -49.399 where: short stacking energy: -49.399 Base-Backbone interact. energy: -0.000 local terms energy: -377.502828 where: bonds (distance) C4'-P energy: -83.967 bonds (distance) P-C4' energy: -84.015 flat angles C4'-P-C4' energy: -78.999 flat angles P-C4'-P energy: -83.589 tors. eta vs tors. theta energy: -46.932 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -420.724416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.724416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.724416 (E_RNA) where: Base-Base interactions energy: -24.065 where: short stacking energy: -24.065 Base-Backbone interact. energy: -0.000 local terms energy: -396.658906 where: bonds (distance) C4'-P energy: -96.988 bonds (distance) P-C4' energy: -90.935 flat angles C4'-P-C4' energy: -75.194 flat angles P-C4'-P energy: -86.560 tors. eta vs tors. theta energy: -46.982 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -423.526689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.526689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.526689 (E_RNA) where: Base-Base interactions energy: -83.537 where: short stacking energy: -83.537 Base-Backbone interact. energy: -0.000 local terms energy: -339.989231 where: bonds (distance) C4'-P energy: -76.499 bonds (distance) P-C4' energy: -67.710 flat angles C4'-P-C4' energy: -73.537 flat angles P-C4'-P energy: -76.114 tors. eta vs tors. theta energy: -46.130 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: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -430.934322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.934322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.934322 (E_RNA) where: Base-Base interactions energy: -43.189 where: short stacking energy: -43.189 Base-Backbone interact. energy: -0.000 local terms energy: -387.745232 where: bonds (distance) C4'-P energy: -90.459 bonds (distance) P-C4' energy: -87.968 flat angles C4'-P-C4' energy: -76.649 flat angles P-C4'-P energy: -84.822 tors. eta vs tors. theta energy: -47.847 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: 2 Temperature: 1.350000 Total energy: -430.811746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.811746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.811746 (E_RNA) where: Base-Base interactions energy: -42.289 where: short stacking energy: -42.289 Base-Backbone interact. energy: -0.000 local terms energy: -388.522594 where: bonds (distance) C4'-P energy: -91.131 bonds (distance) P-C4' energy: -91.058 flat angles C4'-P-C4' energy: -74.276 flat angles P-C4'-P energy: -84.155 tors. eta vs tors. theta energy: -47.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -590.002696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.002696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.002696 (E_RNA) where: Base-Base interactions energy: -289.276 where: short stacking energy: -214.642 Base-Backbone interact. energy: -1.330 local terms energy: -299.397021 where: bonds (distance) C4'-P energy: -70.015 bonds (distance) P-C4' energy: -71.506 flat angles C4'-P-C4' energy: -66.308 flat angles P-C4'-P energy: -46.330 tors. eta vs tors. theta energy: -45.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -580.925735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.925735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.925735 (E_RNA) where: Base-Base interactions energy: -288.618 where: short stacking energy: -222.928 Base-Backbone interact. energy: -1.665 local terms energy: -290.643115 where: bonds (distance) C4'-P energy: -66.696 bonds (distance) P-C4' energy: -64.004 flat angles C4'-P-C4' energy: -59.227 flat angles P-C4'-P energy: -43.563 tors. eta vs tors. theta energy: -57.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -609.911256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.911256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.911256 (E_RNA) where: Base-Base interactions energy: -312.355 where: short stacking energy: -193.234 Base-Backbone interact. energy: -0.664 local terms energy: -296.892153 where: bonds (distance) C4'-P energy: -64.955 bonds (distance) P-C4' energy: -68.076 flat angles C4'-P-C4' energy: -67.851 flat angles P-C4'-P energy: -49.646 tors. eta vs tors. theta energy: -46.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -502.877615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.877615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.877615 (E_RNA) where: Base-Base interactions energy: -250.244 where: short stacking energy: -175.038 Base-Backbone interact. energy: -0.259 local terms energy: -252.374981 where: bonds (distance) C4'-P energy: -60.248 bonds (distance) P-C4' energy: -60.990 flat angles C4'-P-C4' energy: -63.506 flat angles P-C4'-P energy: -36.763 tors. eta vs tors. theta energy: -30.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -430.480893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.480893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.480893 (E_RNA) where: Base-Base interactions energy: -187.667 where: short stacking energy: -124.841 Base-Backbone interact. energy: -0.717 local terms energy: -242.096326 where: bonds (distance) C4'-P energy: -63.141 bonds (distance) P-C4' energy: -59.754 flat angles C4'-P-C4' energy: -69.307 flat angles P-C4'-P energy: -41.488 tors. eta vs tors. theta energy: -8.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -403.252563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.252563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.252563 (E_RNA) where: Base-Base interactions energy: -176.132 where: short stacking energy: -131.555 Base-Backbone interact. energy: -0.390 local terms energy: -226.730513 where: bonds (distance) C4'-P energy: -58.205 bonds (distance) P-C4' energy: -62.222 flat angles C4'-P-C4' energy: -59.931 flat angles P-C4'-P energy: -38.185 tors. eta vs tors. theta energy: -8.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -395.855966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.855966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.855966 (E_RNA) where: Base-Base interactions energy: -183.936 where: short stacking energy: -149.985 Base-Backbone interact. energy: -0.785 local terms energy: -211.135227 where: bonds (distance) C4'-P energy: -56.545 bonds (distance) P-C4' energy: -49.472 flat angles C4'-P-C4' energy: -43.368 flat angles P-C4'-P energy: -33.050 tors. eta vs tors. theta energy: -28.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -335.658464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.658464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.658464 (E_RNA) where: Base-Base interactions energy: -146.080 where: short stacking energy: -106.131 Base-Backbone interact. energy: -1.034 local terms energy: -188.544625 where: bonds (distance) C4'-P energy: -43.129 bonds (distance) P-C4' energy: -65.536 flat angles C4'-P-C4' energy: -50.499 flat angles P-C4'-P energy: -31.017 tors. eta vs tors. theta energy: 1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 3 Temperature: 1.300000 Total energy: -319.806861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.806861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.806861 (E_RNA) where: Base-Base interactions energy: -133.259 where: short stacking energy: -94.345 Base-Backbone interact. energy: 1.411 local terms energy: -187.958593 where: bonds (distance) C4'-P energy: -60.923 bonds (distance) P-C4' energy: -55.840 flat angles C4'-P-C4' energy: -39.773 flat angles P-C4'-P energy: -27.848 tors. eta vs tors. theta energy: -3.574 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: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -298.386750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.386750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.386750 (E_RNA) where: Base-Base interactions energy: -122.861 where: short stacking energy: -108.740 Base-Backbone interact. energy: -0.082 local terms energy: -175.443231 where: bonds (distance) C4'-P energy: -54.217 bonds (distance) P-C4' energy: -51.001 flat angles C4'-P-C4' energy: -51.134 flat angles P-C4'-P energy: -17.454 tors. eta vs tors. theta energy: -1.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -670.503316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.503316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.503316 (E_RNA) where: Base-Base interactions energy: -385.779 where: short stacking energy: -239.161 Base-Backbone interact. energy: -1.274 local terms energy: -283.450228 where: bonds (distance) C4'-P energy: -59.234 bonds (distance) P-C4' energy: -68.529 flat angles C4'-P-C4' energy: -60.564 flat angles P-C4'-P energy: -42.775 tors. eta vs tors. theta energy: -52.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -625.009889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.009889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.009889 (E_RNA) where: Base-Base interactions energy: -326.229 where: short stacking energy: -230.823 Base-Backbone interact. energy: -0.161 local terms energy: -298.620213 where: bonds (distance) C4'-P energy: -63.565 bonds (distance) P-C4' energy: -69.910 flat angles C4'-P-C4' energy: -66.138 flat angles P-C4'-P energy: -40.528 tors. eta vs tors. theta energy: -58.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -594.125819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.125819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.125819 (E_RNA) where: Base-Base interactions energy: -312.699 where: short stacking energy: -200.752 Base-Backbone interact. energy: 0.014 local terms energy: -281.441332 where: bonds (distance) C4'-P energy: -65.099 bonds (distance) P-C4' energy: -63.800 flat angles C4'-P-C4' energy: -69.896 flat angles P-C4'-P energy: -40.850 tors. eta vs tors. theta energy: -41.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -547.156373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.156373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.156373 (E_RNA) where: Base-Base interactions energy: -284.132 where: short stacking energy: -162.270 Base-Backbone interact. energy: 2.674 local terms energy: -265.698402 where: bonds (distance) C4'-P energy: -63.938 bonds (distance) P-C4' energy: -64.875 flat angles C4'-P-C4' energy: -64.729 flat angles P-C4'-P energy: -44.724 tors. eta vs tors. theta energy: -27.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -452.363654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.363654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.363654 (E_RNA) where: Base-Base interactions energy: -207.242 where: short stacking energy: -154.105 Base-Backbone interact. energy: 0.896 local terms energy: -246.018364 where: bonds (distance) C4'-P energy: -53.180 bonds (distance) P-C4' energy: -66.089 flat angles C4'-P-C4' energy: -59.509 flat angles P-C4'-P energy: -37.013 tors. eta vs tors. theta energy: -30.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -461.784190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.784190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.784190 (E_RNA) where: Base-Base interactions energy: -223.650 where: short stacking energy: -169.902 Base-Backbone interact. energy: 1.632 local terms energy: -239.766113 where: bonds (distance) C4'-P energy: -59.840 bonds (distance) P-C4' energy: -59.058 flat angles C4'-P-C4' energy: -59.505 flat angles P-C4'-P energy: -33.738 tors. eta vs tors. theta energy: -27.624 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: 7 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -362.401515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.401515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.401515 (E_RNA) where: Base-Base interactions energy: -163.891 where: short stacking energy: -116.837 Base-Backbone interact. energy: -1.252 local terms energy: -197.257771 where: bonds (distance) C4'-P energy: -63.453 bonds (distance) P-C4' energy: -57.386 flat angles C4'-P-C4' energy: -47.261 flat angles P-C4'-P energy: -21.039 tors. eta vs tors. theta energy: -8.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -323.056391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.056391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.056391 (E_RNA) where: Base-Base interactions energy: -120.060 where: short stacking energy: -99.278 Base-Backbone interact. energy: 2.041 local terms energy: -205.037746 where: bonds (distance) C4'-P energy: -61.642 bonds (distance) P-C4' energy: -58.086 flat angles C4'-P-C4' energy: -44.423 flat angles P-C4'-P energy: -29.977 tors. eta vs tors. theta energy: -10.911 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: 8 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -279.549145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.549145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.549145 (E_RNA) where: Base-Base interactions energy: -80.016 where: short stacking energy: -64.055 Base-Backbone interact. energy: -1.759 local terms energy: -197.773930 where: bonds (distance) C4'-P energy: -58.102 bonds (distance) P-C4' energy: -67.514 flat angles C4'-P-C4' energy: -45.375 flat angles P-C4'-P energy: -32.580 tors. eta vs tors. theta energy: 5.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -276.207674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.207674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.207674 (E_RNA) where: Base-Base interactions energy: -108.043 where: short stacking energy: -58.215 Base-Backbone interact. energy: 1.944 local terms energy: -170.109125 where: bonds (distance) C4'-P energy: -62.739 bonds (distance) P-C4' energy: -52.773 flat angles C4'-P-C4' energy: -50.517 flat angles P-C4'-P energy: -17.708 tors. eta vs tors. theta energy: 13.627 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: 1 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -759.945121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.945121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.945121 (E_RNA) where: Base-Base interactions energy: -448.528 where: short stacking energy: -243.221 Base-Backbone interact. energy: -0.920 local terms energy: -310.497550 where: bonds (distance) C4'-P energy: -65.539 bonds (distance) P-C4' energy: -66.408 flat angles C4'-P-C4' energy: -73.601 flat angles P-C4'-P energy: -51.372 tors. eta vs tors. theta energy: -53.578 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: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -621.931466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.931466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.931466 (E_RNA) where: Base-Base interactions energy: -347.691 where: short stacking energy: -192.725 Base-Backbone interact. energy: -0.269 local terms energy: -273.971678 where: bonds (distance) C4'-P energy: -62.096 bonds (distance) P-C4' energy: -68.956 flat angles C4'-P-C4' energy: -69.934 flat angles P-C4'-P energy: -41.937 tors. eta vs tors. theta energy: -31.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -601.994496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.994496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.994496 (E_RNA) where: Base-Base interactions energy: -316.040 where: short stacking energy: -193.189 Base-Backbone interact. energy: -1.115 local terms energy: -284.839449 where: bonds (distance) C4'-P energy: -67.812 bonds (distance) P-C4' energy: -64.636 flat angles C4'-P-C4' energy: -64.637 flat angles P-C4'-P energy: -50.030 tors. eta vs tors. theta energy: -37.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -604.296167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.296167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.296167 (E_RNA) where: Base-Base interactions energy: -341.056 where: short stacking energy: -189.563 Base-Backbone interact. energy: -1.248 local terms energy: -261.991970 where: bonds (distance) C4'-P energy: -64.107 bonds (distance) P-C4' energy: -55.130 flat angles C4'-P-C4' energy: -59.140 flat angles P-C4'-P energy: -43.250 tors. eta vs tors. theta energy: -40.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -418.967456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.967456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.967456 (E_RNA) where: Base-Base interactions energy: -173.611 where: short stacking energy: -127.331 Base-Backbone interact. energy: -0.320 local terms energy: -245.036608 where: bonds (distance) C4'-P energy: -71.384 bonds (distance) P-C4' energy: -67.778 flat angles C4'-P-C4' energy: -57.412 flat angles P-C4'-P energy: -31.991 tors. eta vs tors. theta energy: -16.471 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: 6 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -502.248276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.248276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.248276 (E_RNA) where: Base-Base interactions energy: -273.229 where: short stacking energy: -166.004 Base-Backbone interact. energy: -0.383 local terms energy: -228.636074 where: bonds (distance) C4'-P energy: -57.602 bonds (distance) P-C4' energy: -56.340 flat angles C4'-P-C4' energy: -55.173 flat angles P-C4'-P energy: -28.468 tors. eta vs tors. theta energy: -31.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -409.065405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.065405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.065405 (E_RNA) where: Base-Base interactions energy: -174.665 where: short stacking energy: -128.367 Base-Backbone interact. energy: -1.146 local terms energy: -233.254465 where: bonds (distance) C4'-P energy: -70.566 bonds (distance) P-C4' energy: -62.290 flat angles C4'-P-C4' energy: -47.688 flat angles P-C4'-P energy: -34.085 tors. eta vs tors. theta energy: -18.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -394.411108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.411108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.411108 (E_RNA) where: Base-Base interactions energy: -201.972 where: short stacking energy: -135.388 Base-Backbone interact. energy: -0.560 local terms energy: -191.878275 where: bonds (distance) C4'-P energy: -48.265 bonds (distance) P-C4' energy: -51.570 flat angles C4'-P-C4' energy: -57.426 flat angles P-C4'-P energy: -15.846 tors. eta vs tors. theta energy: -18.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -316.213621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.213621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.213621 (E_RNA) where: Base-Base interactions energy: -138.304 where: short stacking energy: -103.431 Base-Backbone interact. energy: -0.437 local terms energy: -177.473215 where: bonds (distance) C4'-P energy: -41.895 bonds (distance) P-C4' energy: -57.263 flat angles C4'-P-C4' energy: -49.609 flat angles P-C4'-P energy: -32.309 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: 10, replica: 10 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -259.669327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -259.669327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -259.669327 (E_RNA) where: Base-Base interactions energy: -73.196 where: short stacking energy: -69.551 Base-Backbone interact. energy: 0.213 local terms energy: -186.686394 where: bonds (distance) C4'-P energy: -63.673 bonds (distance) P-C4' energy: -57.131 flat angles C4'-P-C4' energy: -49.494 flat angles P-C4'-P energy: -31.757 tors. eta vs tors. theta energy: 15.369 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: 1 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -833.300684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.300684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.300684 (E_RNA) where: Base-Base interactions energy: -514.922 where: short stacking energy: -283.991 Base-Backbone interact. energy: 0.495 local terms energy: -318.873949 where: bonds (distance) C4'-P energy: -60.062 bonds (distance) P-C4' energy: -65.253 flat angles C4'-P-C4' energy: -72.356 flat angles P-C4'-P energy: -50.648 tors. eta vs tors. theta energy: -70.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -683.166706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.166706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.166706 (E_RNA) where: Base-Base interactions energy: -416.690 where: short stacking energy: -226.424 Base-Backbone interact. energy: -0.791 local terms energy: -265.685205 where: bonds (distance) C4'-P energy: -48.239 bonds (distance) P-C4' energy: -62.683 flat angles C4'-P-C4' energy: -57.928 flat angles P-C4'-P energy: -45.675 tors. eta vs tors. theta energy: -51.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -671.304770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.304770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.304770 (E_RNA) where: Base-Base interactions energy: -403.188 where: short stacking energy: -181.048 Base-Backbone interact. energy: 0.228 local terms energy: -268.345260 where: bonds (distance) C4'-P energy: -61.128 bonds (distance) P-C4' energy: -71.338 flat angles C4'-P-C4' energy: -66.221 flat angles P-C4'-P energy: -38.150 tors. eta vs tors. theta energy: -31.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -580.246985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.246985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.246985 (E_RNA) where: Base-Base interactions energy: -321.331 where: short stacking energy: -196.177 Base-Backbone interact. energy: -1.527 local terms energy: -257.388385 where: bonds (distance) C4'-P energy: -55.894 bonds (distance) P-C4' energy: -57.152 flat angles C4'-P-C4' energy: -64.573 flat angles P-C4'-P energy: -39.222 tors. eta vs tors. theta energy: -40.548 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: 6 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -541.724440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.724440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.724440 (E_RNA) where: Base-Base interactions energy: -300.148 where: short stacking energy: -167.286 Base-Backbone interact. energy: -0.925 local terms energy: -240.651808 where: bonds (distance) C4'-P energy: -61.952 bonds (distance) P-C4' energy: -57.859 flat angles C4'-P-C4' energy: -54.057 flat angles P-C4'-P energy: -39.594 tors. eta vs tors. theta energy: -27.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -433.394948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.394948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.394948 (E_RNA) where: Base-Base interactions energy: -267.076 where: short stacking energy: -141.258 Base-Backbone interact. energy: 1.292 local terms energy: -167.610987 where: bonds (distance) C4'-P energy: -36.717 bonds (distance) P-C4' energy: -52.750 flat angles C4'-P-C4' energy: -54.107 flat angles P-C4'-P energy: -21.246 tors. eta vs tors. theta energy: -2.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -405.762603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.762603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.762603 (E_RNA) where: Base-Base interactions energy: -176.182 where: short stacking energy: -136.092 Base-Backbone interact. energy: -1.733 local terms energy: -227.847597 where: bonds (distance) C4'-P energy: -54.477 bonds (distance) P-C4' energy: -54.637 flat angles C4'-P-C4' energy: -68.902 flat angles P-C4'-P energy: -29.614 tors. eta vs tors. theta energy: -20.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -412.013032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.013032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.013032 (E_RNA) where: Base-Base interactions energy: -202.308 where: short stacking energy: -106.836 Base-Backbone interact. energy: -2.480 local terms energy: -207.224745 where: bonds (distance) C4'-P energy: -51.468 bonds (distance) P-C4' energy: -56.360 flat angles C4'-P-C4' energy: -51.322 flat angles P-C4'-P energy: -41.570 tors. eta vs tors. theta energy: -6.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -320.965212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.965212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.965212 (E_RNA) where: Base-Base interactions energy: -119.121 where: short stacking energy: -86.305 Base-Backbone interact. energy: 0.455 local terms energy: -202.299116 where: bonds (distance) C4'-P energy: -64.519 bonds (distance) P-C4' energy: -55.733 flat angles C4'-P-C4' energy: -48.508 flat angles P-C4'-P energy: -30.178 tors. eta vs tors. theta energy: -3.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -281.960069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.960069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.960069 (E_RNA) where: Base-Base interactions energy: -121.172 where: short stacking energy: -88.960 Base-Backbone interact. energy: -0.937 local terms energy: -159.851294 where: bonds (distance) C4'-P energy: -43.936 bonds (distance) P-C4' energy: -66.227 flat angles C4'-P-C4' energy: -39.193 flat angles P-C4'-P energy: -9.779 tors. eta vs tors. theta energy: -0.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -890.842111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.842111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.842111 (E_RNA) where: Base-Base interactions energy: -590.487 where: short stacking energy: -286.978 Base-Backbone interact. energy: -1.389 local terms energy: -298.966381 where: bonds (distance) C4'-P energy: -60.897 bonds (distance) P-C4' energy: -57.847 flat angles C4'-P-C4' energy: -72.410 flat angles P-C4'-P energy: -44.903 tors. eta vs tors. theta energy: -62.910 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: 7 Temperature: 0.950000 Total energy: -729.930763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.930763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.930763 (E_RNA) where: Base-Base interactions energy: -445.680 where: short stacking energy: -219.377 Base-Backbone interact. energy: -0.842 local terms energy: -283.408893 where: bonds (distance) C4'-P energy: -64.425 bonds (distance) P-C4' energy: -62.916 flat angles C4'-P-C4' energy: -61.292 flat angles P-C4'-P energy: -46.959 tors. eta vs tors. theta energy: -47.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -695.649802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.649802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.649802 (E_RNA) where: Base-Base interactions energy: -418.923 where: short stacking energy: -204.975 Base-Backbone interact. energy: -1.410 local terms energy: -275.316871 where: bonds (distance) C4'-P energy: -58.077 bonds (distance) P-C4' energy: -69.983 flat angles C4'-P-C4' energy: -68.106 flat angles P-C4'-P energy: -31.745 tors. eta vs tors. theta energy: -47.406 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: 6 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -624.761133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.761133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.761133 (E_RNA) where: Base-Base interactions energy: -353.418 where: short stacking energy: -192.399 Base-Backbone interact. energy: -1.139 local terms energy: -270.204240 where: bonds (distance) C4'-P energy: -51.267 bonds (distance) P-C4' energy: -66.571 flat angles C4'-P-C4' energy: -67.690 flat angles P-C4'-P energy: -37.771 tors. eta vs tors. theta energy: -46.905 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: 5, replica: 3 ===================================== Write number: 7 Temperature: 1.100000 Total energy: -548.008125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.008125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.008125 (E_RNA) where: Base-Base interactions energy: -295.275 where: short stacking energy: -163.188 Base-Backbone interact. energy: -0.539 local terms energy: -252.193290 where: bonds (distance) C4'-P energy: -62.976 bonds (distance) P-C4' energy: -69.807 flat angles C4'-P-C4' energy: -57.247 flat angles P-C4'-P energy: -29.019 tors. eta vs tors. theta energy: -33.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -460.785241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -460.785241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -460.785241 (E_RNA) where: Base-Base interactions energy: -256.326 where: short stacking energy: -136.441 Base-Backbone interact. energy: -0.384 local terms energy: -204.075137 where: bonds (distance) C4'-P energy: -56.503 bonds (distance) P-C4' energy: -68.023 flat angles C4'-P-C4' energy: -46.436 flat angles P-C4'-P energy: -26.867 tors. eta vs tors. theta energy: -6.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -359.606991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.606991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.606991 (E_RNA) where: Base-Base interactions energy: -145.652 where: short stacking energy: -104.838 Base-Backbone interact. energy: -0.655 local terms energy: -213.300425 where: bonds (distance) C4'-P energy: -58.964 bonds (distance) P-C4' energy: -64.253 flat angles C4'-P-C4' energy: -56.111 flat angles P-C4'-P energy: -32.641 tors. eta vs tors. theta energy: -1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -409.784773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.784773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.784773 (E_RNA) where: Base-Base interactions energy: -210.484 where: short stacking energy: -125.203 Base-Backbone interact. energy: 1.760 local terms energy: -201.061397 where: bonds (distance) C4'-P energy: -43.755 bonds (distance) P-C4' energy: -60.650 flat angles C4'-P-C4' energy: -64.409 flat angles P-C4'-P energy: -25.409 tors. eta vs tors. theta energy: -6.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -290.465380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.465380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.465380 (E_RNA) where: Base-Base interactions energy: -98.863 where: short stacking energy: -77.468 Base-Backbone interact. energy: -1.395 local terms energy: -190.207514 where: bonds (distance) C4'-P energy: -57.497 bonds (distance) P-C4' energy: -49.406 flat angles C4'-P-C4' energy: -61.688 flat angles P-C4'-P energy: -27.556 tors. eta vs tors. theta energy: 5.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -286.719464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.719464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.719464 (E_RNA) where: Base-Base interactions energy: -104.990 where: short stacking energy: -98.166 Base-Backbone interact. energy: -1.059 local terms energy: -180.671121 where: bonds (distance) C4'-P energy: -59.502 bonds (distance) P-C4' energy: -61.611 flat angles C4'-P-C4' energy: -36.500 flat angles P-C4'-P energy: -26.323 tors. eta vs tors. theta energy: 3.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -859.819283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.819283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.819283 (E_RNA) where: Base-Base interactions energy: -546.015 where: short stacking energy: -271.927 Base-Backbone interact. energy: -0.424 local terms energy: -313.380793 where: bonds (distance) C4'-P energy: -67.598 bonds (distance) P-C4' energy: -67.171 flat angles C4'-P-C4' energy: -72.263 flat angles P-C4'-P energy: -48.042 tors. eta vs tors. theta energy: -58.307 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: 2 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -730.828023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.828023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.828023 (E_RNA) where: Base-Base interactions energy: -447.442 where: short stacking energy: -241.974 Base-Backbone interact. energy: -0.661 local terms energy: -282.725153 where: bonds (distance) C4'-P energy: -67.139 bonds (distance) P-C4' energy: -59.699 flat angles C4'-P-C4' energy: -66.068 flat angles P-C4'-P energy: -42.576 tors. eta vs tors. theta energy: -47.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -726.098588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.098588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.098588 (E_RNA) where: Base-Base interactions energy: -443.051 where: short stacking energy: -242.422 Base-Backbone interact. energy: -1.393 local terms energy: -281.654612 where: bonds (distance) C4'-P energy: -62.736 bonds (distance) P-C4' energy: -70.942 flat angles C4'-P-C4' energy: -66.155 flat angles P-C4'-P energy: -30.477 tors. eta vs tors. theta energy: -51.344 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: 6 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -665.450360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.450360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.450360 (E_RNA) where: Base-Base interactions energy: -406.546 where: short stacking energy: -203.156 Base-Backbone interact. energy: -1.582 local terms energy: -257.322808 where: bonds (distance) C4'-P energy: -56.822 bonds (distance) P-C4' energy: -54.818 flat angles C4'-P-C4' energy: -72.511 flat angles P-C4'-P energy: -31.751 tors. eta vs tors. theta energy: -41.421 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: 8 Temperature: 1.100000 Total energy: -546.691099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.691099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.691099 (E_RNA) where: Base-Base interactions energy: -286.073 where: short stacking energy: -179.271 Base-Backbone interact. energy: -1.596 local terms energy: -259.022649 where: bonds (distance) C4'-P energy: -56.418 bonds (distance) P-C4' energy: -63.467 flat angles C4'-P-C4' energy: -66.119 flat angles P-C4'-P energy: -37.646 tors. eta vs tors. theta energy: -35.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -567.515512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.515512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.515512 (E_RNA) where: Base-Base interactions energy: -335.389 where: short stacking energy: -177.876 Base-Backbone interact. energy: -1.136 local terms energy: -230.990688 where: bonds (distance) C4'-P energy: -50.852 bonds (distance) P-C4' energy: -59.322 flat angles C4'-P-C4' energy: -53.989 flat angles P-C4'-P energy: -39.616 tors. eta vs tors. theta energy: -27.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -535.239486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.239486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.239486 (E_RNA) where: Base-Base interactions energy: -282.211 where: short stacking energy: -167.659 Base-Backbone interact. energy: -1.655 local terms energy: -251.373334 where: bonds (distance) C4'-P energy: -61.470 bonds (distance) P-C4' energy: -60.696 flat angles C4'-P-C4' energy: -59.198 flat angles P-C4'-P energy: -35.959 tors. eta vs tors. theta energy: -34.049 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: 7 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -321.178912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -321.178912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -321.178912 (E_RNA) where: Base-Base interactions energy: -128.305 where: short stacking energy: -91.888 Base-Backbone interact. energy: 2.943 local terms energy: -195.816124 where: bonds (distance) C4'-P energy: -56.278 bonds (distance) P-C4' energy: -49.486 flat angles C4'-P-C4' energy: -51.245 flat angles P-C4'-P energy: -41.414 tors. eta vs tors. theta energy: 2.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -288.428306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.428306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.428306 (E_RNA) where: Base-Base interactions energy: -97.386 where: short stacking energy: -76.584 Base-Backbone interact. energy: -1.893 local terms energy: -189.149309 where: bonds (distance) C4'-P energy: -50.662 bonds (distance) P-C4' energy: -51.910 flat angles C4'-P-C4' energy: -53.561 flat angles P-C4'-P energy: -34.996 tors. eta vs tors. theta energy: 1.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -313.804445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -313.804445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -313.804445 (E_RNA) where: Base-Base interactions energy: -116.551 where: short stacking energy: -84.723 Base-Backbone interact. energy: -0.096 local terms energy: -197.158184 where: bonds (distance) C4'-P energy: -48.757 bonds (distance) P-C4' energy: -63.843 flat angles C4'-P-C4' energy: -55.298 flat angles P-C4'-P energy: -34.073 tors. eta vs tors. theta energy: 4.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -887.371971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.371971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.371971 (E_RNA) where: Base-Base interactions energy: -579.143 where: short stacking energy: -270.034 Base-Backbone interact. energy: 1.303 local terms energy: -309.531788 where: bonds (distance) C4'-P energy: -71.764 bonds (distance) P-C4' energy: -72.196 flat angles C4'-P-C4' energy: -71.593 flat angles P-C4'-P energy: -35.755 tors. eta vs tors. theta energy: -58.224 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: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -729.511782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.511782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.511782 (E_RNA) where: Base-Base interactions energy: -437.222 where: short stacking energy: -235.899 Base-Backbone interact. energy: -1.053 local terms energy: -291.236632 where: bonds (distance) C4'-P energy: -65.487 bonds (distance) P-C4' energy: -71.378 flat angles C4'-P-C4' energy: -68.284 flat angles P-C4'-P energy: -36.944 tors. eta vs tors. theta energy: -49.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -732.478470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.478470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.478470 (E_RNA) where: Base-Base interactions energy: -452.277 where: short stacking energy: -222.956 Base-Backbone interact. energy: -1.326 local terms energy: -278.875162 where: bonds (distance) C4'-P energy: -64.678 bonds (distance) P-C4' energy: -54.653 flat angles C4'-P-C4' energy: -69.219 flat angles P-C4'-P energy: -40.813 tors. eta vs tors. theta energy: -49.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -704.571963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.571963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.571963 (E_RNA) where: Base-Base interactions energy: -418.600 where: short stacking energy: -212.939 Base-Backbone interact. energy: -2.424 local terms energy: -283.548709 where: bonds (distance) C4'-P energy: -61.756 bonds (distance) P-C4' energy: -67.782 flat angles C4'-P-C4' energy: -62.073 flat angles P-C4'-P energy: -37.023 tors. eta vs tors. theta energy: -54.915 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: 3 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -583.514730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.514730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.514730 (E_RNA) where: Base-Base interactions energy: -335.845 where: short stacking energy: -180.887 Base-Backbone interact. energy: -2.457 local terms energy: -245.212712 where: bonds (distance) C4'-P energy: -61.886 bonds (distance) P-C4' energy: -62.445 flat angles C4'-P-C4' energy: -60.284 flat angles P-C4'-P energy: -23.262 tors. eta vs tors. theta energy: -37.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -556.959920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.959920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.959920 (E_RNA) where: Base-Base interactions energy: -329.119 where: short stacking energy: -173.511 Base-Backbone interact. energy: -0.871 local terms energy: -226.969866 where: bonds (distance) C4'-P energy: -63.531 bonds (distance) P-C4' energy: -50.232 flat angles C4'-P-C4' energy: -57.388 flat angles P-C4'-P energy: -31.699 tors. eta vs tors. theta energy: -24.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -528.121757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.121757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.121757 (E_RNA) where: Base-Base interactions energy: -301.685 where: short stacking energy: -153.424 Base-Backbone interact. energy: 2.929 local terms energy: -229.366456 where: bonds (distance) C4'-P energy: -60.364 bonds (distance) P-C4' energy: -62.902 flat angles C4'-P-C4' energy: -52.726 flat angles P-C4'-P energy: -41.579 tors. eta vs tors. theta energy: -11.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -324.542532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.542532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.542532 (E_RNA) where: Base-Base interactions energy: -139.600 where: short stacking energy: -106.417 Base-Backbone interact. energy: 2.706 local terms energy: -187.649090 where: bonds (distance) C4'-P energy: -52.268 bonds (distance) P-C4' energy: -60.062 flat angles C4'-P-C4' energy: -43.674 flat angles P-C4'-P energy: -29.715 tors. eta vs tors. theta energy: -1.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -299.997077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.997077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.997077 (E_RNA) where: Base-Base interactions energy: -122.262 where: short stacking energy: -74.301 Base-Backbone interact. energy: -1.422 local terms energy: -176.312937 where: bonds (distance) C4'-P energy: -53.728 bonds (distance) P-C4' energy: -61.414 flat angles C4'-P-C4' energy: -49.033 flat angles P-C4'-P energy: -13.102 tors. eta vs tors. theta energy: 0.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -318.343554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -318.343554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -318.343554 (E_RNA) where: Base-Base interactions energy: -137.646 where: short stacking energy: -86.824 Base-Backbone interact. energy: 0.711 local terms energy: -181.407785 where: bonds (distance) C4'-P energy: -59.326 bonds (distance) P-C4' energy: -49.254 flat angles C4'-P-C4' energy: -45.472 flat angles P-C4'-P energy: -33.405 tors. eta vs tors. theta energy: 6.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -893.024144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.024144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.024144 (E_RNA) where: Base-Base interactions energy: -601.176 where: short stacking energy: -271.147 Base-Backbone interact. energy: -1.458 local terms energy: -290.390790 where: bonds (distance) C4'-P energy: -64.558 bonds (distance) P-C4' energy: -67.395 flat angles C4'-P-C4' energy: -63.900 flat angles P-C4'-P energy: -31.582 tors. eta vs tors. theta energy: -62.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -737.194490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.194490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.194490 (E_RNA) where: Base-Base interactions energy: -450.533 where: short stacking energy: -240.343 Base-Backbone interact. energy: 0.099 local terms energy: -286.760587 where: bonds (distance) C4'-P energy: -65.320 bonds (distance) P-C4' energy: -65.713 flat angles C4'-P-C4' energy: -61.245 flat angles P-C4'-P energy: -44.409 tors. eta vs tors. theta energy: -50.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -719.992243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.992243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.992243 (E_RNA) where: Base-Base interactions energy: -440.917 where: short stacking energy: -217.000 Base-Backbone interact. energy: -1.068 local terms energy: -278.006779 where: bonds (distance) C4'-P energy: -64.680 bonds (distance) P-C4' energy: -63.446 flat angles C4'-P-C4' energy: -55.818 flat angles P-C4'-P energy: -51.158 tors. eta vs tors. theta energy: -42.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -700.997214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.997214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.997214 (E_RNA) where: Base-Base interactions energy: -407.757 where: short stacking energy: -201.340 Base-Backbone interact. energy: -1.918 local terms energy: -291.322274 where: bonds (distance) C4'-P energy: -63.300 bonds (distance) P-C4' energy: -69.305 flat angles C4'-P-C4' energy: -69.494 flat angles P-C4'-P energy: -35.254 tors. eta vs tors. theta energy: -53.969 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: 3 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -653.414867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.414867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.414867 (E_RNA) where: Base-Base interactions energy: -385.023 where: short stacking energy: -162.430 Base-Backbone interact. energy: -2.895 local terms energy: -265.496957 where: bonds (distance) C4'-P energy: -67.064 bonds (distance) P-C4' energy: -67.881 flat angles C4'-P-C4' energy: -59.101 flat angles P-C4'-P energy: -43.786 tors. eta vs tors. theta energy: -27.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -563.068137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.068137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.068137 (E_RNA) where: Base-Base interactions energy: -324.294 where: short stacking energy: -172.688 Base-Backbone interact. energy: 0.060 local terms energy: -238.833783 where: bonds (distance) C4'-P energy: -56.330 bonds (distance) P-C4' energy: -62.207 flat angles C4'-P-C4' energy: -58.888 flat angles P-C4'-P energy: -32.339 tors. eta vs tors. theta energy: -29.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -482.845025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.845025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.845025 (E_RNA) where: Base-Base interactions energy: -267.902 where: short stacking energy: -140.535 Base-Backbone interact. energy: 0.264 local terms energy: -215.206840 where: bonds (distance) C4'-P energy: -55.057 bonds (distance) P-C4' energy: -56.515 flat angles C4'-P-C4' energy: -60.225 flat angles P-C4'-P energy: -26.352 tors. eta vs tors. theta energy: -17.058 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: 8 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -363.143369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -363.143369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -363.143369 (E_RNA) where: Base-Base interactions energy: -191.956 where: short stacking energy: -104.311 Base-Backbone interact. energy: 0.052 local terms energy: -171.239079 where: bonds (distance) C4'-P energy: -44.330 bonds (distance) P-C4' energy: -62.988 flat angles C4'-P-C4' energy: -50.933 flat angles P-C4'-P energy: -17.404 tors. eta vs tors. theta energy: 4.416 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: 10 Temperature: 1.300000 Total energy: -375.774258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -375.774258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -375.774258 (E_RNA) where: Base-Base interactions energy: -188.683 where: short stacking energy: -125.524 Base-Backbone interact. energy: -0.740 local terms energy: -186.351309 where: bonds (distance) C4'-P energy: -62.832 bonds (distance) P-C4' energy: -57.411 flat angles C4'-P-C4' energy: -49.628 flat angles P-C4'-P energy: -15.863 tors. eta vs tors. theta energy: -0.618 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: 7 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -322.029581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.029581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.029581 (E_RNA) where: Base-Base interactions energy: -138.417 where: short stacking energy: -63.848 Base-Backbone interact. energy: -2.430 local terms energy: -181.182652 where: bonds (distance) C4'-P energy: -47.922 bonds (distance) P-C4' energy: -61.063 flat angles C4'-P-C4' energy: -53.324 flat angles P-C4'-P energy: -31.311 tors. eta vs tors. theta energy: 12.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -882.667331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.667331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.667331 (E_RNA) where: Base-Base interactions energy: -558.277 where: short stacking energy: -280.112 Base-Backbone interact. energy: 0.781 local terms energy: -325.171526 where: bonds (distance) C4'-P energy: -62.363 bonds (distance) P-C4' energy: -66.453 flat angles C4'-P-C4' energy: -72.633 flat angles P-C4'-P energy: -50.354 tors. eta vs tors. theta energy: -73.369 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: 2, replica: 2 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -757.014309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.014309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.014309 (E_RNA) where: Base-Base interactions energy: -467.521 where: short stacking energy: -219.928 Base-Backbone interact. energy: -1.574 local terms energy: -287.918761 where: bonds (distance) C4'-P energy: -65.651 bonds (distance) P-C4' energy: -70.207 flat angles C4'-P-C4' energy: -66.243 flat angles P-C4'-P energy: -44.852 tors. eta vs tors. theta energy: -40.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -769.331142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.331142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.331142 (E_RNA) where: Base-Base interactions energy: -483.081 where: short stacking energy: -238.474 Base-Backbone interact. energy: -1.064 local terms energy: -285.186744 where: bonds (distance) C4'-P energy: -59.183 bonds (distance) P-C4' energy: -55.096 flat angles C4'-P-C4' energy: -66.118 flat angles P-C4'-P energy: -43.081 tors. eta vs tors. theta energy: -61.709 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: 6 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -708.058272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.058272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.058272 (E_RNA) where: Base-Base interactions energy: -426.670 where: short stacking energy: -216.357 Base-Backbone interact. energy: -1.254 local terms energy: -280.134679 where: bonds (distance) C4'-P energy: -60.191 bonds (distance) P-C4' energy: -63.951 flat angles C4'-P-C4' energy: -63.247 flat angles P-C4'-P energy: -36.247 tors. eta vs tors. theta energy: -56.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -653.901428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.901428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.901428 (E_RNA) where: Base-Base interactions energy: -395.535 where: short stacking energy: -170.749 Base-Backbone interact. energy: 0.246 local terms energy: -258.612595 where: bonds (distance) C4'-P energy: -64.633 bonds (distance) P-C4' energy: -64.560 flat angles C4'-P-C4' energy: -67.467 flat angles P-C4'-P energy: -36.601 tors. eta vs tors. theta energy: -25.351 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: 5 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -626.241883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.241883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.241883 (E_RNA) where: Base-Base interactions energy: -369.083 where: short stacking energy: -196.716 Base-Backbone interact. energy: -1.953 local terms energy: -255.205387 where: bonds (distance) C4'-P energy: -57.403 bonds (distance) P-C4' energy: -61.985 flat angles C4'-P-C4' energy: -60.776 flat angles P-C4'-P energy: -30.121 tors. eta vs tors. theta energy: -44.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -515.678415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.678415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.678415 (E_RNA) where: Base-Base interactions energy: -282.608 where: short stacking energy: -135.073 Base-Backbone interact. energy: -1.731 local terms energy: -231.340071 where: bonds (distance) C4'-P energy: -55.188 bonds (distance) P-C4' energy: -60.253 flat angles C4'-P-C4' energy: -57.776 flat angles P-C4'-P energy: -36.072 tors. eta vs tors. theta energy: -22.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -425.366253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.366253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.366253 (E_RNA) where: Base-Base interactions energy: -233.752 where: short stacking energy: -121.628 Base-Backbone interact. energy: -0.934 local terms energy: -190.680794 where: bonds (distance) C4'-P energy: -50.476 bonds (distance) P-C4' energy: -55.026 flat angles C4'-P-C4' energy: -47.065 flat angles P-C4'-P energy: -36.361 tors. eta vs tors. theta energy: -1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -438.672065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.672065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.672065 (E_RNA) where: Base-Base interactions energy: -247.883 where: short stacking energy: -114.063 Base-Backbone interact. energy: -0.740 local terms energy: -190.049215 where: bonds (distance) C4'-P energy: -51.515 bonds (distance) P-C4' energy: -62.529 flat angles C4'-P-C4' energy: -49.157 flat angles P-C4'-P energy: -19.368 tors. eta vs tors. theta energy: -7.480 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: 10, replica: 7 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -288.609190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.609190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.609190 (E_RNA) where: Base-Base interactions energy: -99.563 where: short stacking energy: -68.556 Base-Backbone interact. energy: -1.097 local terms energy: -187.949797 where: bonds (distance) C4'-P energy: -57.000 bonds (distance) P-C4' energy: -57.604 flat angles C4'-P-C4' energy: -49.762 flat angles P-C4'-P energy: -31.414 tors. eta vs tors. theta energy: 7.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -912.787229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.787229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.787229 (E_RNA) where: Base-Base interactions energy: -553.662 where: short stacking energy: -284.584 Base-Backbone interact. energy: -0.928 local terms energy: -358.197203 where: bonds (distance) C4'-P energy: -70.927 bonds (distance) P-C4' energy: -75.995 flat angles C4'-P-C4' energy: -78.127 flat angles P-C4'-P energy: -48.644 tors. eta vs tors. theta energy: -84.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -761.250151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -761.250151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -761.250151 (E_RNA) where: Base-Base interactions energy: -476.953 where: short stacking energy: -236.416 Base-Backbone interact. energy: -0.953 local terms energy: -283.343899 where: bonds (distance) C4'-P energy: -65.264 bonds (distance) P-C4' energy: -58.935 flat angles C4'-P-C4' energy: -68.954 flat angles P-C4'-P energy: -41.689 tors. eta vs tors. theta energy: -48.502 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: 6 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -773.983609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.983609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.983609 (E_RNA) where: Base-Base interactions energy: -496.201 where: short stacking energy: -201.589 Base-Backbone interact. energy: 0.786 local terms energy: -278.568574 where: bonds (distance) C4'-P energy: -58.661 bonds (distance) P-C4' energy: -70.544 flat angles C4'-P-C4' energy: -51.643 flat angles P-C4'-P energy: -50.184 tors. eta vs tors. theta energy: -47.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -734.340775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.340775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.340775 (E_RNA) where: Base-Base interactions energy: -468.219 where: short stacking energy: -224.584 Base-Backbone interact. energy: -0.341 local terms energy: -265.780478 where: bonds (distance) C4'-P energy: -60.023 bonds (distance) P-C4' energy: -60.900 flat angles C4'-P-C4' energy: -56.478 flat angles P-C4'-P energy: -39.100 tors. eta vs tors. theta energy: -49.280 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: 3 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -653.269129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.269129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.269129 (E_RNA) where: Base-Base interactions energy: -395.561 where: short stacking energy: -196.877 Base-Backbone interact. energy: -3.138 local terms energy: -254.569977 where: bonds (distance) C4'-P energy: -47.670 bonds (distance) P-C4' energy: -63.294 flat angles C4'-P-C4' energy: -62.263 flat angles P-C4'-P energy: -37.205 tors. eta vs tors. theta energy: -44.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -601.054283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.054283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.054283 (E_RNA) where: Base-Base interactions energy: -350.182 where: short stacking energy: -180.866 Base-Backbone interact. energy: 0.970 local terms energy: -251.842057 where: bonds (distance) C4'-P energy: -62.010 bonds (distance) P-C4' energy: -48.692 flat angles C4'-P-C4' energy: -65.589 flat angles P-C4'-P energy: -43.751 tors. eta vs tors. theta energy: -31.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -524.442813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.442813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.442813 (E_RNA) where: Base-Base interactions energy: -281.390 where: short stacking energy: -143.359 Base-Backbone interact. energy: -0.909 local terms energy: -242.143487 where: bonds (distance) C4'-P energy: -60.905 bonds (distance) P-C4' energy: -62.189 flat angles C4'-P-C4' energy: -53.373 flat angles P-C4'-P energy: -34.256 tors. eta vs tors. theta energy: -31.421 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: 12 Temperature: 1.250000 Total energy: -492.295979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.295979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.295979 (E_RNA) where: Base-Base interactions energy: -298.566 where: short stacking energy: -130.090 Base-Backbone interact. energy: 0.468 local terms energy: -194.197725 where: bonds (distance) C4'-P energy: -61.645 bonds (distance) P-C4' energy: -51.974 flat angles C4'-P-C4' energy: -47.743 flat angles P-C4'-P energy: -36.356 tors. eta vs tors. theta energy: 3.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -440.804684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.804684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.804684 (E_RNA) where: Base-Base interactions energy: -238.262 where: short stacking energy: -108.392 Base-Backbone interact. energy: -2.025 local terms energy: -200.517282 where: bonds (distance) C4'-P energy: -50.878 bonds (distance) P-C4' energy: -68.129 flat angles C4'-P-C4' energy: -55.999 flat angles P-C4'-P energy: -27.909 tors. eta vs tors. theta energy: 2.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -295.946997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.946997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.946997 (E_RNA) where: Base-Base interactions energy: -112.057 where: short stacking energy: -76.817 Base-Backbone interact. energy: -1.616 local terms energy: -182.274171 where: bonds (distance) C4'-P energy: -50.047 bonds (distance) P-C4' energy: -64.467 flat angles C4'-P-C4' energy: -53.089 flat angles P-C4'-P energy: -18.740 tors. eta vs tors. theta energy: 4.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -910.562212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.562212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.562212 (E_RNA) where: Base-Base interactions energy: -593.427 where: short stacking energy: -295.226 Base-Backbone interact. energy: -1.765 local terms energy: -315.370407 where: bonds (distance) C4'-P energy: -58.603 bonds (distance) P-C4' energy: -67.658 flat angles C4'-P-C4' energy: -70.972 flat angles P-C4'-P energy: -43.235 tors. eta vs tors. theta energy: -74.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -872.647757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.647757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.647757 (E_RNA) where: Base-Base interactions energy: -566.767 where: short stacking energy: -256.106 Base-Backbone interact. energy: -3.715 local terms energy: -302.165835 where: bonds (distance) C4'-P energy: -66.475 bonds (distance) P-C4' energy: -61.293 flat angles C4'-P-C4' energy: -60.873 flat angles P-C4'-P energy: -48.416 tors. eta vs tors. theta energy: -65.109 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: 2 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -803.801104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.801104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.801104 (E_RNA) where: Base-Base interactions energy: -521.448 where: short stacking energy: -235.287 Base-Backbone interact. energy: -1.923 local terms energy: -280.429951 where: bonds (distance) C4'-P energy: -72.624 bonds (distance) P-C4' energy: -59.427 flat angles C4'-P-C4' energy: -66.942 flat angles P-C4'-P energy: -38.109 tors. eta vs tors. theta energy: -43.329 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: 13 Temperature: 1.050000 Total energy: -730.272955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.272955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.272955 (E_RNA) where: Base-Base interactions energy: -436.840 where: short stacking energy: -206.034 Base-Backbone interact. energy: -1.711 local terms energy: -291.721106 where: bonds (distance) C4'-P energy: -69.342 bonds (distance) P-C4' energy: -65.272 flat angles C4'-P-C4' energy: -61.877 flat angles P-C4'-P energy: -43.955 tors. eta vs tors. theta energy: -51.276 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: 5, replica: 4 ===================================== Write number: 13 Temperature: 1.100000 Total energy: -666.907942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.907942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.907942 (E_RNA) where: Base-Base interactions energy: -423.757 where: short stacking energy: -194.468 Base-Backbone interact. energy: 0.959 local terms energy: -244.110474 where: bonds (distance) C4'-P energy: -49.324 bonds (distance) P-C4' energy: -53.240 flat angles C4'-P-C4' energy: -60.013 flat angles P-C4'-P energy: -39.414 tors. eta vs tors. theta energy: -42.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -639.849946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.849946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.849946 (E_RNA) where: Base-Base interactions energy: -395.176 where: short stacking energy: -189.488 Base-Backbone interact. energy: 2.779 local terms energy: -247.452784 where: bonds (distance) C4'-P energy: -61.319 bonds (distance) P-C4' energy: -68.009 flat angles C4'-P-C4' energy: -62.487 flat angles P-C4'-P energy: -33.699 tors. eta vs tors. theta energy: -21.939 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: 13 Temperature: 1.200000 Total energy: -531.399127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.399127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.399127 (E_RNA) where: Base-Base interactions energy: -298.892 where: short stacking energy: -139.897 Base-Backbone interact. energy: 0.312 local terms energy: -232.818796 where: bonds (distance) C4'-P energy: -52.411 bonds (distance) P-C4' energy: -70.327 flat angles C4'-P-C4' energy: -45.280 flat angles P-C4'-P energy: -35.311 tors. eta vs tors. theta energy: -29.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -525.111346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.111346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.111346 (E_RNA) where: Base-Base interactions energy: -319.799 where: short stacking energy: -177.090 Base-Backbone interact. energy: 4.016 local terms energy: -209.328681 where: bonds (distance) C4'-P energy: -46.622 bonds (distance) P-C4' energy: -57.096 flat angles C4'-P-C4' energy: -48.298 flat angles P-C4'-P energy: -26.785 tors. eta vs tors. theta energy: -30.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -435.447784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.447784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.447784 (E_RNA) where: Base-Base interactions energy: -233.539 where: short stacking energy: -126.944 Base-Backbone interact. energy: -1.687 local terms energy: -200.221208 where: bonds (distance) C4'-P energy: -41.475 bonds (distance) P-C4' energy: -52.113 flat angles C4'-P-C4' energy: -59.359 flat angles P-C4'-P energy: -37.377 tors. eta vs tors. theta energy: -9.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -268.643574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.643574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.643574 (E_RNA) where: Base-Base interactions energy: -78.644 where: short stacking energy: -54.595 Base-Backbone interact. energy: -1.399 local terms energy: -188.601223 where: bonds (distance) C4'-P energy: -51.572 bonds (distance) P-C4' energy: -56.576 flat angles C4'-P-C4' energy: -62.700 flat angles P-C4'-P energy: -31.855 tors. eta vs tors. theta energy: 14.102 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: 1, replica: 6 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -912.340593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.340593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.340593 (E_RNA) where: Base-Base interactions energy: -594.671 where: short stacking energy: -267.965 Base-Backbone interact. energy: -1.326 local terms energy: -316.343418 where: bonds (distance) C4'-P energy: -65.156 bonds (distance) P-C4' energy: -75.226 flat angles C4'-P-C4' energy: -70.667 flat angles P-C4'-P energy: -36.866 tors. eta vs tors. theta energy: -68.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -858.457662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.457662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.457662 (E_RNA) where: Base-Base interactions energy: -552.803 where: short stacking energy: -253.115 Base-Backbone interact. energy: -1.065 local terms energy: -304.589460 where: bonds (distance) C4'-P energy: -57.472 bonds (distance) P-C4' energy: -76.588 flat angles C4'-P-C4' energy: -68.176 flat angles P-C4'-P energy: -39.928 tors. eta vs tors. theta energy: -62.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -806.013812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.013812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.013812 (E_RNA) where: Base-Base interactions energy: -532.853 where: short stacking energy: -231.761 Base-Backbone interact. energy: -0.597 local terms energy: -272.563339 where: bonds (distance) C4'-P energy: -60.517 bonds (distance) P-C4' energy: -65.172 flat angles C4'-P-C4' energy: -60.180 flat angles P-C4'-P energy: -43.406 tors. eta vs tors. theta energy: -43.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -741.597401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.597401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.597401 (E_RNA) where: Base-Base interactions energy: -461.353 where: short stacking energy: -226.437 Base-Backbone interact. energy: -2.783 local terms energy: -277.460580 where: bonds (distance) C4'-P energy: -54.427 bonds (distance) P-C4' energy: -70.612 flat angles C4'-P-C4' energy: -55.213 flat angles P-C4'-P energy: -42.188 tors. eta vs tors. theta energy: -55.020 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: 5, replica: 4 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -610.760730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.760730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.760730 (E_RNA) where: Base-Base interactions energy: -357.439 where: short stacking energy: -184.119 Base-Backbone interact. energy: 2.182 local terms energy: -255.503683 where: bonds (distance) C4'-P energy: -70.950 bonds (distance) P-C4' energy: -62.505 flat angles C4'-P-C4' energy: -60.862 flat angles P-C4'-P energy: -38.979 tors. eta vs tors. theta energy: -22.208 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: 6, replica: 5 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -616.821801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.821801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.821801 (E_RNA) where: Base-Base interactions energy: -373.436 where: short stacking energy: -192.877 Base-Backbone interact. energy: -1.887 local terms energy: -241.499151 where: bonds (distance) C4'-P energy: -59.722 bonds (distance) P-C4' energy: -63.203 flat angles C4'-P-C4' energy: -52.670 flat angles P-C4'-P energy: -34.262 tors. eta vs tors. theta energy: -31.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -559.604121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.604121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.604121 (E_RNA) where: Base-Base interactions energy: -326.319 where: short stacking energy: -176.526 Base-Backbone interact. energy: -1.465 local terms energy: -231.819853 where: bonds (distance) C4'-P energy: -60.698 bonds (distance) P-C4' energy: -50.712 flat angles C4'-P-C4' energy: -61.174 flat angles P-C4'-P energy: -36.778 tors. eta vs tors. theta energy: -22.458 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: 9 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -481.613863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.613863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.613863 (E_RNA) where: Base-Base interactions energy: -284.816 where: short stacking energy: -146.148 Base-Backbone interact. energy: 0.422 local terms energy: -197.220076 where: bonds (distance) C4'-P energy: -59.613 bonds (distance) P-C4' energy: -47.314 flat angles C4'-P-C4' energy: -42.065 flat angles P-C4'-P energy: -32.559 tors. eta vs tors. theta energy: -15.669 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: 8 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -383.294521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.294521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.294521 (E_RNA) where: Base-Base interactions energy: -186.985 where: short stacking energy: -115.711 Base-Backbone interact. energy: 1.958 local terms energy: -198.267459 where: bonds (distance) C4'-P energy: -57.973 bonds (distance) P-C4' energy: -51.680 flat angles C4'-P-C4' energy: -55.596 flat angles P-C4'-P energy: -24.188 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: 10, replica: 7 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -261.133647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -261.133647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -261.133647 (E_RNA) where: Base-Base interactions energy: -115.108 where: short stacking energy: -91.623 Base-Backbone interact. energy: -2.189 local terms energy: -143.836656 where: bonds (distance) C4'-P energy: -51.262 bonds (distance) P-C4' energy: -43.455 flat angles C4'-P-C4' energy: -50.494 flat angles P-C4'-P energy: -10.911 tors. eta vs tors. theta energy: 12.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -921.460221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.460221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.460221 (E_RNA) where: Base-Base interactions energy: -602.372 where: short stacking energy: -276.435 Base-Backbone interact. energy: -2.923 local terms energy: -316.165197 where: bonds (distance) C4'-P energy: -65.252 bonds (distance) P-C4' energy: -78.389 flat angles C4'-P-C4' energy: -54.824 flat angles P-C4'-P energy: -41.778 tors. eta vs tors. theta energy: -75.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -865.471311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.471311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.471311 (E_RNA) where: Base-Base interactions energy: -547.578 where: short stacking energy: -284.908 Base-Backbone interact. energy: 0.541 local terms energy: -318.434712 where: bonds (distance) C4'-P energy: -63.562 bonds (distance) P-C4' energy: -68.251 flat angles C4'-P-C4' energy: -67.669 flat angles P-C4'-P energy: -47.477 tors. eta vs tors. theta energy: -71.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -742.495882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.495882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.495882 (E_RNA) where: Base-Base interactions energy: -463.162 where: short stacking energy: -201.170 Base-Backbone interact. energy: -3.753 local terms energy: -275.580706 where: bonds (distance) C4'-P energy: -63.478 bonds (distance) P-C4' energy: -65.612 flat angles C4'-P-C4' energy: -60.312 flat angles P-C4'-P energy: -50.435 tors. eta vs tors. theta energy: -35.744 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: 15 Temperature: 1.050000 Total energy: -810.195906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.195906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.195906 (E_RNA) where: Base-Base interactions energy: -526.468 where: short stacking energy: -231.464 Base-Backbone interact. energy: -3.362 local terms energy: -280.365812 where: bonds (distance) C4'-P energy: -58.827 bonds (distance) P-C4' energy: -60.276 flat angles C4'-P-C4' energy: -63.572 flat angles P-C4'-P energy: -44.743 tors. eta vs tors. theta energy: -52.949 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: 5, replica: 4 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -663.636245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.636245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.636245 (E_RNA) where: Base-Base interactions energy: -405.917 where: short stacking energy: -207.446 Base-Backbone interact. energy: -0.281 local terms energy: -257.438035 where: bonds (distance) C4'-P energy: -59.229 bonds (distance) P-C4' energy: -59.734 flat angles C4'-P-C4' energy: -62.788 flat angles P-C4'-P energy: -35.460 tors. eta vs tors. theta energy: -40.228 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: 10 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -575.612291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.612291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.612291 (E_RNA) where: Base-Base interactions energy: -339.225 where: short stacking energy: -158.746 Base-Backbone interact. energy: -0.425 local terms energy: -235.961467 where: bonds (distance) C4'-P energy: -49.614 bonds (distance) P-C4' energy: -61.613 flat angles C4'-P-C4' energy: -62.822 flat angles P-C4'-P energy: -39.713 tors. eta vs tors. theta energy: -22.200 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: 5 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -546.026121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.026121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.026121 (E_RNA) where: Base-Base interactions energy: -316.947 where: short stacking energy: -175.896 Base-Backbone interact. energy: 2.981 local terms energy: -232.060832 where: bonds (distance) C4'-P energy: -57.830 bonds (distance) P-C4' energy: -60.658 flat angles C4'-P-C4' energy: -59.918 flat angles P-C4'-P energy: -24.060 tors. eta vs tors. theta energy: -29.594 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: 8, replica: 9 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -472.298206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.298206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.298206 (E_RNA) where: Base-Base interactions energy: -252.562 where: short stacking energy: -133.783 Base-Backbone interact. energy: -1.659 local terms energy: -218.077023 where: bonds (distance) C4'-P energy: -63.483 bonds (distance) P-C4' energy: -46.248 flat angles C4'-P-C4' energy: -53.803 flat angles P-C4'-P energy: -38.066 tors. eta vs tors. theta energy: -16.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -533.615123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.615123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.615123 (E_RNA) where: Base-Base interactions energy: -330.850 where: short stacking energy: -162.081 Base-Backbone interact. energy: -1.037 local terms energy: -201.728261 where: bonds (distance) C4'-P energy: -44.199 bonds (distance) P-C4' energy: -44.770 flat angles C4'-P-C4' energy: -53.278 flat angles P-C4'-P energy: -38.975 tors. eta vs tors. theta energy: -20.506 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: 7 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -312.468374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.468374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.468374 (E_RNA) where: Base-Base interactions energy: -139.674 where: short stacking energy: -81.351 Base-Backbone interact. energy: -3.205 local terms energy: -169.589329 where: bonds (distance) C4'-P energy: -48.430 bonds (distance) P-C4' energy: -64.097 flat angles C4'-P-C4' energy: -36.726 flat angles P-C4'-P energy: -27.433 tors. eta vs tors. theta energy: 7.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -942.154851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.154851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.154851 (E_RNA) where: Base-Base interactions energy: -619.551 where: short stacking energy: -269.598 Base-Backbone interact. energy: -2.504 local terms energy: -320.099876 where: bonds (distance) C4'-P energy: -67.734 bonds (distance) P-C4' energy: -64.824 flat angles C4'-P-C4' energy: -62.406 flat angles P-C4'-P energy: -47.318 tors. eta vs tors. theta energy: -77.818 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: 1 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -856.162862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.162862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.162862 (E_RNA) where: Base-Base interactions energy: -552.347 where: short stacking energy: -256.200 Base-Backbone interact. energy: -3.081 local terms energy: -300.735415 where: bonds (distance) C4'-P energy: -56.261 bonds (distance) P-C4' energy: -70.271 flat angles C4'-P-C4' energy: -65.244 flat angles P-C4'-P energy: -45.252 tors. eta vs tors. theta energy: -63.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -863.791874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.791874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.791874 (E_RNA) where: Base-Base interactions energy: -560.607 where: short stacking energy: -260.120 Base-Backbone interact. energy: -0.538 local terms energy: -302.646764 where: bonds (distance) C4'-P energy: -60.073 bonds (distance) P-C4' energy: -66.747 flat angles C4'-P-C4' energy: -61.894 flat angles P-C4'-P energy: -47.807 tors. eta vs tors. theta energy: -66.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -745.642036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.642036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.642036 (E_RNA) where: Base-Base interactions energy: -476.189 where: short stacking energy: -216.720 Base-Backbone interact. energy: 0.846 local terms energy: -270.298487 where: bonds (distance) C4'-P energy: -58.928 bonds (distance) P-C4' energy: -62.643 flat angles C4'-P-C4' energy: -67.954 flat angles P-C4'-P energy: -39.632 tors. eta vs tors. theta energy: -41.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -644.915052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.915052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.915052 (E_RNA) where: Base-Base interactions energy: -367.167 where: short stacking energy: -198.529 Base-Backbone interact. energy: 0.771 local terms energy: -278.519507 where: bonds (distance) C4'-P energy: -57.801 bonds (distance) P-C4' energy: -63.319 flat angles C4'-P-C4' energy: -71.123 flat angles P-C4'-P energy: -37.213 tors. eta vs tors. theta energy: -49.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -606.074452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.074452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.074452 (E_RNA) where: Base-Base interactions energy: -383.403 where: short stacking energy: -167.996 Base-Backbone interact. energy: -2.674 local terms energy: -219.998081 where: bonds (distance) C4'-P energy: -62.914 bonds (distance) P-C4' energy: -53.425 flat angles C4'-P-C4' energy: -54.221 flat angles P-C4'-P energy: -32.188 tors. eta vs tors. theta energy: -17.251 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: 5 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -546.222749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.222749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.222749 (E_RNA) where: Base-Base interactions energy: -321.486 where: short stacking energy: -163.331 Base-Backbone interact. energy: -2.419 local terms energy: -222.317551 where: bonds (distance) C4'-P energy: -54.245 bonds (distance) P-C4' energy: -51.048 flat angles C4'-P-C4' energy: -57.849 flat angles P-C4'-P energy: -36.240 tors. eta vs tors. theta energy: -22.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -441.353407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.353407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.353407 (E_RNA) where: Base-Base interactions energy: -225.715 where: short stacking energy: -114.735 Base-Backbone interact. energy: -4.139 local terms energy: -211.500058 where: bonds (distance) C4'-P energy: -54.788 bonds (distance) P-C4' energy: -52.342 flat angles C4'-P-C4' energy: -56.818 flat angles P-C4'-P energy: -43.820 tors. eta vs tors. theta energy: -3.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -504.307282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.307282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.307282 (E_RNA) where: Base-Base interactions energy: -314.072 where: short stacking energy: -110.888 Base-Backbone interact. energy: -1.546 local terms energy: -188.688884 where: bonds (distance) C4'-P energy: -41.299 bonds (distance) P-C4' energy: -51.292 flat angles C4'-P-C4' energy: -60.880 flat angles P-C4'-P energy: -38.561 tors. eta vs tors. theta energy: 3.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -287.432096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.432096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.432096 (E_RNA) where: Base-Base interactions energy: -95.052 where: short stacking energy: -65.693 Base-Backbone interact. energy: 2.364 local terms energy: -194.743822 where: bonds (distance) C4'-P energy: -53.893 bonds (distance) P-C4' energy: -56.298 flat angles C4'-P-C4' energy: -53.099 flat angles P-C4'-P energy: -36.037 tors. eta vs tors. theta energy: 4.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -918.275418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.275418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.275418 (E_RNA) where: Base-Base interactions energy: -610.286 where: short stacking energy: -239.134 Base-Backbone interact. energy: -2.619 local terms energy: -305.369985 where: bonds (distance) C4'-P energy: -74.981 bonds (distance) P-C4' energy: -62.323 flat angles C4'-P-C4' energy: -64.120 flat angles P-C4'-P energy: -41.976 tors. eta vs tors. theta energy: -61.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -896.754183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.754183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.754183 (E_RNA) where: Base-Base interactions energy: -574.920 where: short stacking energy: -267.695 Base-Backbone interact. energy: -2.273 local terms energy: -319.560991 where: bonds (distance) C4'-P energy: -61.155 bonds (distance) P-C4' energy: -70.668 flat angles C4'-P-C4' energy: -68.591 flat angles P-C4'-P energy: -43.483 tors. eta vs tors. theta energy: -75.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -801.981797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.981797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.981797 (E_RNA) where: Base-Base interactions energy: -516.563 where: short stacking energy: -240.353 Base-Backbone interact. energy: 1.894 local terms energy: -287.313767 where: bonds (distance) C4'-P energy: -57.359 bonds (distance) P-C4' energy: -68.247 flat angles C4'-P-C4' energy: -63.992 flat angles P-C4'-P energy: -32.166 tors. eta vs tors. theta energy: -65.550 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: 2 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -727.463142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.463142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.463142 (E_RNA) where: Base-Base interactions energy: -466.826 where: short stacking energy: -201.001 Base-Backbone interact. energy: -3.725 local terms energy: -256.912494 where: bonds (distance) C4'-P energy: -58.495 bonds (distance) P-C4' energy: -64.864 flat angles C4'-P-C4' energy: -59.571 flat angles P-C4'-P energy: -40.584 tors. eta vs tors. theta energy: -33.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -657.641269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.641269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.641269 (E_RNA) where: Base-Base interactions energy: -381.075 where: short stacking energy: -199.573 Base-Backbone interact. energy: -0.647 local terms energy: -275.919533 where: bonds (distance) C4'-P energy: -56.315 bonds (distance) P-C4' energy: -71.837 flat angles C4'-P-C4' energy: -60.281 flat angles P-C4'-P energy: -45.494 tors. eta vs tors. theta energy: -41.992 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: 6, replica: 5 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -637.809681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.809681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.809681 (E_RNA) where: Base-Base interactions energy: -395.603 where: short stacking energy: -173.206 Base-Backbone interact. energy: -2.752 local terms energy: -239.454224 where: bonds (distance) C4'-P energy: -62.879 bonds (distance) P-C4' energy: -51.852 flat angles C4'-P-C4' energy: -60.722 flat angles P-C4'-P energy: -29.511 tors. eta vs tors. theta energy: -34.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 17 Temperature: 1.200000 Total energy: -559.589635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.589635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.589635 (E_RNA) where: Base-Base interactions energy: -327.517 where: short stacking energy: -167.314 Base-Backbone interact. energy: -1.165 local terms energy: -230.907851 where: bonds (distance) C4'-P energy: -61.706 bonds (distance) P-C4' energy: -67.236 flat angles C4'-P-C4' energy: -55.338 flat angles P-C4'-P energy: -15.783 tors. eta vs tors. theta energy: -30.845 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: 8 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -513.450676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.450676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.450676 (E_RNA) where: Base-Base interactions energy: -305.949 where: short stacking energy: -143.565 Base-Backbone interact. energy: 1.122 local terms energy: -208.623356 where: bonds (distance) C4'-P energy: -52.237 bonds (distance) P-C4' energy: -57.690 flat angles C4'-P-C4' energy: -52.300 flat angles P-C4'-P energy: -33.113 tors. eta vs tors. theta energy: -13.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -481.637076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.637076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.637076 (E_RNA) where: Base-Base interactions energy: -288.754 where: short stacking energy: -138.687 Base-Backbone interact. energy: 2.612 local terms energy: -195.494554 where: bonds (distance) C4'-P energy: -49.538 bonds (distance) P-C4' energy: -58.720 flat angles C4'-P-C4' energy: -43.695 flat angles P-C4'-P energy: -23.465 tors. eta vs tors. theta energy: -20.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -305.009244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -305.009244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -305.009244 (E_RNA) where: Base-Base interactions energy: -134.610 where: short stacking energy: -105.633 Base-Backbone interact. energy: -0.031 local terms energy: -170.368264 where: bonds (distance) C4'-P energy: -49.058 bonds (distance) P-C4' energy: -56.499 flat angles C4'-P-C4' energy: -50.276 flat angles P-C4'-P energy: -21.610 tors. eta vs tors. theta energy: 7.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -975.183796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.183796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.183796 (E_RNA) where: Base-Base interactions energy: -642.273 where: short stacking energy: -262.445 Base-Backbone interact. energy: -0.855 local terms energy: -332.055129 where: bonds (distance) C4'-P energy: -63.118 bonds (distance) P-C4' energy: -73.058 flat angles C4'-P-C4' energy: -68.121 flat angles P-C4'-P energy: -47.030 tors. eta vs tors. theta energy: -80.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -900.339446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.339446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.339446 (E_RNA) where: Base-Base interactions energy: -593.288 where: short stacking energy: -251.427 Base-Backbone interact. energy: -1.559 local terms energy: -305.492524 where: bonds (distance) C4'-P energy: -67.143 bonds (distance) P-C4' energy: -69.955 flat angles C4'-P-C4' energy: -60.796 flat angles P-C4'-P energy: -45.535 tors. eta vs tors. theta energy: -62.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -834.985990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.985990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.985990 (E_RNA) where: Base-Base interactions energy: -514.715 where: short stacking energy: -244.205 Base-Backbone interact. energy: -2.142 local terms energy: -318.128879 where: bonds (distance) C4'-P energy: -64.145 bonds (distance) P-C4' energy: -71.592 flat angles C4'-P-C4' energy: -72.528 flat angles P-C4'-P energy: -42.319 tors. eta vs tors. theta energy: -67.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -739.482441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.482441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.482441 (E_RNA) where: Base-Base interactions energy: -480.335 where: short stacking energy: -224.497 Base-Backbone interact. energy: 0.835 local terms energy: -259.982357 where: bonds (distance) C4'-P energy: -53.278 bonds (distance) P-C4' energy: -53.726 flat angles C4'-P-C4' energy: -66.335 flat angles P-C4'-P energy: -42.330 tors. eta vs tors. theta energy: -44.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -624.222282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.222282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.222282 (E_RNA) where: Base-Base interactions energy: -361.435 where: short stacking energy: -179.284 Base-Backbone interact. energy: -1.158 local terms energy: -261.629829 where: bonds (distance) C4'-P energy: -62.692 bonds (distance) P-C4' energy: -58.825 flat angles C4'-P-C4' energy: -64.203 flat angles P-C4'-P energy: -45.872 tors. eta vs tors. theta energy: -30.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -603.340067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.340067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.340067 (E_RNA) where: Base-Base interactions energy: -387.565 where: short stacking energy: -183.237 Base-Backbone interact. energy: -2.032 local terms energy: -213.743058 where: bonds (distance) C4'-P energy: -39.315 bonds (distance) P-C4' energy: -54.743 flat angles C4'-P-C4' energy: -50.990 flat angles P-C4'-P energy: -38.718 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: 7, replica: 10 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -602.621039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.621039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.621039 (E_RNA) where: Base-Base interactions energy: -355.154 where: short stacking energy: -179.618 Base-Backbone interact. energy: -4.147 local terms energy: -243.319948 where: bonds (distance) C4'-P energy: -60.551 bonds (distance) P-C4' energy: -58.820 flat angles C4'-P-C4' energy: -58.884 flat angles P-C4'-P energy: -30.686 tors. eta vs tors. theta energy: -34.379 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: 8 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -577.293884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.293884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.293884 (E_RNA) where: Base-Base interactions energy: -333.908 where: short stacking energy: -177.489 Base-Backbone interact. energy: -0.720 local terms energy: -242.665990 where: bonds (distance) C4'-P energy: -54.343 bonds (distance) P-C4' energy: -63.171 flat angles C4'-P-C4' energy: -54.231 flat angles P-C4'-P energy: -36.283 tors. eta vs tors. theta energy: -34.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -495.711060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.711060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.711060 (E_RNA) where: Base-Base interactions energy: -318.011 where: short stacking energy: -150.256 Base-Backbone interact. energy: -0.663 local terms energy: -177.036460 where: bonds (distance) C4'-P energy: -46.524 bonds (distance) P-C4' energy: -49.498 flat angles C4'-P-C4' energy: -54.464 flat angles P-C4'-P energy: -17.109 tors. eta vs tors. theta energy: -9.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -383.303871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -383.303871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -383.303871 (E_RNA) where: Base-Base interactions energy: -177.108 where: short stacking energy: -100.879 Base-Backbone interact. energy: -1.568 local terms energy: -204.627393 where: bonds (distance) C4'-P energy: -61.324 bonds (distance) P-C4' energy: -62.756 flat angles C4'-P-C4' energy: -53.602 flat angles P-C4'-P energy: -25.317 tors. eta vs tors. theta energy: -1.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 19 Temperature: 0.900000 Total energy: -1012.894821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.894821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.894821 (E_RNA) where: Base-Base interactions energy: -679.533 where: short stacking energy: -293.722 Base-Backbone interact. energy: -1.356 local terms energy: -332.005745 where: bonds (distance) C4'-P energy: -58.489 bonds (distance) P-C4' energy: -68.622 flat angles C4'-P-C4' energy: -77.768 flat angles P-C4'-P energy: -48.617 tors. eta vs tors. theta energy: -78.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -879.836889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.836889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.836889 (E_RNA) where: Base-Base interactions energy: -578.180 where: short stacking energy: -256.852 Base-Backbone interact. energy: -1.574 local terms energy: -300.083076 where: bonds (distance) C4'-P energy: -61.588 bonds (distance) P-C4' energy: -59.839 flat angles C4'-P-C4' energy: -71.210 flat angles P-C4'-P energy: -48.110 tors. eta vs tors. theta energy: -59.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -856.507843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.507843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.507843 (E_RNA) where: Base-Base interactions energy: -531.663 where: short stacking energy: -255.242 Base-Backbone interact. energy: -0.576 local terms energy: -324.269528 where: bonds (distance) C4'-P energy: -62.553 bonds (distance) P-C4' energy: -72.242 flat angles C4'-P-C4' energy: -70.786 flat angles P-C4'-P energy: -43.828 tors. eta vs tors. theta energy: -74.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -692.428087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.428087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.428087 (E_RNA) where: Base-Base interactions energy: -439.087 where: short stacking energy: -208.904 Base-Backbone interact. energy: -1.603 local terms energy: -251.737725 where: bonds (distance) C4'-P energy: -49.782 bonds (distance) P-C4' energy: -72.481 flat angles C4'-P-C4' energy: -59.513 flat angles P-C4'-P energy: -32.718 tors. eta vs tors. theta energy: -37.244 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: 19 Temperature: 1.100000 Total energy: -631.685983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.685983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.685983 (E_RNA) where: Base-Base interactions energy: -389.633 where: short stacking energy: -198.695 Base-Backbone interact. energy: -3.477 local terms energy: -238.576170 where: bonds (distance) C4'-P energy: -61.193 bonds (distance) P-C4' energy: -52.221 flat angles C4'-P-C4' energy: -53.798 flat angles P-C4'-P energy: -33.101 tors. eta vs tors. theta energy: -38.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 19 Temperature: 1.150000 Total energy: -607.243193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.243193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.243193 (E_RNA) where: Base-Base interactions energy: -378.533 where: short stacking energy: -169.120 Base-Backbone interact. energy: 0.985 local terms energy: -229.695533 where: bonds (distance) C4'-P energy: -58.828 bonds (distance) P-C4' energy: -58.233 flat angles C4'-P-C4' energy: -41.266 flat angles P-C4'-P energy: -39.528 tors. eta vs tors. theta energy: -31.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -586.492835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.492835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.492835 (E_RNA) where: Base-Base interactions energy: -342.456 where: short stacking energy: -166.950 Base-Backbone interact. energy: -1.515 local terms energy: -242.521422 where: bonds (distance) C4'-P energy: -46.696 bonds (distance) P-C4' energy: -66.898 flat angles C4'-P-C4' energy: -58.864 flat angles P-C4'-P energy: -43.923 tors. eta vs tors. theta energy: -26.141 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: 19 Temperature: 1.250000 Total energy: -556.937868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.937868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.937868 (E_RNA) where: Base-Base interactions energy: -325.192 where: short stacking energy: -153.680 Base-Backbone interact. energy: 1.144 local terms energy: -232.889255 where: bonds (distance) C4'-P energy: -49.158 bonds (distance) P-C4' energy: -71.658 flat angles C4'-P-C4' energy: -61.298 flat angles P-C4'-P energy: -34.354 tors. eta vs tors. theta energy: -16.422 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: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -442.151893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.151893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.151893 (E_RNA) where: Base-Base interactions energy: -232.668 where: short stacking energy: -132.595 Base-Backbone interact. energy: 1.685 local terms energy: -211.168015 where: bonds (distance) C4'-P energy: -60.731 bonds (distance) P-C4' energy: -47.767 flat angles C4'-P-C4' energy: -45.656 flat angles P-C4'-P energy: -44.528 tors. eta vs tors. theta energy: -12.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -367.132140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -367.132140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -367.132140 (E_RNA) where: Base-Base interactions energy: -162.670 where: short stacking energy: -114.134 Base-Backbone interact. energy: 0.446 local terms energy: -204.908033 where: bonds (distance) C4'-P energy: -60.747 bonds (distance) P-C4' energy: -59.246 flat angles C4'-P-C4' energy: -53.115 flat angles P-C4'-P energy: -21.622 tors. eta vs tors. theta energy: -10.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -1024.353691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.353691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.353691 (E_RNA) where: Base-Base interactions energy: -686.319 where: short stacking energy: -294.883 Base-Backbone interact. energy: -1.615 local terms energy: -336.419241 where: bonds (distance) C4'-P energy: -72.117 bonds (distance) P-C4' energy: -59.120 flat angles C4'-P-C4' energy: -70.692 flat angles P-C4'-P energy: -49.118 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: 2, replica: 6 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -892.718851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.718851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.718851 (E_RNA) where: Base-Base interactions energy: -587.833 where: short stacking energy: -253.942 Base-Backbone interact. energy: -0.459 local terms energy: -304.426463 where: bonds (distance) C4'-P energy: -66.357 bonds (distance) P-C4' energy: -70.642 flat angles C4'-P-C4' energy: -70.843 flat angles P-C4'-P energy: -37.822 tors. eta vs tors. theta energy: -58.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -810.280718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.280718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.280718 (E_RNA) where: Base-Base interactions energy: -538.275 where: short stacking energy: -252.039 Base-Backbone interact. energy: -1.705 local terms energy: -270.300792 where: bonds (distance) C4'-P energy: -63.072 bonds (distance) P-C4' energy: -40.149 flat angles C4'-P-C4' energy: -60.519 flat angles P-C4'-P energy: -48.723 tors. eta vs tors. theta energy: -57.837 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: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -741.367609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.367609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.367609 (E_RNA) where: Base-Base interactions energy: -456.420 where: short stacking energy: -222.112 Base-Backbone interact. energy: 4.773 local terms energy: -289.721204 where: bonds (distance) C4'-P energy: -53.956 bonds (distance) P-C4' energy: -67.547 flat angles C4'-P-C4' energy: -74.948 flat angles P-C4'-P energy: -46.660 tors. eta vs tors. theta energy: -46.611 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: 5 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -641.065841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.065841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.065841 (E_RNA) where: Base-Base interactions energy: -384.060 where: short stacking energy: -209.585 Base-Backbone interact. energy: -1.515 local terms energy: -255.491430 where: bonds (distance) C4'-P energy: -63.673 bonds (distance) P-C4' energy: -50.255 flat angles C4'-P-C4' energy: -61.270 flat angles P-C4'-P energy: -36.383 tors. eta vs tors. theta energy: -43.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -616.856334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.856334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.856334 (E_RNA) where: Base-Base interactions energy: -361.305 where: short stacking energy: -194.142 Base-Backbone interact. energy: 1.975 local terms energy: -257.525924 where: bonds (distance) C4'-P energy: -49.388 bonds (distance) P-C4' energy: -57.781 flat angles C4'-P-C4' energy: -62.936 flat angles P-C4'-P energy: -41.849 tors. eta vs tors. theta energy: -45.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -559.138943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.138943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.138943 (E_RNA) where: Base-Base interactions energy: -327.236 where: short stacking energy: -175.547 Base-Backbone interact. energy: 7.296 local terms energy: -239.198678 where: bonds (distance) C4'-P energy: -62.086 bonds (distance) P-C4' energy: -62.266 flat angles C4'-P-C4' energy: -53.564 flat angles P-C4'-P energy: -40.193 tors. eta vs tors. theta energy: -21.089 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: 10 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -609.217416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.217416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.217416 (E_RNA) where: Base-Base interactions energy: -355.066 where: short stacking energy: -188.030 Base-Backbone interact. energy: 0.350 local terms energy: -254.501795 where: bonds (distance) C4'-P energy: -55.564 bonds (distance) P-C4' energy: -56.387 flat angles C4'-P-C4' energy: -60.887 flat angles P-C4'-P energy: -38.349 tors. eta vs tors. theta energy: -43.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -453.383420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.383420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.383420 (E_RNA) where: Base-Base interactions energy: -241.527 where: short stacking energy: -126.231 Base-Backbone interact. energy: -1.574 local terms energy: -210.282876 where: bonds (distance) C4'-P energy: -55.804 bonds (distance) P-C4' energy: -52.162 flat angles C4'-P-C4' energy: -53.671 flat angles P-C4'-P energy: -22.836 tors. eta vs tors. theta energy: -25.810 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: 7 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -388.960957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.960957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.960957 (E_RNA) where: Base-Base interactions energy: -217.204 where: short stacking energy: -131.589 Base-Backbone interact. energy: 10.727 local terms energy: -182.483402 where: bonds (distance) C4'-P energy: -49.662 bonds (distance) P-C4' energy: -61.156 flat angles C4'-P-C4' energy: -36.281 flat angles P-C4'-P energy: -34.315 tors. eta vs tors. theta energy: -1.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -1025.563167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.563167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.563167 (E_RNA) where: Base-Base interactions energy: -688.577 where: short stacking energy: -269.201 Base-Backbone interact. energy: -0.866 local terms energy: -336.120274 where: bonds (distance) C4'-P energy: -66.194 bonds (distance) P-C4' energy: -69.483 flat angles C4'-P-C4' energy: -71.693 flat angles P-C4'-P energy: -52.440 tors. eta vs tors. theta energy: -76.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -906.949203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.949203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.949203 (E_RNA) where: Base-Base interactions energy: -590.643 where: short stacking energy: -252.102 Base-Backbone interact. energy: -2.457 local terms energy: -313.849510 where: bonds (distance) C4'-P energy: -63.152 bonds (distance) P-C4' energy: -61.487 flat angles C4'-P-C4' energy: -73.602 flat angles P-C4'-P energy: -49.767 tors. eta vs tors. theta energy: -65.841 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: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -852.720280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.720280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.720280 (E_RNA) where: Base-Base interactions energy: -562.321 where: short stacking energy: -252.250 Base-Backbone interact. energy: 0.013 local terms energy: -290.412842 where: bonds (distance) C4'-P energy: -52.725 bonds (distance) P-C4' energy: -64.361 flat angles C4'-P-C4' energy: -67.623 flat angles P-C4'-P energy: -41.508 tors. eta vs tors. theta energy: -64.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -758.217004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.217004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.217004 (E_RNA) where: Base-Base interactions energy: -475.709 where: short stacking energy: -212.180 Base-Backbone interact. energy: -1.667 local terms energy: -280.841479 where: bonds (distance) C4'-P energy: -46.303 bonds (distance) P-C4' energy: -67.392 flat angles C4'-P-C4' energy: -73.385 flat angles P-C4'-P energy: -43.784 tors. eta vs tors. theta energy: -49.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -674.311777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.311777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.311777 (E_RNA) where: Base-Base interactions energy: -399.888 where: short stacking energy: -201.984 Base-Backbone interact. energy: -1.378 local terms energy: -273.044949 where: bonds (distance) C4'-P energy: -54.167 bonds (distance) P-C4' energy: -63.720 flat angles C4'-P-C4' energy: -60.068 flat angles P-C4'-P energy: -46.036 tors. eta vs tors. theta energy: -49.055 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: 6, replica: 8 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -556.318819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.318819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.318819 (E_RNA) where: Base-Base interactions energy: -333.419 where: short stacking energy: -184.870 Base-Backbone interact. energy: -1.576 local terms energy: -221.324306 where: bonds (distance) C4'-P energy: -46.521 bonds (distance) P-C4' energy: -55.011 flat angles C4'-P-C4' energy: -53.399 flat angles P-C4'-P energy: -35.686 tors. eta vs tors. theta energy: -30.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -523.354974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.354974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.354974 (E_RNA) where: Base-Base interactions energy: -284.782 where: short stacking energy: -161.277 Base-Backbone interact. energy: -2.382 local terms energy: -236.190936 where: bonds (distance) C4'-P energy: -53.721 bonds (distance) P-C4' energy: -59.812 flat angles C4'-P-C4' energy: -61.853 flat angles P-C4'-P energy: -33.228 tors. eta vs tors. theta energy: -27.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -578.499036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.499036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.499036 (E_RNA) where: Base-Base interactions energy: -339.269 where: short stacking energy: -171.284 Base-Backbone interact. energy: -0.340 local terms energy: -238.890049 where: bonds (distance) C4'-P energy: -46.624 bonds (distance) P-C4' energy: -59.271 flat angles C4'-P-C4' energy: -57.039 flat angles P-C4'-P energy: -43.971 tors. eta vs tors. theta energy: -31.985 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: 9 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -446.202971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.202971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.202971 (E_RNA) where: Base-Base interactions energy: -225.542 where: short stacking energy: -130.202 Base-Backbone interact. energy: -3.434 local terms energy: -217.226826 where: bonds (distance) C4'-P energy: -52.449 bonds (distance) P-C4' energy: -61.746 flat angles C4'-P-C4' energy: -65.615 flat angles P-C4'-P energy: -29.350 tors. eta vs tors. theta energy: -8.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -373.534501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.534501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.534501 (E_RNA) where: Base-Base interactions energy: -190.698 where: short stacking energy: -98.491 Base-Backbone interact. energy: -0.014 local terms energy: -182.822987 where: bonds (distance) C4'-P energy: -53.275 bonds (distance) P-C4' energy: -54.305 flat angles C4'-P-C4' energy: -53.124 flat angles P-C4'-P energy: -22.224 tors. eta vs tors. theta energy: 0.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -1048.107095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.107095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.107095 (E_RNA) where: Base-Base interactions energy: -697.422 where: short stacking energy: -319.950 Base-Backbone interact. energy: -0.023 local terms energy: -350.662576 where: bonds (distance) C4'-P energy: -70.406 bonds (distance) P-C4' energy: -67.111 flat angles C4'-P-C4' energy: -79.888 flat angles P-C4'-P energy: -49.539 tors. eta vs tors. theta energy: -83.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -921.668223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.668223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.668223 (E_RNA) where: Base-Base interactions energy: -612.747 where: short stacking energy: -258.667 Base-Backbone interact. energy: -2.091 local terms energy: -306.830223 where: bonds (distance) C4'-P energy: -59.319 bonds (distance) P-C4' energy: -62.567 flat angles C4'-P-C4' energy: -68.303 flat angles P-C4'-P energy: -50.108 tors. eta vs tors. theta energy: -66.534 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: 3, replica: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -834.067856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.067856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.067856 (E_RNA) where: Base-Base interactions energy: -535.578 where: short stacking energy: -251.259 Base-Backbone interact. energy: -0.876 local terms energy: -297.614457 where: bonds (distance) C4'-P energy: -61.034 bonds (distance) P-C4' energy: -63.766 flat angles C4'-P-C4' energy: -67.925 flat angles P-C4'-P energy: -47.345 tors. eta vs tors. theta energy: -57.544 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: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -754.255970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.255970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.255970 (E_RNA) where: Base-Base interactions energy: -476.632 where: short stacking energy: -207.680 Base-Backbone interact. energy: 0.373 local terms energy: -277.996904 where: bonds (distance) C4'-P energy: -58.156 bonds (distance) P-C4' energy: -69.040 flat angles C4'-P-C4' energy: -66.150 flat angles P-C4'-P energy: -41.816 tors. eta vs tors. theta energy: -42.836 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: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -692.398899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.398899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.398899 (E_RNA) where: Base-Base interactions energy: -440.592 where: short stacking energy: -201.165 Base-Backbone interact. energy: 1.327 local terms energy: -253.133181 where: bonds (distance) C4'-P energy: -64.418 bonds (distance) P-C4' energy: -63.516 flat angles C4'-P-C4' energy: -49.733 flat angles P-C4'-P energy: -33.361 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: 6, replica: 8 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -597.580103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.580103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.580103 (E_RNA) where: Base-Base interactions energy: -349.462 where: short stacking energy: -150.567 Base-Backbone interact. energy: -1.719 local terms energy: -246.399242 where: bonds (distance) C4'-P energy: -59.646 bonds (distance) P-C4' energy: -64.921 flat angles C4'-P-C4' energy: -67.499 flat angles P-C4'-P energy: -29.768 tors. eta vs tors. theta energy: -24.565 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: 10 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -599.028294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.028294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.028294 (E_RNA) where: Base-Base interactions energy: -361.992 where: short stacking energy: -170.086 Base-Backbone interact. energy: -1.784 local terms energy: -235.251926 where: bonds (distance) C4'-P energy: -49.324 bonds (distance) P-C4' energy: -66.727 flat angles C4'-P-C4' energy: -59.879 flat angles P-C4'-P energy: -32.459 tors. eta vs tors. theta energy: -26.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -485.792409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.792409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.792409 (E_RNA) where: Base-Base interactions energy: -255.341 where: short stacking energy: -130.366 Base-Backbone interact. energy: 3.609 local terms energy: -234.060656 where: bonds (distance) C4'-P energy: -67.429 bonds (distance) P-C4' energy: -59.688 flat angles C4'-P-C4' energy: -57.662 flat angles P-C4'-P energy: -36.353 tors. eta vs tors. theta energy: -12.930 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: 9, replica: 9 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -486.808813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.808813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.808813 (E_RNA) where: Base-Base interactions energy: -279.268 where: short stacking energy: -142.320 Base-Backbone interact. energy: 2.455 local terms energy: -209.995388 where: bonds (distance) C4'-P energy: -51.897 bonds (distance) P-C4' energy: -70.607 flat angles C4'-P-C4' energy: -56.103 flat angles P-C4'-P energy: -20.908 tors. eta vs tors. theta energy: -10.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -403.975197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.975197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.975197 (E_RNA) where: Base-Base interactions energy: -219.401 where: short stacking energy: -115.230 Base-Backbone interact. energy: 0.578 local terms energy: -185.152302 where: bonds (distance) C4'-P energy: -34.016 bonds (distance) P-C4' energy: -54.698 flat angles C4'-P-C4' energy: -53.634 flat angles P-C4'-P energy: -29.906 tors. eta vs tors. theta energy: -12.898 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: 3 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -1084.108041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.108041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.108041 (E_RNA) where: Base-Base interactions energy: -733.491 where: short stacking energy: -302.806 Base-Backbone interact. energy: -0.732 local terms energy: -349.884768 where: bonds (distance) C4'-P energy: -66.217 bonds (distance) P-C4' energy: -69.289 flat angles C4'-P-C4' energy: -77.111 flat angles P-C4'-P energy: -52.846 tors. eta vs tors. theta energy: -84.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -909.753500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.753500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.753500 (E_RNA) where: Base-Base interactions energy: -603.728 where: short stacking energy: -258.839 Base-Backbone interact. energy: -0.458 local terms energy: -305.568059 where: bonds (distance) C4'-P energy: -60.139 bonds (distance) P-C4' energy: -74.155 flat angles C4'-P-C4' energy: -73.365 flat angles P-C4'-P energy: -50.460 tors. eta vs tors. theta energy: -47.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -833.152585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.152585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.152585 (E_RNA) where: Base-Base interactions energy: -537.864 where: short stacking energy: -243.568 Base-Backbone interact. energy: 0.414 local terms energy: -295.702399 where: bonds (distance) C4'-P energy: -64.310 bonds (distance) P-C4' energy: -55.622 flat angles C4'-P-C4' energy: -67.666 flat angles P-C4'-P energy: -47.490 tors. eta vs tors. theta energy: -60.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -743.143858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.143858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.143858 (E_RNA) where: Base-Base interactions energy: -477.831 where: short stacking energy: -229.503 Base-Backbone interact. energy: -1.622 local terms energy: -263.690500 where: bonds (distance) C4'-P energy: -56.233 bonds (distance) P-C4' energy: -64.228 flat angles C4'-P-C4' energy: -61.286 flat angles P-C4'-P energy: -27.876 tors. eta vs tors. theta energy: -54.068 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: 5, replica: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -685.315377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.315377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.315377 (E_RNA) where: Base-Base interactions energy: -414.267 where: short stacking energy: -173.732 Base-Backbone interact. energy: -2.248 local terms energy: -268.800178 where: bonds (distance) C4'-P energy: -66.806 bonds (distance) P-C4' energy: -66.467 flat angles C4'-P-C4' energy: -61.277 flat angles P-C4'-P energy: -37.596 tors. eta vs tors. theta energy: -36.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -669.134898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.134898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.134898 (E_RNA) where: Base-Base interactions energy: -417.391 where: short stacking energy: -168.363 Base-Backbone interact. energy: 0.663 local terms energy: -252.406632 where: bonds (distance) C4'-P energy: -54.231 bonds (distance) P-C4' energy: -51.226 flat angles C4'-P-C4' energy: -66.689 flat angles P-C4'-P energy: -41.649 tors. eta vs tors. theta energy: -38.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -552.799860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.799860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.799860 (E_RNA) where: Base-Base interactions energy: -312.358 where: short stacking energy: -144.523 Base-Backbone interact. energy: -2.304 local terms energy: -238.137937 where: bonds (distance) C4'-P energy: -57.536 bonds (distance) P-C4' energy: -63.735 flat angles C4'-P-C4' energy: -58.103 flat angles P-C4'-P energy: -38.931 tors. eta vs tors. theta energy: -19.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -543.618995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.618995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.618995 (E_RNA) where: Base-Base interactions energy: -340.380 where: short stacking energy: -174.701 Base-Backbone interact. energy: -1.824 local terms energy: -201.414881 where: bonds (distance) C4'-P energy: -46.662 bonds (distance) P-C4' energy: -50.752 flat angles C4'-P-C4' energy: -46.590 flat angles P-C4'-P energy: -31.425 tors. eta vs tors. theta energy: -25.986 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: 4 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -481.316256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.316256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.316256 (E_RNA) where: Base-Base interactions energy: -286.682 where: short stacking energy: -150.483 Base-Backbone interact. energy: -0.213 local terms energy: -194.421267 where: bonds (distance) C4'-P energy: -44.657 bonds (distance) P-C4' energy: -52.262 flat angles C4'-P-C4' energy: -49.650 flat angles P-C4'-P energy: -27.966 tors. eta vs tors. theta energy: -19.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -417.972553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.972553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.972553 (E_RNA) where: Base-Base interactions energy: -213.167 where: short stacking energy: -125.317 Base-Backbone interact. energy: -1.341 local terms energy: -203.465165 where: bonds (distance) C4'-P energy: -48.134 bonds (distance) P-C4' energy: -59.151 flat angles C4'-P-C4' energy: -53.751 flat angles P-C4'-P energy: -35.376 tors. eta vs tors. theta energy: -7.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -1050.400273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.400273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.400273 (E_RNA) where: Base-Base interactions energy: -724.703 where: short stacking energy: -302.112 Base-Backbone interact. energy: 0.847 local terms energy: -326.544638 where: bonds (distance) C4'-P energy: -59.120 bonds (distance) P-C4' energy: -59.833 flat angles C4'-P-C4' energy: -69.854 flat angles P-C4'-P energy: -53.917 tors. eta vs tors. theta energy: -83.821 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: 6 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -905.526922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.526922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.526922 (E_RNA) where: Base-Base interactions energy: -588.580 where: short stacking energy: -236.051 Base-Backbone interact. energy: -2.006 local terms energy: -314.940774 where: bonds (distance) C4'-P energy: -58.620 bonds (distance) P-C4' energy: -66.774 flat angles C4'-P-C4' energy: -76.853 flat angles P-C4'-P energy: -52.816 tors. eta vs tors. theta energy: -59.877 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: 24 Temperature: 1.000000 Total energy: -810.664574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.664574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.664574 (E_RNA) where: Base-Base interactions energy: -522.884 where: short stacking energy: -227.054 Base-Backbone interact. energy: 2.345 local terms energy: -290.125242 where: bonds (distance) C4'-P energy: -56.297 bonds (distance) P-C4' energy: -68.246 flat angles C4'-P-C4' energy: -60.431 flat angles P-C4'-P energy: -47.592 tors. eta vs tors. theta energy: -57.559 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: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -771.103026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.103026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.103026 (E_RNA) where: Base-Base interactions energy: -473.494 where: short stacking energy: -215.677 Base-Backbone interact. energy: -2.649 local terms energy: -294.960643 where: bonds (distance) C4'-P energy: -68.867 bonds (distance) P-C4' energy: -56.810 flat angles C4'-P-C4' energy: -68.072 flat angles P-C4'-P energy: -47.757 tors. eta vs tors. theta energy: -53.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -664.361391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.361391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.361391 (E_RNA) where: Base-Base interactions energy: -391.044 where: short stacking energy: -184.956 Base-Backbone interact. energy: -1.166 local terms energy: -272.151258 where: bonds (distance) C4'-P energy: -58.596 bonds (distance) P-C4' energy: -63.690 flat angles C4'-P-C4' energy: -64.984 flat angles P-C4'-P energy: -47.202 tors. eta vs tors. theta energy: -37.679 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: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -647.500285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.500285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.500285 (E_RNA) where: Base-Base interactions energy: -408.190 where: short stacking energy: -194.649 Base-Backbone interact. energy: -2.139 local terms energy: -237.172102 where: bonds (distance) C4'-P energy: -61.511 bonds (distance) P-C4' energy: -43.059 flat angles C4'-P-C4' energy: -50.848 flat angles P-C4'-P energy: -50.935 tors. eta vs tors. theta energy: -30.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -599.214683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.214683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.214683 (E_RNA) where: Base-Base interactions energy: -356.650 where: short stacking energy: -191.694 Base-Backbone interact. energy: -0.949 local terms energy: -241.615041 where: bonds (distance) C4'-P energy: -63.043 bonds (distance) P-C4' energy: -62.397 flat angles C4'-P-C4' energy: -50.990 flat angles P-C4'-P energy: -32.609 tors. eta vs tors. theta energy: -32.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -566.660084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.660084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.660084 (E_RNA) where: Base-Base interactions energy: -347.003 where: short stacking energy: -165.671 Base-Backbone interact. energy: 2.270 local terms energy: -221.927056 where: bonds (distance) C4'-P energy: -47.792 bonds (distance) P-C4' energy: -62.741 flat angles C4'-P-C4' energy: -66.928 flat angles P-C4'-P energy: -22.608 tors. eta vs tors. theta energy: -21.859 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: 4 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -510.051645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.051645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.051645 (E_RNA) where: Base-Base interactions energy: -301.116 where: short stacking energy: -161.601 Base-Backbone interact. energy: 0.262 local terms energy: -209.196914 where: bonds (distance) C4'-P energy: -43.519 bonds (distance) P-C4' energy: -43.977 flat angles C4'-P-C4' energy: -69.492 flat angles P-C4'-P energy: -27.322 tors. eta vs tors. theta energy: -24.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -434.706163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.706163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.706163 (E_RNA) where: Base-Base interactions energy: -253.250 where: short stacking energy: -115.376 Base-Backbone interact. energy: -2.184 local terms energy: -179.272560 where: bonds (distance) C4'-P energy: -49.614 bonds (distance) P-C4' energy: -41.883 flat angles C4'-P-C4' energy: -55.965 flat angles P-C4'-P energy: -29.967 tors. eta vs tors. theta energy: -1.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -1027.291775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.291775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.291775 (E_RNA) where: Base-Base interactions energy: -709.976 where: short stacking energy: -294.854 Base-Backbone interact. energy: -0.633 local terms energy: -316.683302 where: bonds (distance) C4'-P energy: -62.109 bonds (distance) P-C4' energy: -64.624 flat angles C4'-P-C4' energy: -68.512 flat angles P-C4'-P energy: -43.601 tors. eta vs tors. theta energy: -77.838 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: 6 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -899.875665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.875665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.875665 (E_RNA) where: Base-Base interactions energy: -585.728 where: short stacking energy: -261.405 Base-Backbone interact. energy: -1.474 local terms energy: -312.673995 where: bonds (distance) C4'-P energy: -54.431 bonds (distance) P-C4' energy: -71.332 flat angles C4'-P-C4' energy: -79.598 flat angles P-C4'-P energy: -47.952 tors. eta vs tors. theta energy: -59.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -841.457189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.457189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.457189 (E_RNA) where: Base-Base interactions energy: -546.800 where: short stacking energy: -245.708 Base-Backbone interact. energy: -0.792 local terms energy: -293.865217 where: bonds (distance) C4'-P energy: -61.043 bonds (distance) P-C4' energy: -69.316 flat angles C4'-P-C4' energy: -70.117 flat angles P-C4'-P energy: -36.643 tors. eta vs tors. theta energy: -56.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -762.795766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.795766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.795766 (E_RNA) where: Base-Base interactions energy: -478.456 where: short stacking energy: -229.455 Base-Backbone interact. energy: -0.219 local terms energy: -284.120657 where: bonds (distance) C4'-P energy: -63.272 bonds (distance) P-C4' energy: -58.642 flat angles C4'-P-C4' energy: -68.574 flat angles P-C4'-P energy: -39.111 tors. eta vs tors. theta energy: -54.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -706.617961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.617961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.617961 (E_RNA) where: Base-Base interactions energy: -438.636 where: short stacking energy: -214.139 Base-Backbone interact. energy: -1.201 local terms energy: -266.781248 where: bonds (distance) C4'-P energy: -52.786 bonds (distance) P-C4' energy: -66.848 flat angles C4'-P-C4' energy: -56.573 flat angles P-C4'-P energy: -44.481 tors. eta vs tors. theta energy: -46.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -643.526415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.526415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.526415 (E_RNA) where: Base-Base interactions energy: -387.552 where: short stacking energy: -189.678 Base-Backbone interact. energy: -2.331 local terms energy: -253.643025 where: bonds (distance) C4'-P energy: -58.720 bonds (distance) P-C4' energy: -59.582 flat angles C4'-P-C4' energy: -63.862 flat angles P-C4'-P energy: -38.855 tors. eta vs tors. theta energy: -32.623 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: 8 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -563.541470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.541470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.541470 (E_RNA) where: Base-Base interactions energy: -328.202 where: short stacking energy: -150.515 Base-Backbone interact. energy: 5.447 local terms energy: -240.786811 where: bonds (distance) C4'-P energy: -61.891 bonds (distance) P-C4' energy: -59.351 flat angles C4'-P-C4' energy: -55.359 flat angles P-C4'-P energy: -42.283 tors. eta vs tors. theta energy: -21.903 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: 9 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -592.078021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.078021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.078021 (E_RNA) where: Base-Base interactions energy: -329.402 where: short stacking energy: -175.793 Base-Backbone interact. energy: -1.741 local terms energy: -260.934706 where: bonds (distance) C4'-P energy: -53.126 bonds (distance) P-C4' energy: -72.770 flat angles C4'-P-C4' energy: -65.399 flat angles P-C4'-P energy: -37.557 tors. eta vs tors. theta energy: -32.083 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: 25 Temperature: 1.300000 Total energy: -488.167228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.167228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.167228 (E_RNA) where: Base-Base interactions energy: -278.238 where: short stacking energy: -160.488 Base-Backbone interact. energy: 0.568 local terms energy: -210.496697 where: bonds (distance) C4'-P energy: -48.822 bonds (distance) P-C4' energy: -48.256 flat angles C4'-P-C4' energy: -56.995 flat angles P-C4'-P energy: -26.470 tors. eta vs tors. theta energy: -29.953 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: 7 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -349.748922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -349.748922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -349.748922 (E_RNA) where: Base-Base interactions energy: -159.279 where: short stacking energy: -91.681 Base-Backbone interact. energy: 1.019 local terms energy: -191.489607 where: bonds (distance) C4'-P energy: -35.253 bonds (distance) P-C4' energy: -60.477 flat angles C4'-P-C4' energy: -57.961 flat angles P-C4'-P energy: -30.616 tors. eta vs tors. theta energy: -7.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -1036.528026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.528026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.528026 (E_RNA) where: Base-Base interactions energy: -706.795 where: short stacking energy: -302.870 Base-Backbone interact. energy: 0.747 local terms energy: -330.480584 where: bonds (distance) C4'-P energy: -62.390 bonds (distance) P-C4' energy: -66.947 flat angles C4'-P-C4' energy: -64.218 flat angles P-C4'-P energy: -51.118 tors. eta vs tors. theta energy: -85.808 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: 26 Temperature: 0.950000 Total energy: -890.907718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.907718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.907718 (E_RNA) where: Base-Base interactions energy: -578.416 where: short stacking energy: -254.488 Base-Backbone interact. energy: -4.806 local terms energy: -307.685359 where: bonds (distance) C4'-P energy: -71.603 bonds (distance) P-C4' energy: -63.610 flat angles C4'-P-C4' energy: -66.333 flat angles P-C4'-P energy: -46.505 tors. eta vs tors. theta energy: -59.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -860.103677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.103677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.103677 (E_RNA) where: Base-Base interactions energy: -549.869 where: short stacking energy: -258.233 Base-Backbone interact. energy: -0.617 local terms energy: -309.617303 where: bonds (distance) C4'-P energy: -62.186 bonds (distance) P-C4' energy: -65.210 flat angles C4'-P-C4' energy: -64.916 flat angles P-C4'-P energy: -46.863 tors. eta vs tors. theta energy: -70.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -763.657534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.657534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.657534 (E_RNA) where: Base-Base interactions energy: -486.312 where: short stacking energy: -226.082 Base-Backbone interact. energy: -3.242 local terms energy: -274.103880 where: bonds (distance) C4'-P energy: -51.407 bonds (distance) P-C4' energy: -62.017 flat angles C4'-P-C4' energy: -59.210 flat angles P-C4'-P energy: -47.894 tors. eta vs tors. theta energy: -53.576 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: 10 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -724.092649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.092649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.092649 (E_RNA) where: Base-Base interactions energy: -441.098 where: short stacking energy: -194.774 Base-Backbone interact. energy: -0.801 local terms energy: -282.194359 where: bonds (distance) C4'-P energy: -49.294 bonds (distance) P-C4' energy: -69.214 flat angles C4'-P-C4' energy: -69.655 flat angles P-C4'-P energy: -41.851 tors. eta vs tors. theta energy: -52.180 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: 5 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -648.765068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.765068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.765068 (E_RNA) where: Base-Base interactions energy: -382.398 where: short stacking energy: -184.809 Base-Backbone interact. energy: 0.311 local terms energy: -266.678972 where: bonds (distance) C4'-P energy: -66.150 bonds (distance) P-C4' energy: -64.874 flat angles C4'-P-C4' energy: -62.231 flat angles P-C4'-P energy: -35.889 tors. eta vs tors. theta energy: -37.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -595.037871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.037871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.037871 (E_RNA) where: Base-Base interactions energy: -356.898 where: short stacking energy: -185.300 Base-Backbone interact. energy: 1.442 local terms energy: -239.582809 where: bonds (distance) C4'-P energy: -64.720 bonds (distance) P-C4' energy: -51.440 flat angles C4'-P-C4' energy: -56.050 flat angles P-C4'-P energy: -34.317 tors. eta vs tors. theta energy: -33.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -601.318932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.318932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.318932 (E_RNA) where: Base-Base interactions energy: -353.683 where: short stacking energy: -167.064 Base-Backbone interact. energy: 0.981 local terms energy: -248.616907 where: bonds (distance) C4'-P energy: -61.601 bonds (distance) P-C4' energy: -59.988 flat angles C4'-P-C4' energy: -63.357 flat angles P-C4'-P energy: -33.014 tors. eta vs tors. theta energy: -30.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -482.390472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -482.390472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -482.390472 (E_RNA) where: Base-Base interactions energy: -276.022 where: short stacking energy: -125.198 Base-Backbone interact. energy: 0.620 local terms energy: -206.988301 where: bonds (distance) C4'-P energy: -54.128 bonds (distance) P-C4' energy: -57.444 flat angles C4'-P-C4' energy: -54.826 flat angles P-C4'-P energy: -36.783 tors. eta vs tors. theta energy: -3.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -371.497456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -371.497456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -371.497456 (E_RNA) where: Base-Base interactions energy: -181.368 where: short stacking energy: -87.666 Base-Backbone interact. energy: -0.652 local terms energy: -189.477304 where: bonds (distance) C4'-P energy: -48.151 bonds (distance) P-C4' energy: -58.492 flat angles C4'-P-C4' energy: -44.645 flat angles P-C4'-P energy: -42.806 tors. eta vs tors. theta energy: 4.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -1055.085726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.085726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.085726 (E_RNA) where: Base-Base interactions energy: -712.607 where: short stacking energy: -311.773 Base-Backbone interact. energy: -1.692 local terms energy: -340.786882 where: bonds (distance) C4'-P energy: -68.977 bonds (distance) P-C4' energy: -73.708 flat angles C4'-P-C4' energy: -70.001 flat angles P-C4'-P energy: -39.000 tors. eta vs tors. theta energy: -89.101 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: 6 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -915.239400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.239400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.239400 (E_RNA) where: Base-Base interactions energy: -604.513 where: short stacking energy: -272.858 Base-Backbone interact. energy: -2.922 local terms energy: -307.804806 where: bonds (distance) C4'-P energy: -65.262 bonds (distance) P-C4' energy: -65.402 flat angles C4'-P-C4' energy: -66.518 flat angles P-C4'-P energy: -54.010 tors. eta vs tors. theta energy: -56.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -878.209944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.209944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.209944 (E_RNA) where: Base-Base interactions energy: -564.033 where: short stacking energy: -283.851 Base-Backbone interact. energy: -2.247 local terms energy: -311.930270 where: bonds (distance) C4'-P energy: -60.037 bonds (distance) P-C4' energy: -71.254 flat angles C4'-P-C4' energy: -72.410 flat angles P-C4'-P energy: -40.495 tors. eta vs tors. theta energy: -67.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -782.378200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.378200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.378200 (E_RNA) where: Base-Base interactions energy: -505.967 where: short stacking energy: -242.781 Base-Backbone interact. energy: -1.306 local terms energy: -275.105086 where: bonds (distance) C4'-P energy: -51.578 bonds (distance) P-C4' energy: -63.890 flat angles C4'-P-C4' energy: -58.693 flat angles P-C4'-P energy: -44.042 tors. eta vs tors. theta energy: -56.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -781.026743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.026743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.026743 (E_RNA) where: Base-Base interactions energy: -513.685 where: short stacking energy: -218.606 Base-Backbone interact. energy: -2.453 local terms energy: -264.888783 where: bonds (distance) C4'-P energy: -50.664 bonds (distance) P-C4' energy: -63.959 flat angles C4'-P-C4' energy: -62.840 flat angles P-C4'-P energy: -36.546 tors. eta vs tors. theta energy: -50.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -639.260711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.260711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.260711 (E_RNA) where: Base-Base interactions energy: -373.343 where: short stacking energy: -216.381 Base-Backbone interact. energy: 1.812 local terms energy: -267.729616 where: bonds (distance) C4'-P energy: -54.668 bonds (distance) P-C4' energy: -61.959 flat angles C4'-P-C4' energy: -63.553 flat angles P-C4'-P energy: -40.032 tors. eta vs tors. theta energy: -47.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -586.998019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.998019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.998019 (E_RNA) where: Base-Base interactions energy: -354.816 where: short stacking energy: -163.231 Base-Backbone interact. energy: -1.047 local terms energy: -231.134970 where: bonds (distance) C4'-P energy: -60.590 bonds (distance) P-C4' energy: -56.088 flat angles C4'-P-C4' energy: -50.637 flat angles P-C4'-P energy: -35.467 tors. eta vs tors. theta energy: -28.353 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: 27 Temperature: 1.250000 Total energy: -526.679648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.679648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.679648 (E_RNA) where: Base-Base interactions energy: -307.398 where: short stacking energy: -131.683 Base-Backbone interact. energy: 2.386 local terms energy: -221.667986 where: bonds (distance) C4'-P energy: -60.774 bonds (distance) P-C4' energy: -58.345 flat angles C4'-P-C4' energy: -60.154 flat angles P-C4'-P energy: -24.046 tors. eta vs tors. theta energy: -18.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -644.125887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.125887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.125887 (E_RNA) where: Base-Base interactions energy: -392.268 where: short stacking energy: -176.869 Base-Backbone interact. energy: -0.012 local terms energy: -251.845077 where: bonds (distance) C4'-P energy: -59.946 bonds (distance) P-C4' energy: -55.519 flat angles C4'-P-C4' energy: -66.559 flat angles P-C4'-P energy: -33.314 tors. eta vs tors. theta energy: -36.509 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: 7 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -362.564152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -362.564152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -362.564152 (E_RNA) where: Base-Base interactions energy: -183.953 where: short stacking energy: -106.339 Base-Backbone interact. energy: 2.812 local terms energy: -181.423281 where: bonds (distance) C4'-P energy: -49.371 bonds (distance) P-C4' energy: -58.997 flat angles C4'-P-C4' energy: -46.074 flat angles P-C4'-P energy: -31.927 tors. eta vs tors. theta energy: 4.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -1043.749842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.749842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.749842 (E_RNA) where: Base-Base interactions energy: -704.647 where: short stacking energy: -314.262 Base-Backbone interact. energy: -3.243 local terms energy: -335.859455 where: bonds (distance) C4'-P energy: -53.649 bonds (distance) P-C4' energy: -71.261 flat angles C4'-P-C4' energy: -74.874 flat angles P-C4'-P energy: -49.933 tors. eta vs tors. theta energy: -86.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -898.181641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.181641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.181641 (E_RNA) where: Base-Base interactions energy: -612.791 where: short stacking energy: -241.946 Base-Backbone interact. energy: -0.137 local terms energy: -285.253368 where: bonds (distance) C4'-P energy: -61.508 bonds (distance) P-C4' energy: -61.291 flat angles C4'-P-C4' energy: -66.862 flat angles P-C4'-P energy: -37.854 tors. eta vs tors. theta energy: -57.738 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: 3, replica: 1 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -877.318904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.318904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.318904 (E_RNA) where: Base-Base interactions energy: -565.246 where: short stacking energy: -274.993 Base-Backbone interact. energy: -1.145 local terms energy: -310.927998 where: bonds (distance) C4'-P energy: -57.203 bonds (distance) P-C4' energy: -63.052 flat angles C4'-P-C4' energy: -60.986 flat angles P-C4'-P energy: -54.053 tors. eta vs tors. theta energy: -75.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -771.123415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.123415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.123415 (E_RNA) where: Base-Base interactions energy: -469.482 where: short stacking energy: -224.800 Base-Backbone interact. energy: -1.107 local terms energy: -300.535027 where: bonds (distance) C4'-P energy: -66.803 bonds (distance) P-C4' energy: -63.051 flat angles C4'-P-C4' energy: -66.104 flat angles P-C4'-P energy: -43.087 tors. eta vs tors. theta energy: -61.490 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: 2 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -805.342506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.342506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.342506 (E_RNA) where: Base-Base interactions energy: -499.954 where: short stacking energy: -219.201 Base-Backbone interact. energy: -0.601 local terms energy: -304.787295 where: bonds (distance) C4'-P energy: -70.794 bonds (distance) P-C4' energy: -65.347 flat angles C4'-P-C4' energy: -63.065 flat angles P-C4'-P energy: -48.919 tors. eta vs tors. theta energy: -56.662 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: 6, replica: 9 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -667.494084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.494084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.494084 (E_RNA) where: Base-Base interactions energy: -386.652 where: short stacking energy: -188.940 Base-Backbone interact. energy: -1.706 local terms energy: -279.135919 where: bonds (distance) C4'-P energy: -65.060 bonds (distance) P-C4' energy: -62.805 flat angles C4'-P-C4' energy: -65.954 flat angles P-C4'-P energy: -40.338 tors. eta vs tors. theta energy: -44.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -620.610084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.610084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.610084 (E_RNA) where: Base-Base interactions energy: -398.585 where: short stacking energy: -178.635 Base-Backbone interact. energy: 6.591 local terms energy: -228.615708 where: bonds (distance) C4'-P energy: -53.305 bonds (distance) P-C4' energy: -66.097 flat angles C4'-P-C4' energy: -54.466 flat angles P-C4'-P energy: -21.857 tors. eta vs tors. theta energy: -32.890 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: 4 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -549.013253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.013253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.013253 (E_RNA) where: Base-Base interactions energy: -311.086 where: short stacking energy: -146.958 Base-Backbone interact. energy: 0.206 local terms energy: -238.132841 where: bonds (distance) C4'-P energy: -68.764 bonds (distance) P-C4' energy: -59.788 flat angles C4'-P-C4' energy: -55.110 flat angles P-C4'-P energy: -30.466 tors. eta vs tors. theta energy: -24.005 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: 8 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -605.542093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.542093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.542093 (E_RNA) where: Base-Base interactions energy: -388.721 where: short stacking energy: -176.021 Base-Backbone interact. energy: 0.731 local terms energy: -217.551666 where: bonds (distance) C4'-P energy: -50.873 bonds (distance) P-C4' energy: -50.273 flat angles C4'-P-C4' energy: -52.217 flat angles P-C4'-P energy: -28.743 tors. eta vs tors. theta energy: -35.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -385.745666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -385.745666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -385.745666 (E_RNA) where: Base-Base interactions energy: -182.663 where: short stacking energy: -110.047 Base-Backbone interact. energy: -0.614 local terms energy: -202.468148 where: bonds (distance) C4'-P energy: -53.055 bonds (distance) P-C4' energy: -63.410 flat angles C4'-P-C4' energy: -52.166 flat angles P-C4'-P energy: -36.449 tors. eta vs tors. theta energy: 2.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -1090.653324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.653324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.653324 (E_RNA) where: Base-Base interactions energy: -737.535 where: short stacking energy: -307.135 Base-Backbone interact. energy: 0.097 local terms energy: -353.214933 where: bonds (distance) C4'-P energy: -71.513 bonds (distance) P-C4' energy: -70.855 flat angles C4'-P-C4' energy: -66.909 flat angles P-C4'-P energy: -57.148 tors. eta vs tors. theta energy: -86.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -919.302289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.302289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.302289 (E_RNA) where: Base-Base interactions energy: -599.542 where: short stacking energy: -288.735 Base-Backbone interact. energy: -1.011 local terms energy: -318.748924 where: bonds (distance) C4'-P energy: -58.244 bonds (distance) P-C4' energy: -66.097 flat angles C4'-P-C4' energy: -69.566 flat angles P-C4'-P energy: -47.503 tors. eta vs tors. theta energy: -77.339 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: 3, replica: 6 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -859.721671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.721671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.721671 (E_RNA) where: Base-Base interactions energy: -575.410 where: short stacking energy: -256.497 Base-Backbone interact. energy: -0.352 local terms energy: -283.959680 where: bonds (distance) C4'-P energy: -58.581 bonds (distance) P-C4' energy: -63.008 flat angles C4'-P-C4' energy: -64.858 flat angles P-C4'-P energy: -40.233 tors. eta vs tors. theta energy: -57.280 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: 2 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -826.805422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.805422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.805422 (E_RNA) where: Base-Base interactions energy: -548.756 where: short stacking energy: -241.109 Base-Backbone interact. energy: -0.069 local terms energy: -277.980819 where: bonds (distance) C4'-P energy: -65.293 bonds (distance) P-C4' energy: -53.163 flat angles C4'-P-C4' energy: -60.953 flat angles P-C4'-P energy: -42.188 tors. eta vs tors. theta energy: -56.384 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: 5, replica: 10 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -733.453033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.453033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.453033 (E_RNA) where: Base-Base interactions energy: -454.120 where: short stacking energy: -202.734 Base-Backbone interact. energy: -0.252 local terms energy: -279.081701 where: bonds (distance) C4'-P energy: -64.991 bonds (distance) P-C4' energy: -72.216 flat angles C4'-P-C4' energy: -68.919 flat angles P-C4'-P energy: -22.762 tors. eta vs tors. theta energy: -50.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -651.234682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.234682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.234682 (E_RNA) where: Base-Base interactions energy: -391.551 where: short stacking energy: -189.172 Base-Backbone interact. energy: -2.420 local terms energy: -257.264600 where: bonds (distance) C4'-P energy: -62.857 bonds (distance) P-C4' energy: -53.397 flat angles C4'-P-C4' energy: -57.852 flat angles P-C4'-P energy: -35.348 tors. eta vs tors. theta energy: -47.810 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: 29 Temperature: 1.200000 Total energy: -613.874252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.874252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.874252 (E_RNA) where: Base-Base interactions energy: -389.613 where: short stacking energy: -180.364 Base-Backbone interact. energy: -0.831 local terms energy: -223.429889 where: bonds (distance) C4'-P energy: -54.282 bonds (distance) P-C4' energy: -50.049 flat angles C4'-P-C4' energy: -50.712 flat angles P-C4'-P energy: -42.318 tors. eta vs tors. theta energy: -26.069 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: 8, replica: 8 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -625.665184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.665184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.665184 (E_RNA) where: Base-Base interactions energy: -393.382 where: short stacking energy: -172.963 Base-Backbone interact. energy: -0.892 local terms energy: -231.391426 where: bonds (distance) C4'-P energy: -52.203 bonds (distance) P-C4' energy: -50.756 flat angles C4'-P-C4' energy: -60.034 flat angles P-C4'-P energy: -39.530 tors. eta vs tors. theta energy: -28.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -500.312787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.312787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.312787 (E_RNA) where: Base-Base interactions energy: -279.472 where: short stacking energy: -144.300 Base-Backbone interact. energy: 1.138 local terms energy: -221.979304 where: bonds (distance) C4'-P energy: -53.045 bonds (distance) P-C4' energy: -57.754 flat angles C4'-P-C4' energy: -59.745 flat angles P-C4'-P energy: -27.005 tors. eta vs tors. theta energy: -24.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -357.171099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -357.171099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -357.171099 (E_RNA) where: Base-Base interactions energy: -174.087 where: short stacking energy: -92.811 Base-Backbone interact. energy: -1.444 local terms energy: -181.639547 where: bonds (distance) C4'-P energy: -46.679 bonds (distance) P-C4' energy: -69.339 flat angles C4'-P-C4' energy: -43.822 flat angles P-C4'-P energy: -27.982 tors. eta vs tors. theta energy: 6.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -1111.077044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.077044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.077044 (E_RNA) where: Base-Base interactions energy: -758.347 where: short stacking energy: -310.864 Base-Backbone interact. energy: -2.071 local terms energy: -350.658530 where: bonds (distance) C4'-P energy: -71.585 bonds (distance) P-C4' energy: -65.141 flat angles C4'-P-C4' energy: -72.724 flat angles P-C4'-P energy: -55.015 tors. eta vs tors. theta energy: -86.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -921.082808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.082808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.082808 (E_RNA) where: Base-Base interactions energy: -600.238 where: short stacking energy: -311.420 Base-Backbone interact. energy: -1.733 local terms energy: -319.112054 where: bonds (distance) C4'-P energy: -60.258 bonds (distance) P-C4' energy: -63.439 flat angles C4'-P-C4' energy: -63.823 flat angles P-C4'-P energy: -51.217 tors. eta vs tors. theta energy: -80.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -856.016157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.016157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.016157 (E_RNA) where: Base-Base interactions energy: -564.545 where: short stacking energy: -260.058 Base-Backbone interact. energy: 7.511 local terms energy: -298.982261 where: bonds (distance) C4'-P energy: -65.823 bonds (distance) P-C4' energy: -65.376 flat angles C4'-P-C4' energy: -67.241 flat angles P-C4'-P energy: -33.788 tors. eta vs tors. theta energy: -66.754 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: 2 ===================================== Write number: 30 Temperature: 1.050000 Total energy: -860.278408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.278408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.278408 (E_RNA) where: Base-Base interactions energy: -575.874 where: short stacking energy: -245.525 Base-Backbone interact. energy: 0.690 local terms energy: -285.094284 where: bonds (distance) C4'-P energy: -56.475 bonds (distance) P-C4' energy: -57.722 flat angles C4'-P-C4' energy: -62.915 flat angles P-C4'-P energy: -41.743 tors. eta vs tors. theta energy: -66.239 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: 5, replica: 5 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -696.005310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.005310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.005310 (E_RNA) where: Base-Base interactions energy: -418.679 where: short stacking energy: -196.835 Base-Backbone interact. energy: -0.420 local terms energy: -276.907031 where: bonds (distance) C4'-P energy: -65.491 bonds (distance) P-C4' energy: -66.096 flat angles C4'-P-C4' energy: -65.996 flat angles P-C4'-P energy: -41.190 tors. eta vs tors. theta energy: -38.134 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: 6, replica: 10 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -686.614813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.614813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.614813 (E_RNA) where: Base-Base interactions energy: -427.012 where: short stacking energy: -180.107 Base-Backbone interact. energy: -1.256 local terms energy: -258.347285 where: bonds (distance) C4'-P energy: -61.920 bonds (distance) P-C4' energy: -60.572 flat angles C4'-P-C4' energy: -61.624 flat angles P-C4'-P energy: -29.495 tors. eta vs tors. theta energy: -44.737 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: 8 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -621.989883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.989883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.989883 (E_RNA) where: Base-Base interactions energy: -383.792 where: short stacking energy: -193.595 Base-Backbone interact. energy: -1.194 local terms energy: -237.004178 where: bonds (distance) C4'-P energy: -62.283 bonds (distance) P-C4' energy: -53.255 flat angles C4'-P-C4' energy: -51.781 flat angles P-C4'-P energy: -36.443 tors. eta vs tors. theta energy: -33.241 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: 30 Temperature: 1.250000 Total energy: -593.828672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.828672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.828672 (E_RNA) where: Base-Base interactions energy: -360.359 where: short stacking energy: -153.345 Base-Backbone interact. energy: -0.048 local terms energy: -233.421709 where: bonds (distance) C4'-P energy: -56.098 bonds (distance) P-C4' energy: -58.635 flat angles C4'-P-C4' energy: -58.737 flat angles P-C4'-P energy: -32.070 tors. eta vs tors. theta energy: -27.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -473.135738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.135738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.135738 (E_RNA) where: Base-Base interactions energy: -294.934 where: short stacking energy: -137.073 Base-Backbone interact. energy: 1.343 local terms energy: -179.544938 where: bonds (distance) C4'-P energy: -58.394 bonds (distance) P-C4' energy: -41.277 flat angles C4'-P-C4' energy: -45.974 flat angles P-C4'-P energy: -30.125 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -411.746771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.746771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.746771 (E_RNA) where: Base-Base interactions energy: -216.602 where: short stacking energy: -127.656 Base-Backbone interact. energy: -1.149 local terms energy: -193.996388 where: bonds (distance) C4'-P energy: -39.850 bonds (distance) P-C4' energy: -52.076 flat angles C4'-P-C4' energy: -38.920 flat angles P-C4'-P energy: -41.984 tors. eta vs tors. theta energy: -21.166 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: 3 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -1106.996704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.996704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.996704 (E_RNA) where: Base-Base interactions energy: -740.648 where: short stacking energy: -315.543 Base-Backbone interact. energy: -1.386 local terms energy: -364.962753 where: bonds (distance) C4'-P energy: -70.902 bonds (distance) P-C4' energy: -76.366 flat angles C4'-P-C4' energy: -73.781 flat angles P-C4'-P energy: -53.111 tors. eta vs tors. theta energy: -90.802 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: 1 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -937.018418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.018418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.018418 (E_RNA) where: Base-Base interactions energy: -617.155 where: short stacking energy: -284.647 Base-Backbone interact. energy: 0.441 local terms energy: -320.304803 where: bonds (distance) C4'-P energy: -66.146 bonds (distance) P-C4' energy: -62.189 flat angles C4'-P-C4' energy: -68.558 flat angles P-C4'-P energy: -49.492 tors. eta vs tors. theta energy: -73.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -840.310393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.310393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.310393 (E_RNA) where: Base-Base interactions energy: -551.295 where: short stacking energy: -253.859 Base-Backbone interact. energy: -2.291 local terms energy: -286.723841 where: bonds (distance) C4'-P energy: -55.848 bonds (distance) P-C4' energy: -68.374 flat angles C4'-P-C4' energy: -66.523 flat angles P-C4'-P energy: -45.162 tors. eta vs tors. theta energy: -50.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -867.375299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.375299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.375299 (E_RNA) where: Base-Base interactions energy: -568.616 where: short stacking energy: -229.175 Base-Backbone interact. energy: -2.201 local terms energy: -296.558542 where: bonds (distance) C4'-P energy: -53.639 bonds (distance) P-C4' energy: -63.765 flat angles C4'-P-C4' energy: -68.466 flat angles P-C4'-P energy: -46.166 tors. eta vs tors. theta energy: -64.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -718.385756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.385756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.385756 (E_RNA) where: Base-Base interactions energy: -452.656 where: short stacking energy: -194.515 Base-Backbone interact. energy: 0.455 local terms energy: -266.184953 where: bonds (distance) C4'-P energy: -59.081 bonds (distance) P-C4' energy: -59.027 flat angles C4'-P-C4' energy: -61.531 flat angles P-C4'-P energy: -37.990 tors. eta vs tors. theta energy: -48.556 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: 10 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -708.645531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.645531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.645531 (E_RNA) where: Base-Base interactions energy: -436.906 where: short stacking energy: -203.906 Base-Backbone interact. energy: -1.059 local terms energy: -270.680444 where: bonds (distance) C4'-P energy: -62.428 bonds (distance) P-C4' energy: -57.566 flat angles C4'-P-C4' energy: -64.872 flat angles P-C4'-P energy: -36.383 tors. eta vs tors. theta energy: -49.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -649.513999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.513999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.513999 (E_RNA) where: Base-Base interactions energy: -408.203 where: short stacking energy: -179.756 Base-Backbone interact. energy: -1.775 local terms energy: -239.535795 where: bonds (distance) C4'-P energy: -61.554 bonds (distance) P-C4' energy: -65.414 flat angles C4'-P-C4' energy: -55.438 flat angles P-C4'-P energy: -32.580 tors. eta vs tors. theta energy: -24.549 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: 9 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -589.213383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.213383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.213383 (E_RNA) where: Base-Base interactions energy: -362.904 where: short stacking energy: -175.150 Base-Backbone interact. energy: 0.465 local terms energy: -226.774513 where: bonds (distance) C4'-P energy: -61.705 bonds (distance) P-C4' energy: -57.440 flat angles C4'-P-C4' energy: -48.329 flat angles P-C4'-P energy: -33.218 tors. eta vs tors. theta energy: -26.082 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: 9, replica: 4 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -461.695837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.695837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.695837 (E_RNA) where: Base-Base interactions energy: -273.946 where: short stacking energy: -114.261 Base-Backbone interact. energy: -1.515 local terms energy: -186.234425 where: bonds (distance) C4'-P energy: -64.931 bonds (distance) P-C4' energy: -44.573 flat angles C4'-P-C4' energy: -44.312 flat angles P-C4'-P energy: -28.134 tors. eta vs tors. theta energy: -4.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -382.660800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.660800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.660800 (E_RNA) where: Base-Base interactions energy: -179.025 where: short stacking energy: -115.606 Base-Backbone interact. energy: 2.866 local terms energy: -206.501766 where: bonds (distance) C4'-P energy: -57.373 bonds (distance) P-C4' energy: -66.286 flat angles C4'-P-C4' energy: -53.127 flat angles P-C4'-P energy: -33.269 tors. eta vs tors. theta energy: 3.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -1097.439005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.439005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.439005 (E_RNA) where: Base-Base interactions energy: -741.196 where: short stacking energy: -315.013 Base-Backbone interact. energy: -3.025 local terms energy: -353.217647 where: bonds (distance) C4'-P energy: -72.605 bonds (distance) P-C4' energy: -66.145 flat angles C4'-P-C4' energy: -76.490 flat angles P-C4'-P energy: -45.400 tors. eta vs tors. theta energy: -92.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -929.188155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.188155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.188155 (E_RNA) where: Base-Base interactions energy: -610.975 where: short stacking energy: -268.290 Base-Backbone interact. energy: 0.361 local terms energy: -318.574618 where: bonds (distance) C4'-P energy: -59.277 bonds (distance) P-C4' energy: -73.324 flat angles C4'-P-C4' energy: -66.002 flat angles P-C4'-P energy: -50.223 tors. eta vs tors. theta energy: -69.749 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: 6 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -881.298384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.298384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.298384 (E_RNA) where: Base-Base interactions energy: -583.472 where: short stacking energy: -280.322 Base-Backbone interact. energy: -2.940 local terms energy: -294.886962 where: bonds (distance) C4'-P energy: -51.668 bonds (distance) P-C4' energy: -62.561 flat angles C4'-P-C4' energy: -70.032 flat angles P-C4'-P energy: -42.223 tors. eta vs tors. theta energy: -68.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -884.401087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.401087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.401087 (E_RNA) where: Base-Base interactions energy: -586.513 where: short stacking energy: -258.475 Base-Backbone interact. energy: -1.915 local terms energy: -295.972232 where: bonds (distance) C4'-P energy: -49.313 bonds (distance) P-C4' energy: -63.656 flat angles C4'-P-C4' energy: -69.018 flat angles P-C4'-P energy: -44.082 tors. eta vs tors. theta energy: -69.902 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: 5 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -692.692863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.692863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.692863 (E_RNA) where: Base-Base interactions energy: -421.202 where: short stacking energy: -179.890 Base-Backbone interact. energy: -0.811 local terms energy: -270.679040 where: bonds (distance) C4'-P energy: -60.528 bonds (distance) P-C4' energy: -62.849 flat angles C4'-P-C4' energy: -66.971 flat angles P-C4'-P energy: -45.762 tors. eta vs tors. theta energy: -34.568 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: 10 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -684.197600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.197600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.197600 (E_RNA) where: Base-Base interactions energy: -416.551 where: short stacking energy: -193.645 Base-Backbone interact. energy: -1.690 local terms energy: -265.956725 where: bonds (distance) C4'-P energy: -59.039 bonds (distance) P-C4' energy: -69.333 flat angles C4'-P-C4' energy: -64.497 flat angles P-C4'-P energy: -37.593 tors. eta vs tors. theta energy: -35.494 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: 8 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -681.999489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.999489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.999489 (E_RNA) where: Base-Base interactions energy: -431.736 where: short stacking energy: -193.532 Base-Backbone interact. energy: -0.211 local terms energy: -250.052396 where: bonds (distance) C4'-P energy: -49.980 bonds (distance) P-C4' energy: -60.047 flat angles C4'-P-C4' energy: -54.453 flat angles P-C4'-P energy: -42.197 tors. eta vs tors. theta energy: -43.376 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: 32 Temperature: 1.250000 Total energy: -487.745267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.745267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.745267 (E_RNA) where: Base-Base interactions energy: -290.819 where: short stacking energy: -126.835 Base-Backbone interact. energy: 6.450 local terms energy: -203.376287 where: bonds (distance) C4'-P energy: -62.739 bonds (distance) P-C4' energy: -62.659 flat angles C4'-P-C4' energy: -41.812 flat angles P-C4'-P energy: -26.115 tors. eta vs tors. theta energy: -10.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -472.462751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -472.462751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -472.462751 (E_RNA) where: Base-Base interactions energy: -251.735 where: short stacking energy: -123.365 Base-Backbone interact. energy: -0.914 local terms energy: -219.812968 where: bonds (distance) C4'-P energy: -48.950 bonds (distance) P-C4' energy: -55.158 flat angles C4'-P-C4' energy: -56.541 flat angles P-C4'-P energy: -38.296 tors. eta vs tors. theta energy: -20.868 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: 7 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -405.366333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.366333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.366333 (E_RNA) where: Base-Base interactions energy: -192.538 where: short stacking energy: -109.432 Base-Backbone interact. energy: -1.529 local terms energy: -211.299153 where: bonds (distance) C4'-P energy: -55.689 bonds (distance) P-C4' energy: -55.364 flat angles C4'-P-C4' energy: -50.824 flat angles P-C4'-P energy: -37.589 tors. eta vs tors. theta energy: -11.833 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: 3 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -1077.741467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.741467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.741467 (E_RNA) where: Base-Base interactions energy: -745.830 where: short stacking energy: -308.310 Base-Backbone interact. energy: -2.560 local terms energy: -329.351225 where: bonds (distance) C4'-P energy: -56.797 bonds (distance) P-C4' energy: -68.316 flat angles C4'-P-C4' energy: -64.334 flat angles P-C4'-P energy: -47.769 tors. eta vs tors. theta energy: -92.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -903.598305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.598305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.598305 (E_RNA) where: Base-Base interactions energy: -580.527 where: short stacking energy: -275.127 Base-Backbone interact. energy: -0.474 local terms energy: -322.597596 where: bonds (distance) C4'-P energy: -57.471 bonds (distance) P-C4' energy: -68.324 flat angles C4'-P-C4' energy: -76.021 flat angles P-C4'-P energy: -49.345 tors. eta vs tors. theta energy: -71.436 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: 6 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -889.289145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.289145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.289145 (E_RNA) where: Base-Base interactions energy: -578.909 where: short stacking energy: -256.028 Base-Backbone interact. energy: 0.487 local terms energy: -310.867463 where: bonds (distance) C4'-P energy: -69.244 bonds (distance) P-C4' energy: -69.503 flat angles C4'-P-C4' energy: -71.155 flat angles P-C4'-P energy: -45.602 tors. eta vs tors. theta energy: -55.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -888.978448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.978448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.978448 (E_RNA) where: Base-Base interactions energy: -572.623 where: short stacking energy: -249.800 Base-Backbone interact. energy: -3.021 local terms energy: -313.334310 where: bonds (distance) C4'-P energy: -68.822 bonds (distance) P-C4' energy: -59.979 flat angles C4'-P-C4' energy: -67.477 flat angles P-C4'-P energy: -49.019 tors. eta vs tors. theta energy: -68.038 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: 5 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -688.410510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.410510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.410510 (E_RNA) where: Base-Base interactions energy: -423.888 where: short stacking energy: -189.756 Base-Backbone interact. energy: -1.646 local terms energy: -262.876607 where: bonds (distance) C4'-P energy: -59.378 bonds (distance) P-C4' energy: -61.654 flat angles C4'-P-C4' energy: -69.980 flat angles P-C4'-P energy: -42.936 tors. eta vs tors. theta energy: -28.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -736.345725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.345725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.345725 (E_RNA) where: Base-Base interactions energy: -481.468 where: short stacking energy: -217.593 Base-Backbone interact. energy: -0.138 local terms energy: -254.739749 where: bonds (distance) C4'-P energy: -57.600 bonds (distance) P-C4' energy: -64.755 flat angles C4'-P-C4' energy: -54.065 flat angles P-C4'-P energy: -27.202 tors. eta vs tors. theta energy: -51.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -650.775161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.775161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.775161 (E_RNA) where: Base-Base interactions energy: -404.989 where: short stacking energy: -181.081 Base-Backbone interact. energy: -2.035 local terms energy: -243.751812 where: bonds (distance) C4'-P energy: -62.432 bonds (distance) P-C4' energy: -47.841 flat angles C4'-P-C4' energy: -57.674 flat angles P-C4'-P energy: -37.342 tors. eta vs tors. theta energy: -38.463 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: 33 Temperature: 1.250000 Total energy: -502.444634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.444634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.444634 (E_RNA) where: Base-Base interactions energy: -292.508 where: short stacking energy: -137.232 Base-Backbone interact. energy: 1.949 local terms energy: -211.885848 where: bonds (distance) C4'-P energy: -56.998 bonds (distance) P-C4' energy: -58.287 flat angles C4'-P-C4' energy: -45.469 flat angles P-C4'-P energy: -36.521 tors. eta vs tors. theta energy: -14.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -469.685055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.685055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.685055 (E_RNA) where: Base-Base interactions energy: -269.424 where: short stacking energy: -123.690 Base-Backbone interact. energy: -2.077 local terms energy: -198.183222 where: bonds (distance) C4'-P energy: -51.257 bonds (distance) P-C4' energy: -51.695 flat angles C4'-P-C4' energy: -48.974 flat angles P-C4'-P energy: -33.658 tors. eta vs tors. theta energy: -12.599 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: 10, replica: 7 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -425.868178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.868178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.868178 (E_RNA) where: Base-Base interactions energy: -231.509 where: short stacking energy: -135.372 Base-Backbone interact. energy: 2.312 local terms energy: -196.671059 where: bonds (distance) C4'-P energy: -54.197 bonds (distance) P-C4' energy: -52.821 flat angles C4'-P-C4' energy: -40.378 flat angles P-C4'-P energy: -26.243 tors. eta vs tors. theta energy: -23.033 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: 3 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -1068.643600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.643600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.643600 (E_RNA) where: Base-Base interactions energy: -726.183 where: short stacking energy: -306.073 Base-Backbone interact. energy: -0.290 local terms energy: -342.170203 where: bonds (distance) C4'-P energy: -69.753 bonds (distance) P-C4' energy: -62.398 flat angles C4'-P-C4' energy: -73.917 flat angles P-C4'-P energy: -49.828 tors. eta vs tors. theta energy: -86.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -901.350732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.350732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.350732 (E_RNA) where: Base-Base interactions energy: -590.698 where: short stacking energy: -275.653 Base-Backbone interact. energy: -2.296 local terms energy: -308.357129 where: bonds (distance) C4'-P energy: -72.180 bonds (distance) P-C4' energy: -62.583 flat angles C4'-P-C4' energy: -64.121 flat angles P-C4'-P energy: -49.577 tors. eta vs tors. theta energy: -59.896 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: 6 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -908.620074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.620074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.620074 (E_RNA) where: Base-Base interactions energy: -589.336 where: short stacking energy: -257.015 Base-Backbone interact. energy: -1.627 local terms energy: -317.657084 where: bonds (distance) C4'-P energy: -61.260 bonds (distance) P-C4' energy: -63.094 flat angles C4'-P-C4' energy: -74.356 flat angles P-C4'-P energy: -57.481 tors. eta vs tors. theta energy: -61.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -877.703243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.703243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.703243 (E_RNA) where: Base-Base interactions energy: -587.575 where: short stacking energy: -235.343 Base-Backbone interact. energy: 4.185 local terms energy: -294.312877 where: bonds (distance) C4'-P energy: -61.497 bonds (distance) P-C4' energy: -62.427 flat angles C4'-P-C4' energy: -63.424 flat angles P-C4'-P energy: -44.584 tors. eta vs tors. theta energy: -62.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -814.293279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.293279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.293279 (E_RNA) where: Base-Base interactions energy: -553.865 where: short stacking energy: -224.692 Base-Backbone interact. energy: -0.304 local terms energy: -260.124785 where: bonds (distance) C4'-P energy: -58.573 bonds (distance) P-C4' energy: -62.308 flat angles C4'-P-C4' energy: -52.749 flat angles P-C4'-P energy: -40.648 tors. eta vs tors. theta energy: -45.847 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: 5 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -639.344971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.344971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.344971 (E_RNA) where: Base-Base interactions energy: -387.907 where: short stacking energy: -171.735 Base-Backbone interact. energy: 0.814 local terms energy: -252.251954 where: bonds (distance) C4'-P energy: -62.538 bonds (distance) P-C4' energy: -65.530 flat angles C4'-P-C4' energy: -68.185 flat angles P-C4'-P energy: -33.816 tors. eta vs tors. theta energy: -22.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -668.986734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.986734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.986734 (E_RNA) where: Base-Base interactions energy: -439.090 where: short stacking energy: -204.234 Base-Backbone interact. energy: -2.476 local terms energy: -227.420877 where: bonds (distance) C4'-P energy: -62.789 bonds (distance) P-C4' energy: -48.313 flat angles C4'-P-C4' energy: -63.310 flat angles P-C4'-P energy: -28.975 tors. eta vs tors. theta energy: -24.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -533.521004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.521004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.521004 (E_RNA) where: Base-Base interactions energy: -329.062 where: short stacking energy: -160.515 Base-Backbone interact. energy: -0.455 local terms energy: -204.004034 where: bonds (distance) C4'-P energy: -47.641 bonds (distance) P-C4' energy: -48.441 flat angles C4'-P-C4' energy: -58.007 flat angles P-C4'-P energy: -28.104 tors. eta vs tors. theta energy: -21.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -450.146482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.146482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.146482 (E_RNA) where: Base-Base interactions energy: -233.826 where: short stacking energy: -131.134 Base-Backbone interact. energy: 2.758 local terms energy: -219.077874 where: bonds (distance) C4'-P energy: -52.920 bonds (distance) P-C4' energy: -51.752 flat angles C4'-P-C4' energy: -50.642 flat angles P-C4'-P energy: -33.794 tors. eta vs tors. theta energy: -29.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -353.326829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -353.326829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -353.326829 (E_RNA) where: Base-Base interactions energy: -171.884 where: short stacking energy: -99.755 Base-Backbone interact. energy: 4.520 local terms energy: -185.963351 where: bonds (distance) C4'-P energy: -58.213 bonds (distance) P-C4' energy: -51.833 flat angles C4'-P-C4' energy: -40.977 flat angles P-C4'-P energy: -36.219 tors. eta vs tors. theta energy: 1.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -1067.364129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.364129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.364129 (E_RNA) where: Base-Base interactions energy: -739.433 where: short stacking energy: -300.873 Base-Backbone interact. energy: 0.005 local terms energy: -327.935429 where: bonds (distance) C4'-P energy: -67.495 bonds (distance) P-C4' energy: -66.322 flat angles C4'-P-C4' energy: -74.243 flat angles P-C4'-P energy: -42.554 tors. eta vs tors. theta energy: -77.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -929.502812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.502812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.502812 (E_RNA) where: Base-Base interactions energy: -599.611 where: short stacking energy: -274.826 Base-Backbone interact. energy: -2.244 local terms energy: -327.647919 where: bonds (distance) C4'-P energy: -66.935 bonds (distance) P-C4' energy: -67.451 flat angles C4'-P-C4' energy: -73.071 flat angles P-C4'-P energy: -50.547 tors. eta vs tors. theta energy: -69.644 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: 35 Temperature: 1.000000 Total energy: -871.428530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.428530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.428530 (E_RNA) where: Base-Base interactions energy: -567.896 where: short stacking energy: -262.605 Base-Backbone interact. energy: 0.082 local terms energy: -303.613995 where: bonds (distance) C4'-P energy: -65.144 bonds (distance) P-C4' energy: -54.861 flat angles C4'-P-C4' energy: -74.282 flat angles P-C4'-P energy: -40.307 tors. eta vs tors. theta energy: -69.021 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: 2 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -860.136771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.136771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.136771 (E_RNA) where: Base-Base interactions energy: -577.561 where: short stacking energy: -231.809 Base-Backbone interact. energy: -0.959 local terms energy: -281.616287 where: bonds (distance) C4'-P energy: -59.814 bonds (distance) P-C4' energy: -61.460 flat angles C4'-P-C4' energy: -63.347 flat angles P-C4'-P energy: -40.120 tors. eta vs tors. theta energy: -56.875 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: 5, replica: 8 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -853.369314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.369314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.369314 (E_RNA) where: Base-Base interactions energy: -569.998 where: short stacking energy: -249.277 Base-Backbone interact. energy: -1.317 local terms energy: -282.053423 where: bonds (distance) C4'-P energy: -60.813 bonds (distance) P-C4' energy: -68.043 flat angles C4'-P-C4' energy: -55.471 flat angles P-C4'-P energy: -35.757 tors. eta vs tors. theta energy: -61.970 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: 5 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -629.857553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.857553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.857553 (E_RNA) where: Base-Base interactions energy: -372.153 where: short stacking energy: -184.281 Base-Backbone interact. energy: -1.576 local terms energy: -256.128275 where: bonds (distance) C4'-P energy: -56.501 bonds (distance) P-C4' energy: -63.601 flat angles C4'-P-C4' energy: -63.813 flat angles P-C4'-P energy: -39.386 tors. eta vs tors. theta energy: -32.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -627.857901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.857901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.857901 (E_RNA) where: Base-Base interactions energy: -387.246 where: short stacking energy: -180.142 Base-Backbone interact. energy: -0.677 local terms energy: -239.934842 where: bonds (distance) C4'-P energy: -48.984 bonds (distance) P-C4' energy: -66.195 flat angles C4'-P-C4' energy: -60.214 flat angles P-C4'-P energy: -32.577 tors. eta vs tors. theta energy: -31.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -462.550015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.550015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.550015 (E_RNA) where: Base-Base interactions energy: -268.272 where: short stacking energy: -126.770 Base-Backbone interact. energy: -0.110 local terms energy: -194.168025 where: bonds (distance) C4'-P energy: -48.700 bonds (distance) P-C4' energy: -55.467 flat angles C4'-P-C4' energy: -47.915 flat angles P-C4'-P energy: -32.679 tors. eta vs tors. theta energy: -9.407 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: 9 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -466.708544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.708544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.708544 (E_RNA) where: Base-Base interactions energy: -253.280 where: short stacking energy: -132.167 Base-Backbone interact. energy: -1.246 local terms energy: -212.182306 where: bonds (distance) C4'-P energy: -61.854 bonds (distance) P-C4' energy: -44.652 flat angles C4'-P-C4' energy: -54.923 flat angles P-C4'-P energy: -30.941 tors. eta vs tors. theta energy: -19.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -354.427018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -354.427018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -354.427018 (E_RNA) where: Base-Base interactions energy: -165.604 where: short stacking energy: -89.909 Base-Backbone interact. energy: 1.785 local terms energy: -190.607861 where: bonds (distance) C4'-P energy: -57.390 bonds (distance) P-C4' energy: -61.354 flat angles C4'-P-C4' energy: -51.480 flat angles P-C4'-P energy: -21.559 tors. eta vs tors. theta energy: 1.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -1081.468160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.468160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.468160 (E_RNA) where: Base-Base interactions energy: -751.687 where: short stacking energy: -305.811 Base-Backbone interact. energy: 0.204 local terms energy: -329.985984 where: bonds (distance) C4'-P energy: -69.207 bonds (distance) P-C4' energy: -66.112 flat angles C4'-P-C4' energy: -61.215 flat angles P-C4'-P energy: -50.001 tors. eta vs tors. theta energy: -83.452 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: 6 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -920.295932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.295932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.295932 (E_RNA) where: Base-Base interactions energy: -590.066 where: short stacking energy: -267.939 Base-Backbone interact. energy: -2.811 local terms energy: -327.419399 where: bonds (distance) C4'-P energy: -57.771 bonds (distance) P-C4' energy: -72.202 flat angles C4'-P-C4' energy: -72.615 flat angles P-C4'-P energy: -52.576 tors. eta vs tors. theta energy: -72.254 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: 2 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -916.477309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.477309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.477309 (E_RNA) where: Base-Base interactions energy: -591.203 where: short stacking energy: -241.172 Base-Backbone interact. energy: -0.471 local terms energy: -324.802902 where: bonds (distance) C4'-P energy: -72.457 bonds (distance) P-C4' energy: -58.938 flat angles C4'-P-C4' energy: -78.204 flat angles P-C4'-P energy: -54.637 tors. eta vs tors. theta energy: -60.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -827.460493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.460493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.460493 (E_RNA) where: Base-Base interactions energy: -525.982 where: short stacking energy: -240.926 Base-Backbone interact. energy: -3.071 local terms energy: -298.407674 where: bonds (distance) C4'-P energy: -67.955 bonds (distance) P-C4' energy: -61.760 flat angles C4'-P-C4' energy: -63.670 flat angles P-C4'-P energy: -46.614 tors. eta vs tors. theta energy: -58.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -872.972107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.972107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.972107 (E_RNA) where: Base-Base interactions energy: -601.967 where: short stacking energy: -252.577 Base-Backbone interact. energy: -2.341 local terms energy: -268.664078 where: bonds (distance) C4'-P energy: -59.097 bonds (distance) P-C4' energy: -50.351 flat angles C4'-P-C4' energy: -62.572 flat angles P-C4'-P energy: -34.320 tors. eta vs tors. theta energy: -62.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -677.976266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.976266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.976266 (E_RNA) where: Base-Base interactions energy: -414.425 where: short stacking energy: -190.176 Base-Backbone interact. energy: 3.286 local terms energy: -266.836861 where: bonds (distance) C4'-P energy: -58.260 bonds (distance) P-C4' energy: -70.521 flat angles C4'-P-C4' energy: -63.746 flat angles P-C4'-P energy: -39.404 tors. eta vs tors. theta energy: -34.907 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: 10 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -637.205875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.205875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.205875 (E_RNA) where: Base-Base interactions energy: -367.126 where: short stacking energy: -157.123 Base-Backbone interact. energy: 2.611 local terms energy: -272.690587 where: bonds (distance) C4'-P energy: -61.637 bonds (distance) P-C4' energy: -73.170 flat angles C4'-P-C4' energy: -68.473 flat angles P-C4'-P energy: -37.411 tors. eta vs tors. theta energy: -31.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -475.066956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.066956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.066956 (E_RNA) where: Base-Base interactions energy: -268.780 where: short stacking energy: -153.195 Base-Backbone interact. energy: -1.230 local terms energy: -205.057693 where: bonds (distance) C4'-P energy: -51.132 bonds (distance) P-C4' energy: -42.538 flat angles C4'-P-C4' energy: -56.744 flat angles P-C4'-P energy: -24.507 tors. eta vs tors. theta energy: -30.138 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: 9 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -467.864506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.864506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.864506 (E_RNA) where: Base-Base interactions energy: -248.225 where: short stacking energy: -126.980 Base-Backbone interact. energy: 0.695 local terms energy: -220.334096 where: bonds (distance) C4'-P energy: -57.717 bonds (distance) P-C4' energy: -53.118 flat angles C4'-P-C4' energy: -56.637 flat angles P-C4'-P energy: -36.233 tors. eta vs tors. theta energy: -16.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -393.326412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.326412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.326412 (E_RNA) where: Base-Base interactions energy: -201.640 where: short stacking energy: -119.441 Base-Backbone interact. energy: -0.945 local terms energy: -190.740748 where: bonds (distance) C4'-P energy: -56.968 bonds (distance) P-C4' energy: -54.283 flat angles C4'-P-C4' energy: -53.422 flat angles P-C4'-P energy: -27.473 tors. eta vs tors. theta energy: 1.406 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: 1, replica: 3 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -1085.541590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.541590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.541590 (E_RNA) where: Base-Base interactions energy: -747.808 where: short stacking energy: -318.492 Base-Backbone interact. energy: -1.399 local terms energy: -336.335269 where: bonds (distance) C4'-P energy: -69.200 bonds (distance) P-C4' energy: -64.618 flat angles C4'-P-C4' energy: -71.184 flat angles P-C4'-P energy: -47.284 tors. eta vs tors. theta energy: -84.049 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: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -920.771948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.771948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.771948 (E_RNA) where: Base-Base interactions energy: -616.379 where: short stacking energy: -246.443 Base-Backbone interact. energy: -2.151 local terms energy: -302.242419 where: bonds (distance) C4'-P energy: -51.534 bonds (distance) P-C4' energy: -67.975 flat angles C4'-P-C4' energy: -73.347 flat angles P-C4'-P energy: -47.031 tors. eta vs tors. theta energy: -62.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -896.931561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.931561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.931561 (E_RNA) where: Base-Base interactions energy: -604.333 where: short stacking energy: -239.201 Base-Backbone interact. energy: -3.486 local terms energy: -289.112474 where: bonds (distance) C4'-P energy: -57.871 bonds (distance) P-C4' energy: -61.818 flat angles C4'-P-C4' energy: -68.921 flat angles P-C4'-P energy: -46.146 tors. eta vs tors. theta energy: -54.356 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: 1 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -844.386488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.386488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.386488 (E_RNA) where: Base-Base interactions energy: -544.531 where: short stacking energy: -237.691 Base-Backbone interact. energy: 0.088 local terms energy: -299.942911 where: bonds (distance) C4'-P energy: -60.990 bonds (distance) P-C4' energy: -56.796 flat angles C4'-P-C4' energy: -69.560 flat angles P-C4'-P energy: -52.711 tors. eta vs tors. theta energy: -59.887 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: 5, replica: 8 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -852.450217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.450217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.450217 (E_RNA) where: Base-Base interactions energy: -568.078 where: short stacking energy: -246.312 Base-Backbone interact. energy: -0.068 local terms energy: -284.304296 where: bonds (distance) C4'-P energy: -58.839 bonds (distance) P-C4' energy: -55.113 flat angles C4'-P-C4' energy: -65.497 flat angles P-C4'-P energy: -50.928 tors. eta vs tors. theta energy: -53.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -666.670133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.670133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.670133 (E_RNA) where: Base-Base interactions energy: -425.111 where: short stacking energy: -176.505 Base-Backbone interact. energy: -2.323 local terms energy: -239.235420 where: bonds (distance) C4'-P energy: -52.141 bonds (distance) P-C4' energy: -65.396 flat angles C4'-P-C4' energy: -58.649 flat angles P-C4'-P energy: -34.387 tors. eta vs tors. theta energy: -28.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -632.303581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.303581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.303581 (E_RNA) where: Base-Base interactions energy: -382.236 where: short stacking energy: -175.374 Base-Backbone interact. energy: 0.152 local terms energy: -250.219685 where: bonds (distance) C4'-P energy: -56.426 bonds (distance) P-C4' energy: -65.978 flat angles C4'-P-C4' energy: -59.706 flat angles P-C4'-P energy: -36.033 tors. eta vs tors. theta energy: -32.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -495.108513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -495.108513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -495.108513 (E_RNA) where: Base-Base interactions energy: -281.418 where: short stacking energy: -142.303 Base-Backbone interact. energy: 1.061 local terms energy: -214.752064 where: bonds (distance) C4'-P energy: -56.830 bonds (distance) P-C4' energy: -58.295 flat angles C4'-P-C4' energy: -49.904 flat angles P-C4'-P energy: -44.399 tors. eta vs tors. theta energy: -5.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -398.970221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.970221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.970221 (E_RNA) where: Base-Base interactions energy: -225.822 where: short stacking energy: -127.185 Base-Backbone interact. energy: -0.677 local terms energy: -172.471400 where: bonds (distance) C4'-P energy: -48.157 bonds (distance) P-C4' energy: -38.633 flat angles C4'-P-C4' energy: -55.506 flat angles P-C4'-P energy: -26.611 tors. eta vs tors. theta energy: -3.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -384.082318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -384.082318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -384.082318 (E_RNA) where: Base-Base interactions energy: -195.177 where: short stacking energy: -117.714 Base-Backbone interact. energy: -0.744 local terms energy: -188.161460 where: bonds (distance) C4'-P energy: -52.224 bonds (distance) P-C4' energy: -55.973 flat angles C4'-P-C4' energy: -55.119 flat angles P-C4'-P energy: -24.013 tors. eta vs tors. theta energy: -0.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) out arg RESULTS//1/Mammalian_ancestral_-ce051627_01 ================================== temp. level: 1, replica: 3 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -1091.680272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.680272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.680272 (E_RNA) where: Base-Base interactions energy: -744.179 where: short stacking energy: -295.504 Base-Backbone interact. energy: 1.111 local terms energy: -348.612746 where: bonds (distance) C4'-P energy: -66.628 bonds (distance) P-C4' energy: -75.330 flat angles C4'-P-C4' energy: -71.415 flat angles P-C4'-P energy: -53.975 tors. eta vs tors. theta energy: -81.265 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: 2, replica: 6 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -943.040344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.040344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.040344 (E_RNA) where: Base-Base interactions energy: -631.413 where: short stacking energy: -255.385 Base-Backbone interact. energy: 0.595 local terms energy: -312.223249 where: bonds (distance) C4'-P energy: -57.528 bonds (distance) P-C4' energy: -69.577 flat angles C4'-P-C4' energy: -71.422 flat angles P-C4'-P energy: -47.004 tors. eta vs tors. theta energy: -66.693 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: 2 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -909.066837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.066837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.066837 (E_RNA) where: Base-Base interactions energy: -608.563 where: short stacking energy: -255.117 Base-Backbone interact. energy: -2.833 local terms energy: -297.671450 where: bonds (distance) C4'-P energy: -57.034 bonds (distance) P-C4' energy: -62.883 flat angles C4'-P-C4' energy: -74.667 flat angles P-C4'-P energy: -39.393 tors. eta vs tors. theta energy: -63.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -841.116264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.116264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.116264 (E_RNA) where: Base-Base interactions energy: -549.140 where: short stacking energy: -261.213 Base-Backbone interact. energy: -2.213 local terms energy: -289.763527 where: bonds (distance) C4'-P energy: -67.100 bonds (distance) P-C4' energy: -52.148 flat angles C4'-P-C4' energy: -65.761 flat angles P-C4'-P energy: -38.005 tors. eta vs tors. theta energy: -66.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -862.789612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.789612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.789612 (E_RNA) where: Base-Base interactions energy: -574.942 where: short stacking energy: -244.221 Base-Backbone interact. energy: -1.415 local terms energy: -286.432378 where: bonds (distance) C4'-P energy: -62.252 bonds (distance) P-C4' energy: -61.971 flat angles C4'-P-C4' energy: -60.834 flat angles P-C4'-P energy: -40.697 tors. eta vs tors. theta energy: -60.678 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: 10 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -676.099530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.099530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.099530 (E_RNA) where: Base-Base interactions energy: -427.703 where: short stacking energy: -201.713 Base-Backbone interact. energy: 2.597 local terms energy: -250.993353 where: bonds (distance) C4'-P energy: -63.872 bonds (distance) P-C4' energy: -60.383 flat angles C4'-P-C4' energy: -60.033 flat angles P-C4'-P energy: -22.523 tors. eta vs tors. theta energy: -44.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -627.213578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.213578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.213578 (E_RNA) where: Base-Base interactions energy: -397.788 where: short stacking energy: -192.541 Base-Backbone interact. energy: 3.389 local terms energy: -232.814353 where: bonds (distance) C4'-P energy: -47.609 bonds (distance) P-C4' energy: -49.816 flat angles C4'-P-C4' energy: -58.186 flat angles P-C4'-P energy: -48.629 tors. eta vs tors. theta energy: -28.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -498.978915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.978915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.978915 (E_RNA) where: Base-Base interactions energy: -287.788 where: short stacking energy: -138.029 Base-Backbone interact. energy: -0.913 local terms energy: -210.277963 where: bonds (distance) C4'-P energy: -51.800 bonds (distance) P-C4' energy: -58.247 flat angles C4'-P-C4' energy: -46.125 flat angles P-C4'-P energy: -30.666 tors. eta vs tors. theta energy: -23.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -411.241760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.241760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.241760 (E_RNA) where: Base-Base interactions energy: -200.223 where: short stacking energy: -101.186 Base-Backbone interact. energy: -0.462 local terms energy: -210.556832 where: bonds (distance) C4'-P energy: -56.996 bonds (distance) P-C4' energy: -55.375 flat angles C4'-P-C4' energy: -55.141 flat angles P-C4'-P energy: -32.751 tors. eta vs tors. theta energy: -10.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -329.634708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -329.634708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -329.634708 (E_RNA) where: Base-Base interactions energy: -143.804 where: short stacking energy: -80.891 Base-Backbone interact. energy: -0.111 local terms energy: -185.720386 where: bonds (distance) C4'-P energy: -57.763 bonds (distance) P-C4' energy: -55.242 flat angles C4'-P-C4' energy: -59.402 flat angles P-C4'-P energy: -27.642 tors. eta vs tors. theta energy: 14.328 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: 1, replica: 3 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -1091.552379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.552379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.552379 (E_RNA) where: Base-Base interactions energy: -755.341 where: short stacking energy: -301.318 Base-Backbone interact. energy: -2.898 local terms energy: -333.312968 where: bonds (distance) C4'-P energy: -57.031 bonds (distance) P-C4' energy: -70.300 flat angles C4'-P-C4' energy: -72.660 flat angles P-C4'-P energy: -52.558 tors. eta vs tors. theta energy: -80.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -920.888490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.888490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.888490 (E_RNA) where: Base-Base interactions energy: -630.635 where: short stacking energy: -264.498 Base-Backbone interact. energy: 0.263 local terms energy: -290.516753 where: bonds (distance) C4'-P energy: -60.818 bonds (distance) P-C4' energy: -68.615 flat angles C4'-P-C4' energy: -64.741 flat angles P-C4'-P energy: -33.465 tors. eta vs tors. theta energy: -62.879 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: 6 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -911.259626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.259626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.259626 (E_RNA) where: Base-Base interactions energy: -597.582 where: short stacking energy: -265.906 Base-Backbone interact. energy: 1.777 local terms energy: -315.454745 where: bonds (distance) C4'-P energy: -56.706 bonds (distance) P-C4' energy: -68.855 flat angles C4'-P-C4' energy: -73.179 flat angles P-C4'-P energy: -48.976 tors. eta vs tors. theta energy: -67.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -919.503067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.503067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.503067 (E_RNA) where: Base-Base interactions energy: -617.187 where: short stacking energy: -281.967 Base-Backbone interact. energy: 0.440 local terms energy: -302.755829 where: bonds (distance) C4'-P energy: -52.913 bonds (distance) P-C4' energy: -71.797 flat angles C4'-P-C4' energy: -68.273 flat angles P-C4'-P energy: -39.397 tors. eta vs tors. theta energy: -70.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -825.561133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.561133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.561133 (E_RNA) where: Base-Base interactions energy: -562.244 where: short stacking energy: -229.225 Base-Backbone interact. energy: -0.585 local terms energy: -262.731604 where: bonds (distance) C4'-P energy: -47.843 bonds (distance) P-C4' energy: -61.373 flat angles C4'-P-C4' energy: -64.639 flat angles P-C4'-P energy: -33.314 tors. eta vs tors. theta energy: -55.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -687.177472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.177472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.177472 (E_RNA) where: Base-Base interactions energy: -433.344 where: short stacking energy: -209.157 Base-Backbone interact. energy: 1.440 local terms energy: -255.274210 where: bonds (distance) C4'-P energy: -58.211 bonds (distance) P-C4' energy: -53.507 flat angles C4'-P-C4' energy: -67.030 flat angles P-C4'-P energy: -36.680 tors. eta vs tors. theta energy: -39.846 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: 5 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -622.574366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.574366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.574366 (E_RNA) where: Base-Base interactions energy: -376.916 where: short stacking energy: -167.611 Base-Backbone interact. energy: -0.187 local terms energy: -245.471775 where: bonds (distance) C4'-P energy: -47.487 bonds (distance) P-C4' energy: -61.128 flat angles C4'-P-C4' energy: -65.742 flat angles P-C4'-P energy: -41.515 tors. eta vs tors. theta energy: -29.600 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: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -511.111710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.111710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.111710 (E_RNA) where: Base-Base interactions energy: -306.309 where: short stacking energy: -142.951 Base-Backbone interact. energy: -3.265 local terms energy: -201.537932 where: bonds (distance) C4'-P energy: -48.383 bonds (distance) P-C4' energy: -58.836 flat angles C4'-P-C4' energy: -41.386 flat angles P-C4'-P energy: -40.210 tors. eta vs tors. theta energy: -12.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -408.143883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.143883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.143883 (E_RNA) where: Base-Base interactions energy: -196.522 where: short stacking energy: -115.960 Base-Backbone interact. energy: -1.342 local terms energy: -210.278990 where: bonds (distance) C4'-P energy: -57.150 bonds (distance) P-C4' energy: -63.998 flat angles C4'-P-C4' energy: -57.719 flat angles P-C4'-P energy: -27.641 tors. eta vs tors. theta energy: -3.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -324.586471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.586471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.586471 (E_RNA) where: Base-Base interactions energy: -133.621 where: short stacking energy: -92.146 Base-Backbone interact. energy: -2.110 local terms energy: -188.855820 where: bonds (distance) C4'-P energy: -58.663 bonds (distance) P-C4' energy: -52.965 flat angles C4'-P-C4' energy: -42.290 flat angles P-C4'-P energy: -36.065 tors. eta vs tors. theta energy: 1.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -1112.001822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.001822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.001822 (E_RNA) where: Base-Base interactions energy: -777.207 where: short stacking energy: -305.678 Base-Backbone interact. energy: -2.552 local terms energy: -332.242617 where: bonds (distance) C4'-P energy: -61.196 bonds (distance) P-C4' energy: -62.798 flat angles C4'-P-C4' energy: -79.336 flat angles P-C4'-P energy: -47.603 tors. eta vs tors. theta energy: -81.310 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: 2 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -946.493586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.493586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.493586 (E_RNA) where: Base-Base interactions energy: -625.191 where: short stacking energy: -251.206 Base-Backbone interact. energy: -5.269 local terms energy: -316.033589 where: bonds (distance) C4'-P energy: -65.800 bonds (distance) P-C4' energy: -62.546 flat angles C4'-P-C4' energy: -72.713 flat angles P-C4'-P energy: -50.471 tors. eta vs tors. theta energy: -64.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -950.537784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.537784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.537784 (E_RNA) where: Base-Base interactions energy: -640.390 where: short stacking energy: -286.301 Base-Backbone interact. energy: -0.541 local terms energy: -309.606970 where: bonds (distance) C4'-P energy: -59.448 bonds (distance) P-C4' energy: -63.369 flat angles C4'-P-C4' energy: -67.470 flat angles P-C4'-P energy: -43.196 tors. eta vs tors. theta energy: -76.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -892.384574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.384574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.384574 (E_RNA) where: Base-Base interactions energy: -585.801 where: short stacking energy: -263.954 Base-Backbone interact. energy: -3.527 local terms energy: -303.055950 where: bonds (distance) C4'-P energy: -62.113 bonds (distance) P-C4' energy: -61.476 flat angles C4'-P-C4' energy: -68.530 flat angles P-C4'-P energy: -44.604 tors. eta vs tors. theta energy: -66.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -801.897608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.897608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.897608 (E_RNA) where: Base-Base interactions energy: -526.581 where: short stacking energy: -224.121 Base-Backbone interact. energy: 0.822 local terms energy: -276.138424 where: bonds (distance) C4'-P energy: -63.446 bonds (distance) P-C4' energy: -67.101 flat angles C4'-P-C4' energy: -55.933 flat angles P-C4'-P energy: -43.025 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: 6, replica: 10 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -670.423939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.423939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.423939 (E_RNA) where: Base-Base interactions energy: -432.380 where: short stacking energy: -209.138 Base-Backbone interact. energy: -1.613 local terms energy: -236.430682 where: bonds (distance) C4'-P energy: -41.991 bonds (distance) P-C4' energy: -57.478 flat angles C4'-P-C4' energy: -53.681 flat angles P-C4'-P energy: -46.089 tors. eta vs tors. theta energy: -37.192 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: 7, replica: 5 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -593.469739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.469739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.469739 (E_RNA) where: Base-Base interactions energy: -343.697 where: short stacking energy: -151.913 Base-Backbone interact. energy: 0.694 local terms energy: -250.466099 where: bonds (distance) C4'-P energy: -70.776 bonds (distance) P-C4' energy: -65.174 flat angles C4'-P-C4' energy: -59.451 flat angles P-C4'-P energy: -35.533 tors. eta vs tors. theta energy: -19.533 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: 4 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -496.257093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.257093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.257093 (E_RNA) where: Base-Base interactions energy: -284.714 where: short stacking energy: -147.564 Base-Backbone interact. energy: -0.906 local terms energy: -210.636894 where: bonds (distance) C4'-P energy: -60.549 bonds (distance) P-C4' energy: -53.444 flat angles C4'-P-C4' energy: -48.959 flat angles P-C4'-P energy: -33.447 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: 9, replica: 7 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -415.899655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.899655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.899655 (E_RNA) where: Base-Base interactions energy: -213.846 where: short stacking energy: -129.667 Base-Backbone interact. energy: 0.446 local terms energy: -202.499390 where: bonds (distance) C4'-P energy: -49.209 bonds (distance) P-C4' energy: -59.044 flat angles C4'-P-C4' energy: -56.490 flat angles P-C4'-P energy: -28.640 tors. eta vs tors. theta energy: -9.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -335.327103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -335.327103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -335.327103 (E_RNA) where: Base-Base interactions energy: -159.603 where: short stacking energy: -86.393 Base-Backbone interact. energy: -2.884 local terms energy: -172.839529 where: bonds (distance) C4'-P energy: -60.340 bonds (distance) P-C4' energy: -54.709 flat angles C4'-P-C4' energy: -40.505 flat angles P-C4'-P energy: -25.116 tors. eta vs tors. theta energy: 7.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -1090.210010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.210010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.210010 (E_RNA) where: Base-Base interactions energy: -774.008 where: short stacking energy: -307.431 Base-Backbone interact. energy: 2.964 local terms energy: -319.166152 where: bonds (distance) C4'-P energy: -66.938 bonds (distance) P-C4' energy: -62.588 flat angles C4'-P-C4' energy: -62.866 flat angles P-C4'-P energy: -42.368 tors. eta vs tors. theta energy: -84.407 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: 8 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -1008.490832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.490832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.490832 (E_RNA) where: Base-Base interactions energy: -670.825 where: short stacking energy: -312.784 Base-Backbone interact. energy: -4.379 local terms energy: -333.286445 where: bonds (distance) C4'-P energy: -60.665 bonds (distance) P-C4' energy: -60.699 flat angles C4'-P-C4' energy: -72.188 flat angles P-C4'-P energy: -44.049 tors. eta vs tors. theta energy: -95.686 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: 2 ===================================== Write number: 41 Temperature: 1.000000 Total energy: -907.405294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.405294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.405294 (E_RNA) where: Base-Base interactions energy: -596.516 where: short stacking energy: -259.058 Base-Backbone interact. energy: -0.861 local terms energy: -310.029230 where: bonds (distance) C4'-P energy: -66.125 bonds (distance) P-C4' energy: -62.161 flat angles C4'-P-C4' energy: -71.610 flat angles P-C4'-P energy: -46.080 tors. eta vs tors. theta energy: -64.053 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: 6 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -867.462724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.462724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.462724 (E_RNA) where: Base-Base interactions energy: -566.508 where: short stacking energy: -251.103 Base-Backbone interact. energy: -1.902 local terms energy: -299.052348 where: bonds (distance) C4'-P energy: -66.075 bonds (distance) P-C4' energy: -55.243 flat angles C4'-P-C4' energy: -67.531 flat angles P-C4'-P energy: -49.679 tors. eta vs tors. theta energy: -60.524 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: 5, replica: 1 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -824.578079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.578079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.578079 (E_RNA) where: Base-Base interactions energy: -552.276 where: short stacking energy: -234.508 Base-Backbone interact. energy: 0.383 local terms energy: -272.685551 where: bonds (distance) C4'-P energy: -61.861 bonds (distance) P-C4' energy: -59.482 flat angles C4'-P-C4' energy: -59.249 flat angles P-C4'-P energy: -40.821 tors. eta vs tors. theta energy: -51.272 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: 10 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -736.894256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.894256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.894256 (E_RNA) where: Base-Base interactions energy: -471.304 where: short stacking energy: -242.523 Base-Backbone interact. energy: -2.841 local terms energy: -262.748754 where: bonds (distance) C4'-P energy: -43.423 bonds (distance) P-C4' energy: -63.062 flat angles C4'-P-C4' energy: -66.097 flat angles P-C4'-P energy: -39.028 tors. eta vs tors. theta energy: -51.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -590.910725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.910725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.910725 (E_RNA) where: Base-Base interactions energy: -337.588 where: short stacking energy: -163.063 Base-Backbone interact. energy: -1.429 local terms energy: -251.893478 where: bonds (distance) C4'-P energy: -51.434 bonds (distance) P-C4' energy: -66.060 flat angles C4'-P-C4' energy: -63.638 flat angles P-C4'-P energy: -30.467 tors. eta vs tors. theta energy: -40.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -459.006224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.006224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.006224 (E_RNA) where: Base-Base interactions energy: -254.508 where: short stacking energy: -127.470 Base-Backbone interact. energy: 0.720 local terms energy: -205.218186 where: bonds (distance) C4'-P energy: -53.046 bonds (distance) P-C4' energy: -68.390 flat angles C4'-P-C4' energy: -50.832 flat angles P-C4'-P energy: -29.897 tors. eta vs tors. theta energy: -3.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -429.916400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.916400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.916400 (E_RNA) where: Base-Base interactions energy: -194.766 where: short stacking energy: -126.567 Base-Backbone interact. energy: -2.147 local terms energy: -233.003719 where: bonds (distance) C4'-P energy: -59.614 bonds (distance) P-C4' energy: -63.419 flat angles C4'-P-C4' energy: -51.174 flat angles P-C4'-P energy: -39.084 tors. eta vs tors. theta energy: -19.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -337.077010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.077010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.077010 (E_RNA) where: Base-Base interactions energy: -170.823 where: short stacking energy: -95.152 Base-Backbone interact. energy: -1.676 local terms energy: -164.578024 where: bonds (distance) C4'-P energy: -46.738 bonds (distance) P-C4' energy: -60.333 flat angles C4'-P-C4' energy: -40.051 flat angles P-C4'-P energy: -22.598 tors. eta vs tors. theta energy: 5.142 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: 3 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -1074.369052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.369052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.369052 (E_RNA) where: Base-Base interactions energy: -731.079 where: short stacking energy: -290.005 Base-Backbone interact. energy: -1.933 local terms energy: -341.357730 where: bonds (distance) C4'-P energy: -68.929 bonds (distance) P-C4' energy: -71.245 flat angles C4'-P-C4' energy: -74.774 flat angles P-C4'-P energy: -52.839 tors. eta vs tors. theta energy: -73.572 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: 8 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -1029.418615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.418615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.418615 (E_RNA) where: Base-Base interactions energy: -699.411 where: short stacking energy: -311.744 Base-Backbone interact. energy: -0.183 local terms energy: -329.824859 where: bonds (distance) C4'-P energy: -60.941 bonds (distance) P-C4' energy: -66.315 flat angles C4'-P-C4' energy: -72.713 flat angles P-C4'-P energy: -48.399 tors. eta vs tors. theta energy: -81.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -918.714038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.714038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.714038 (E_RNA) where: Base-Base interactions energy: -618.431 where: short stacking energy: -266.605 Base-Backbone interact. energy: -2.241 local terms energy: -298.041882 where: bonds (distance) C4'-P energy: -57.910 bonds (distance) P-C4' energy: -64.845 flat angles C4'-P-C4' energy: -71.287 flat angles P-C4'-P energy: -38.217 tors. eta vs tors. theta energy: -65.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 42 Temperature: 1.050000 Total energy: -879.227677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.227677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.227677 (E_RNA) where: Base-Base interactions energy: -595.336 where: short stacking energy: -243.949 Base-Backbone interact. energy: -2.008 local terms energy: -281.884013 where: bonds (distance) C4'-P energy: -59.574 bonds (distance) P-C4' energy: -64.745 flat angles C4'-P-C4' energy: -57.959 flat angles P-C4'-P energy: -40.466 tors. eta vs tors. theta energy: -59.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -794.144437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.144437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.144437 (E_RNA) where: Base-Base interactions energy: -520.615 where: short stacking energy: -245.607 Base-Backbone interact. energy: -1.994 local terms energy: -271.534938 where: bonds (distance) C4'-P energy: -68.485 bonds (distance) P-C4' energy: -60.490 flat angles C4'-P-C4' energy: -54.414 flat angles P-C4'-P energy: -32.246 tors. eta vs tors. theta energy: -55.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -716.615562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.615562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.615562 (E_RNA) where: Base-Base interactions energy: -470.112 where: short stacking energy: -200.992 Base-Backbone interact. energy: -1.462 local terms energy: -245.042117 where: bonds (distance) C4'-P energy: -50.100 bonds (distance) P-C4' energy: -48.460 flat angles C4'-P-C4' energy: -63.633 flat angles P-C4'-P energy: -33.644 tors. eta vs tors. theta energy: -49.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -569.623306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.623306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.623306 (E_RNA) where: Base-Base interactions energy: -320.971 where: short stacking energy: -160.366 Base-Backbone interact. energy: -1.649 local terms energy: -247.003308 where: bonds (distance) C4'-P energy: -50.541 bonds (distance) P-C4' energy: -72.342 flat angles C4'-P-C4' energy: -69.680 flat angles P-C4'-P energy: -30.288 tors. eta vs tors. theta energy: -24.152 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: 42 Temperature: 1.250000 Total energy: -470.340096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.340096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.340096 (E_RNA) where: Base-Base interactions energy: -251.266 where: short stacking energy: -132.962 Base-Backbone interact. energy: -0.075 local terms energy: -218.998544 where: bonds (distance) C4'-P energy: -61.769 bonds (distance) P-C4' energy: -55.155 flat angles C4'-P-C4' energy: -56.372 flat angles P-C4'-P energy: -32.298 tors. eta vs tors. theta energy: -13.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -386.272887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.272887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.272887 (E_RNA) where: Base-Base interactions energy: -194.482 where: short stacking energy: -123.201 Base-Backbone interact. energy: -0.749 local terms energy: -191.042271 where: bonds (distance) C4'-P energy: -50.122 bonds (distance) P-C4' energy: -53.453 flat angles C4'-P-C4' energy: -44.555 flat angles P-C4'-P energy: -25.887 tors. eta vs tors. theta energy: -17.026 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: 9 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -323.339978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -323.339978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -323.339978 (E_RNA) where: Base-Base interactions energy: -139.053 where: short stacking energy: -99.966 Base-Backbone interact. energy: -1.671 local terms energy: -182.615924 where: bonds (distance) C4'-P energy: -53.174 bonds (distance) P-C4' energy: -55.677 flat angles C4'-P-C4' energy: -58.960 flat angles P-C4'-P energy: -23.250 tors. eta vs tors. theta energy: 8.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -1069.419963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.419963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.419963 (E_RNA) where: Base-Base interactions energy: -747.176 where: short stacking energy: -306.258 Base-Backbone interact. energy: -0.129 local terms energy: -322.114575 where: bonds (distance) C4'-P energy: -70.940 bonds (distance) P-C4' energy: -60.879 flat angles C4'-P-C4' energy: -63.915 flat angles P-C4'-P energy: -49.229 tors. eta vs tors. theta energy: -77.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -1021.433049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.433049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.433049 (E_RNA) where: Base-Base interactions energy: -695.390 where: short stacking energy: -308.151 Base-Backbone interact. energy: -0.281 local terms energy: -325.761934 where: bonds (distance) C4'-P energy: -63.437 bonds (distance) P-C4' energy: -67.315 flat angles C4'-P-C4' energy: -72.504 flat angles P-C4'-P energy: -45.530 tors. eta vs tors. theta energy: -76.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -924.657826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.657826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.657826 (E_RNA) where: Base-Base interactions energy: -616.681 where: short stacking energy: -276.596 Base-Backbone interact. energy: -0.541 local terms energy: -307.436136 where: bonds (distance) C4'-P energy: -66.579 bonds (distance) P-C4' energy: -59.189 flat angles C4'-P-C4' energy: -67.612 flat angles P-C4'-P energy: -47.713 tors. eta vs tors. theta energy: -66.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -878.028298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.028298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.028298 (E_RNA) where: Base-Base interactions energy: -587.011 where: short stacking energy: -245.181 Base-Backbone interact. energy: -2.887 local terms energy: -288.129835 where: bonds (distance) C4'-P energy: -59.335 bonds (distance) P-C4' energy: -68.248 flat angles C4'-P-C4' energy: -62.900 flat angles P-C4'-P energy: -36.770 tors. eta vs tors. theta energy: -60.877 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: 5, replica: 1 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -815.447743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.447743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.447743 (E_RNA) where: Base-Base interactions energy: -538.670 where: short stacking energy: -250.585 Base-Backbone interact. energy: -2.208 local terms energy: -274.569283 where: bonds (distance) C4'-P energy: -54.663 bonds (distance) P-C4' energy: -52.692 flat angles C4'-P-C4' energy: -65.635 flat angles P-C4'-P energy: -47.777 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: 6, replica: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -681.771764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.771764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.771764 (E_RNA) where: Base-Base interactions energy: -427.073 where: short stacking energy: -198.219 Base-Backbone interact. energy: -2.461 local terms energy: -252.237331 where: bonds (distance) C4'-P energy: -57.981 bonds (distance) P-C4' energy: -53.819 flat angles C4'-P-C4' energy: -58.036 flat angles P-C4'-P energy: -43.297 tors. eta vs tors. theta energy: -39.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -551.574223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.574223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.574223 (E_RNA) where: Base-Base interactions energy: -320.630 where: short stacking energy: -146.951 Base-Backbone interact. energy: -1.064 local terms energy: -229.880105 where: bonds (distance) C4'-P energy: -52.991 bonds (distance) P-C4' energy: -60.566 flat angles C4'-P-C4' energy: -64.705 flat angles P-C4'-P energy: -25.205 tors. eta vs tors. theta energy: -26.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -450.082767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.082767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.082767 (E_RNA) where: Base-Base interactions energy: -255.778 where: short stacking energy: -157.028 Base-Backbone interact. energy: -1.460 local terms energy: -192.845252 where: bonds (distance) C4'-P energy: -54.646 bonds (distance) P-C4' energy: -52.558 flat angles C4'-P-C4' energy: -39.839 flat angles P-C4'-P energy: -26.995 tors. eta vs tors. theta energy: -18.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -454.895427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -454.895427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -454.895427 (E_RNA) where: Base-Base interactions energy: -248.913 where: short stacking energy: -135.773 Base-Backbone interact. energy: -0.918 local terms energy: -205.064923 where: bonds (distance) C4'-P energy: -50.305 bonds (distance) P-C4' energy: -55.478 flat angles C4'-P-C4' energy: -43.621 flat angles P-C4'-P energy: -38.290 tors. eta vs tors. theta energy: -17.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -284.500754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.500754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.500754 (E_RNA) where: Base-Base interactions energy: -115.122 where: short stacking energy: -70.925 Base-Backbone interact. energy: 0.359 local terms energy: -169.737468 where: bonds (distance) C4'-P energy: -53.141 bonds (distance) P-C4' energy: -61.977 flat angles C4'-P-C4' energy: -36.035 flat angles P-C4'-P energy: -32.471 tors. eta vs tors. theta energy: 13.885 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: 1, replica: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -1082.842408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.842408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.842408 (E_RNA) where: Base-Base interactions energy: -746.056 where: short stacking energy: -327.577 Base-Backbone interact. energy: -1.625 local terms energy: -335.161801 where: bonds (distance) C4'-P energy: -70.045 bonds (distance) P-C4' energy: -62.769 flat angles C4'-P-C4' energy: -69.697 flat angles P-C4'-P energy: -46.077 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: 2, replica: 8 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -1030.535868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.535868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.535868 (E_RNA) where: Base-Base interactions energy: -704.609 where: short stacking energy: -291.687 Base-Backbone interact. energy: -0.517 local terms energy: -325.410102 where: bonds (distance) C4'-P energy: -62.322 bonds (distance) P-C4' energy: -59.394 flat angles C4'-P-C4' energy: -73.050 flat angles P-C4'-P energy: -46.036 tors. eta vs tors. theta energy: -84.607 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: 2 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -905.644245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.644245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.644245 (E_RNA) where: Base-Base interactions energy: -625.831 where: short stacking energy: -252.870 Base-Backbone interact. energy: -0.524 local terms energy: -279.288646 where: bonds (distance) C4'-P energy: -57.358 bonds (distance) P-C4' energy: -62.336 flat angles C4'-P-C4' energy: -68.336 flat angles P-C4'-P energy: -32.665 tors. eta vs tors. theta energy: -58.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -884.295851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.295851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.295851 (E_RNA) where: Base-Base interactions energy: -579.107 where: short stacking energy: -257.884 Base-Backbone interact. energy: -3.124 local terms energy: -302.064963 where: bonds (distance) C4'-P energy: -59.588 bonds (distance) P-C4' energy: -60.879 flat angles C4'-P-C4' energy: -69.908 flat angles P-C4'-P energy: -46.846 tors. eta vs tors. theta energy: -64.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -830.686499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.686499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.686499 (E_RNA) where: Base-Base interactions energy: -549.586 where: short stacking energy: -242.004 Base-Backbone interact. energy: -4.148 local terms energy: -276.952504 where: bonds (distance) C4'-P energy: -53.159 bonds (distance) P-C4' energy: -51.788 flat angles C4'-P-C4' energy: -66.944 flat angles P-C4'-P energy: -40.399 tors. eta vs tors. theta energy: -64.662 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: 6, replica: 10 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -662.301363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.301363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.301363 (E_RNA) where: Base-Base interactions energy: -424.094 where: short stacking energy: -196.229 Base-Backbone interact. energy: -0.602 local terms energy: -237.605151 where: bonds (distance) C4'-P energy: -54.855 bonds (distance) P-C4' energy: -56.330 flat angles C4'-P-C4' energy: -60.912 flat angles P-C4'-P energy: -32.353 tors. eta vs tors. theta energy: -33.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -619.060473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.060473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.060473 (E_RNA) where: Base-Base interactions energy: -393.495 where: short stacking energy: -182.586 Base-Backbone interact. energy: -1.398 local terms energy: -224.167982 where: bonds (distance) C4'-P energy: -48.687 bonds (distance) P-C4' energy: -56.249 flat angles C4'-P-C4' energy: -67.370 flat angles P-C4'-P energy: -16.237 tors. eta vs tors. theta energy: -35.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -409.887159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.887159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.887159 (E_RNA) where: Base-Base interactions energy: -194.338 where: short stacking energy: -112.559 Base-Backbone interact. energy: 2.106 local terms energy: -217.654883 where: bonds (distance) C4'-P energy: -52.313 bonds (distance) P-C4' energy: -69.879 flat angles C4'-P-C4' energy: -52.589 flat angles P-C4'-P energy: -35.457 tors. eta vs tors. theta energy: -7.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -359.811370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.811370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.811370 (E_RNA) where: Base-Base interactions energy: -159.357 where: short stacking energy: -108.301 Base-Backbone interact. energy: -1.439 local terms energy: -199.015439 where: bonds (distance) C4'-P energy: -58.669 bonds (distance) P-C4' energy: -58.218 flat angles C4'-P-C4' energy: -53.837 flat angles P-C4'-P energy: -30.305 tors. eta vs tors. theta energy: 2.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -429.397729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.397729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.397729 (E_RNA) where: Base-Base interactions energy: -243.337 where: short stacking energy: -120.112 Base-Backbone interact. energy: -2.375 local terms energy: -183.685617 where: bonds (distance) C4'-P energy: -53.622 bonds (distance) P-C4' energy: -64.578 flat angles C4'-P-C4' energy: -46.421 flat angles P-C4'-P energy: -29.234 tors. eta vs tors. theta energy: 10.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -1066.994692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.994692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.994692 (E_RNA) where: Base-Base interactions energy: -714.129 where: short stacking energy: -314.343 Base-Backbone interact. energy: -0.932 local terms energy: -351.934076 where: bonds (distance) C4'-P energy: -67.228 bonds (distance) P-C4' energy: -68.205 flat angles C4'-P-C4' energy: -78.617 flat angles P-C4'-P energy: -48.921 tors. eta vs tors. theta energy: -88.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -1005.751729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.751729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.751729 (E_RNA) where: Base-Base interactions energy: -664.587 where: short stacking energy: -287.951 Base-Backbone interact. energy: -0.533 local terms energy: -340.631790 where: bonds (distance) C4'-P energy: -61.479 bonds (distance) P-C4' energy: -60.439 flat angles C4'-P-C4' energy: -74.928 flat angles P-C4'-P energy: -54.544 tors. eta vs tors. theta energy: -89.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -921.932181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.932181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.932181 (E_RNA) where: Base-Base interactions energy: -637.080 where: short stacking energy: -246.183 Base-Backbone interact. energy: -1.224 local terms energy: -283.627888 where: bonds (distance) C4'-P energy: -61.480 bonds (distance) P-C4' energy: -57.143 flat angles C4'-P-C4' energy: -59.391 flat angles P-C4'-P energy: -41.243 tors. eta vs tors. theta energy: -64.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -877.612435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.612435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.612435 (E_RNA) where: Base-Base interactions energy: -609.421 where: short stacking energy: -257.561 Base-Backbone interact. energy: 4.942 local terms energy: -273.133725 where: bonds (distance) C4'-P energy: -56.926 bonds (distance) P-C4' energy: -44.268 flat angles C4'-P-C4' energy: -60.878 flat angles P-C4'-P energy: -47.933 tors. eta vs tors. theta energy: -63.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -831.295068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.295068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.295068 (E_RNA) where: Base-Base interactions energy: -555.236 where: short stacking energy: -256.203 Base-Backbone interact. energy: -2.451 local terms energy: -273.608043 where: bonds (distance) C4'-P energy: -55.740 bonds (distance) P-C4' energy: -66.922 flat angles C4'-P-C4' energy: -53.305 flat angles P-C4'-P energy: -47.759 tors. eta vs tors. theta energy: -49.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -631.923602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.923602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.923602 (E_RNA) where: Base-Base interactions energy: -371.010 where: short stacking energy: -193.089 Base-Backbone interact. energy: -1.038 local terms energy: -259.875355 where: bonds (distance) C4'-P energy: -57.627 bonds (distance) P-C4' energy: -46.740 flat angles C4'-P-C4' energy: -67.389 flat angles P-C4'-P energy: -45.726 tors. eta vs tors. theta energy: -42.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -571.853295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.853295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.853295 (E_RNA) where: Base-Base interactions energy: -345.091 where: short stacking energy: -158.784 Base-Backbone interact. energy: -0.158 local terms energy: -226.604402 where: bonds (distance) C4'-P energy: -60.376 bonds (distance) P-C4' energy: -67.053 flat angles C4'-P-C4' energy: -43.795 flat angles P-C4'-P energy: -34.418 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: 8, replica: 7 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -461.603151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -461.603151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -461.603151 (E_RNA) where: Base-Base interactions energy: -247.781 where: short stacking energy: -146.399 Base-Backbone interact. energy: -1.565 local terms energy: -212.257214 where: bonds (distance) C4'-P energy: -49.973 bonds (distance) P-C4' energy: -52.377 flat angles C4'-P-C4' energy: -53.954 flat angles P-C4'-P energy: -34.414 tors. eta vs tors. theta energy: -21.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -351.180784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -351.180784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -351.180784 (E_RNA) where: Base-Base interactions energy: -158.051 where: short stacking energy: -84.334 Base-Backbone interact. energy: -2.290 local terms energy: -190.839499 where: bonds (distance) C4'-P energy: -57.282 bonds (distance) P-C4' energy: -62.569 flat angles C4'-P-C4' energy: -41.636 flat angles P-C4'-P energy: -29.973 tors. eta vs tors. theta energy: 0.621 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: 10, replica: 4 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -424.712779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.712779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.712779 (E_RNA) where: Base-Base interactions energy: -241.962 where: short stacking energy: -112.683 Base-Backbone interact. energy: -0.640 local terms energy: -182.110366 where: bonds (distance) C4'-P energy: -54.074 bonds (distance) P-C4' energy: -46.663 flat angles C4'-P-C4' energy: -47.600 flat angles P-C4'-P energy: -33.545 tors. eta vs tors. theta energy: -0.227 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: 3 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -1058.550865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.550865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.550865 (E_RNA) where: Base-Base interactions energy: -720.729 where: short stacking energy: -311.443 Base-Backbone interact. energy: -1.654 local terms energy: -336.167674 where: bonds (distance) C4'-P energy: -60.846 bonds (distance) P-C4' energy: -64.779 flat angles C4'-P-C4' energy: -64.639 flat angles P-C4'-P energy: -58.262 tors. eta vs tors. theta energy: -87.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 46 Temperature: 0.950000 Total energy: -1012.048823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.048823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.048823 (E_RNA) where: Base-Base interactions energy: -681.002 where: short stacking energy: -299.424 Base-Backbone interact. energy: 2.421 local terms energy: -333.467661 where: bonds (distance) C4'-P energy: -66.743 bonds (distance) P-C4' energy: -67.514 flat angles C4'-P-C4' energy: -68.084 flat angles P-C4'-P energy: -48.781 tors. eta vs tors. theta energy: -82.345 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: 2 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -932.364508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -932.364508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -932.364508 (E_RNA) where: Base-Base interactions energy: -628.757 where: short stacking energy: -249.329 Base-Backbone interact. energy: -0.082 local terms energy: -303.525567 where: bonds (distance) C4'-P energy: -65.217 bonds (distance) P-C4' energy: -66.554 flat angles C4'-P-C4' energy: -65.674 flat angles P-C4'-P energy: -43.145 tors. eta vs tors. theta energy: -62.936 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: 6 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -856.464723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.464723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.464723 (E_RNA) where: Base-Base interactions energy: -559.376 where: short stacking energy: -244.586 Base-Backbone interact. energy: -3.889 local terms energy: -293.199369 where: bonds (distance) C4'-P energy: -66.577 bonds (distance) P-C4' energy: -57.224 flat angles C4'-P-C4' energy: -64.644 flat angles P-C4'-P energy: -44.503 tors. eta vs tors. theta energy: -60.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -839.602716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.602716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.602716 (E_RNA) where: Base-Base interactions energy: -535.185 where: short stacking energy: -235.963 Base-Backbone interact. energy: -0.946 local terms energy: -303.471962 where: bonds (distance) C4'-P energy: -65.682 bonds (distance) P-C4' energy: -63.793 flat angles C4'-P-C4' energy: -68.297 flat angles P-C4'-P energy: -45.278 tors. eta vs tors. theta energy: -60.422 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: 5 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -605.866683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.866683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.866683 (E_RNA) where: Base-Base interactions energy: -346.536 where: short stacking energy: -162.342 Base-Backbone interact. energy: -1.640 local terms energy: -257.690188 where: bonds (distance) C4'-P energy: -68.747 bonds (distance) P-C4' energy: -68.421 flat angles C4'-P-C4' energy: -52.841 flat angles P-C4'-P energy: -47.415 tors. eta vs tors. theta energy: -20.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -590.823387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.823387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.823387 (E_RNA) where: Base-Base interactions energy: -366.022 where: short stacking energy: -160.119 Base-Backbone interact. energy: -2.020 local terms energy: -222.781161 where: bonds (distance) C4'-P energy: -51.894 bonds (distance) P-C4' energy: -63.078 flat angles C4'-P-C4' energy: -50.294 flat angles P-C4'-P energy: -37.621 tors. eta vs tors. theta energy: -19.895 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: 7 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -416.502982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.502982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.502982 (E_RNA) where: Base-Base interactions energy: -203.490 where: short stacking energy: -124.946 Base-Backbone interact. energy: 0.394 local terms energy: -213.406818 where: bonds (distance) C4'-P energy: -55.562 bonds (distance) P-C4' energy: -60.360 flat angles C4'-P-C4' energy: -57.104 flat angles P-C4'-P energy: -28.170 tors. eta vs tors. theta energy: -12.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -421.696499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.696499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.696499 (E_RNA) where: Base-Base interactions energy: -249.401 where: short stacking energy: -111.936 Base-Backbone interact. energy: 0.578 local terms energy: -172.873736 where: bonds (distance) C4'-P energy: -49.998 bonds (distance) P-C4' energy: -51.536 flat angles C4'-P-C4' energy: -29.338 flat angles P-C4'-P energy: -34.663 tors. eta vs tors. theta energy: -7.339 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: 9 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -406.294604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.294604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.294604 (E_RNA) where: Base-Base interactions energy: -213.012 where: short stacking energy: -99.551 Base-Backbone interact. energy: 2.475 local terms energy: -195.758184 where: bonds (distance) C4'-P energy: -58.489 bonds (distance) P-C4' energy: -63.066 flat angles C4'-P-C4' energy: -44.304 flat angles P-C4'-P energy: -35.952 tors. eta vs tors. theta energy: 6.054 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: 3 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -1034.171686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.171686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.171686 (E_RNA) where: Base-Base interactions energy: -698.772 where: short stacking energy: -280.053 Base-Backbone interact. energy: -5.078 local terms energy: -330.320954 where: bonds (distance) C4'-P energy: -62.290 bonds (distance) P-C4' energy: -67.498 flat angles C4'-P-C4' energy: -73.950 flat angles P-C4'-P energy: -49.118 tors. eta vs tors. theta energy: -77.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -1035.442472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.442472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.442472 (E_RNA) where: Base-Base interactions energy: -705.903 where: short stacking energy: -294.207 Base-Backbone interact. energy: -0.531 local terms energy: -329.008108 where: bonds (distance) C4'-P energy: -62.598 bonds (distance) P-C4' energy: -75.019 flat angles C4'-P-C4' energy: -70.423 flat angles P-C4'-P energy: -38.211 tors. eta vs tors. theta energy: -82.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -904.414826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.414826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.414826 (E_RNA) where: Base-Base interactions energy: -613.469 where: short stacking energy: -264.298 Base-Backbone interact. energy: 2.113 local terms energy: -293.058933 where: bonds (distance) C4'-P energy: -57.006 bonds (distance) P-C4' energy: -67.204 flat angles C4'-P-C4' energy: -58.836 flat angles P-C4'-P energy: -42.938 tors. eta vs tors. theta energy: -67.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -853.219042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.219042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.219042 (E_RNA) where: Base-Base interactions energy: -556.725 where: short stacking energy: -242.252 Base-Backbone interact. energy: 3.681 local terms energy: -300.175212 where: bonds (distance) C4'-P energy: -61.607 bonds (distance) P-C4' energy: -69.553 flat angles C4'-P-C4' energy: -74.180 flat angles P-C4'-P energy: -42.269 tors. eta vs tors. theta energy: -52.566 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: 5, replica: 1 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -811.449355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.449355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.449355 (E_RNA) where: Base-Base interactions energy: -531.119 where: short stacking energy: -221.208 Base-Backbone interact. energy: -0.820 local terms energy: -279.510257 where: bonds (distance) C4'-P energy: -67.216 bonds (distance) P-C4' energy: -62.153 flat angles C4'-P-C4' energy: -54.775 flat angles P-C4'-P energy: -38.962 tors. eta vs tors. theta energy: -56.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -636.001214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.001214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.001214 (E_RNA) where: Base-Base interactions energy: -377.337 where: short stacking energy: -191.144 Base-Backbone interact. energy: -1.304 local terms energy: -257.360676 where: bonds (distance) C4'-P energy: -57.258 bonds (distance) P-C4' energy: -61.843 flat angles C4'-P-C4' energy: -65.426 flat angles P-C4'-P energy: -41.531 tors. eta vs tors. theta energy: -31.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -608.447922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.447922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.447922 (E_RNA) where: Base-Base interactions energy: -356.741 where: short stacking energy: -177.857 Base-Backbone interact. energy: -0.706 local terms energy: -251.000743 where: bonds (distance) C4'-P energy: -47.529 bonds (distance) P-C4' energy: -58.536 flat angles C4'-P-C4' energy: -74.779 flat angles P-C4'-P energy: -35.601 tors. eta vs tors. theta energy: -34.555 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: 4 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -464.810737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.810737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.810737 (E_RNA) where: Base-Base interactions energy: -248.728 where: short stacking energy: -117.595 Base-Backbone interact. energy: -2.387 local terms energy: -213.694801 where: bonds (distance) C4'-P energy: -58.703 bonds (distance) P-C4' energy: -57.091 flat angles C4'-P-C4' energy: -56.516 flat angles P-C4'-P energy: -31.086 tors. eta vs tors. theta energy: -10.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -417.870614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.870614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.870614 (E_RNA) where: Base-Base interactions energy: -220.700 where: short stacking energy: -136.872 Base-Backbone interact. energy: -0.227 local terms energy: -196.944052 where: bonds (distance) C4'-P energy: -40.243 bonds (distance) P-C4' energy: -58.237 flat angles C4'-P-C4' energy: -49.499 flat angles P-C4'-P energy: -41.608 tors. eta vs tors. theta energy: -7.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 9 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -487.991142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -487.991142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -487.991142 (E_RNA) where: Base-Base interactions energy: -289.638 where: short stacking energy: -121.629 Base-Backbone interact. energy: -1.192 local terms energy: -197.160590 where: bonds (distance) C4'-P energy: -50.915 bonds (distance) P-C4' energy: -64.846 flat angles C4'-P-C4' energy: -48.174 flat angles P-C4'-P energy: -27.378 tors. eta vs tors. theta energy: -5.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -1066.191776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.191776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.191776 (E_RNA) where: Base-Base interactions energy: -724.974 where: short stacking energy: -315.424 Base-Backbone interact. energy: -2.281 local terms energy: -338.936132 where: bonds (distance) C4'-P energy: -63.229 bonds (distance) P-C4' energy: -71.223 flat angles C4'-P-C4' energy: -68.956 flat angles P-C4'-P energy: -48.750 tors. eta vs tors. theta energy: -86.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -1061.625225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.625225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.625225 (E_RNA) where: Base-Base interactions energy: -734.335 where: short stacking energy: -312.280 Base-Backbone interact. energy: -1.090 local terms energy: -326.200133 where: bonds (distance) C4'-P energy: -66.362 bonds (distance) P-C4' energy: -63.355 flat angles C4'-P-C4' energy: -69.758 flat angles P-C4'-P energy: -38.835 tors. eta vs tors. theta energy: -87.891 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: 3, replica: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -926.993074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.993074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.993074 (E_RNA) where: Base-Base interactions energy: -617.641 where: short stacking energy: -261.714 Base-Backbone interact. energy: -3.399 local terms energy: -305.953310 where: bonds (distance) C4'-P energy: -49.330 bonds (distance) P-C4' energy: -66.737 flat angles C4'-P-C4' energy: -72.451 flat angles P-C4'-P energy: -53.819 tors. eta vs tors. theta energy: -63.616 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: 4, replica: 6 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -872.962287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.962287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.962287 (E_RNA) where: Base-Base interactions energy: -592.097 where: short stacking energy: -247.616 Base-Backbone interact. energy: -0.705 local terms energy: -280.160785 where: bonds (distance) C4'-P energy: -57.570 bonds (distance) P-C4' energy: -62.199 flat angles C4'-P-C4' energy: -56.912 flat angles P-C4'-P energy: -40.792 tors. eta vs tors. theta energy: -62.688 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: 1 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -877.957659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.957659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.957659 (E_RNA) where: Base-Base interactions energy: -594.555 where: short stacking energy: -242.188 Base-Backbone interact. energy: -0.514 local terms energy: -282.888750 where: bonds (distance) C4'-P energy: -55.086 bonds (distance) P-C4' energy: -71.205 flat angles C4'-P-C4' energy: -52.886 flat angles P-C4'-P energy: -46.428 tors. eta vs tors. theta energy: -57.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -638.310706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.310706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.310706 (E_RNA) where: Base-Base interactions energy: -397.389 where: short stacking energy: -179.038 Base-Backbone interact. energy: -1.697 local terms energy: -239.225287 where: bonds (distance) C4'-P energy: -52.979 bonds (distance) P-C4' energy: -63.632 flat angles C4'-P-C4' energy: -51.434 flat angles P-C4'-P energy: -36.378 tors. eta vs tors. theta energy: -34.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -593.303507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.303507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.303507 (E_RNA) where: Base-Base interactions energy: -341.810 where: short stacking energy: -185.130 Base-Backbone interact. energy: -0.814 local terms energy: -250.679585 where: bonds (distance) C4'-P energy: -43.954 bonds (distance) P-C4' energy: -64.811 flat angles C4'-P-C4' energy: -54.173 flat angles P-C4'-P energy: -43.855 tors. eta vs tors. theta energy: -43.888 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: 4 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -480.298588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -480.298588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -480.298588 (E_RNA) where: Base-Base interactions energy: -261.292 where: short stacking energy: -137.190 Base-Backbone interact. energy: -0.421 local terms energy: -218.585578 where: bonds (distance) C4'-P energy: -44.948 bonds (distance) P-C4' energy: -68.739 flat angles C4'-P-C4' energy: -52.699 flat angles P-C4'-P energy: -42.889 tors. eta vs tors. theta energy: -9.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -498.991802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.991802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.991802 (E_RNA) where: Base-Base interactions energy: -296.123 where: short stacking energy: -151.506 Base-Backbone interact. energy: -2.639 local terms energy: -200.230467 where: bonds (distance) C4'-P energy: -37.897 bonds (distance) P-C4' energy: -63.821 flat angles C4'-P-C4' energy: -57.611 flat angles P-C4'-P energy: -37.362 tors. eta vs tors. theta energy: -3.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -364.055559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.055559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.055559 (E_RNA) where: Base-Base interactions energy: -172.135 where: short stacking energy: -114.155 Base-Backbone interact. energy: 0.851 local terms energy: -192.771874 where: bonds (distance) C4'-P energy: -58.194 bonds (distance) P-C4' energy: -50.800 flat angles C4'-P-C4' energy: -52.293 flat angles P-C4'-P energy: -29.540 tors. eta vs tors. theta energy: -1.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -1076.073395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.073395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.073395 (E_RNA) where: Base-Base interactions energy: -746.494 where: short stacking energy: -306.376 Base-Backbone interact. energy: -3.810 local terms energy: -325.769908 where: bonds (distance) C4'-P energy: -64.002 bonds (distance) P-C4' energy: -58.169 flat angles C4'-P-C4' energy: -69.749 flat angles P-C4'-P energy: -49.946 tors. eta vs tors. theta energy: -83.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -1059.770209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.770209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.770209 (E_RNA) where: Base-Base interactions energy: -718.444 where: short stacking energy: -301.844 Base-Backbone interact. energy: -0.873 local terms energy: -340.452964 where: bonds (distance) C4'-P energy: -66.719 bonds (distance) P-C4' energy: -59.082 flat angles C4'-P-C4' energy: -73.602 flat angles P-C4'-P energy: -53.116 tors. eta vs tors. theta energy: -87.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -882.294145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.294145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.294145 (E_RNA) where: Base-Base interactions energy: -567.998 where: short stacking energy: -243.931 Base-Backbone interact. energy: -3.506 local terms energy: -310.789622 where: bonds (distance) C4'-P energy: -64.425 bonds (distance) P-C4' energy: -74.789 flat angles C4'-P-C4' energy: -69.140 flat angles P-C4'-P energy: -37.713 tors. eta vs tors. theta energy: -64.722 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: 4, replica: 6 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -856.424197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.424197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.424197 (E_RNA) where: Base-Base interactions energy: -570.319 where: short stacking energy: -243.041 Base-Backbone interact. energy: -0.735 local terms energy: -285.370094 where: bonds (distance) C4'-P energy: -54.930 bonds (distance) P-C4' energy: -60.656 flat angles C4'-P-C4' energy: -65.568 flat angles P-C4'-P energy: -47.982 tors. eta vs tors. theta energy: -56.233 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: 1 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -874.586808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.586808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.586808 (E_RNA) where: Base-Base interactions energy: -609.706 where: short stacking energy: -230.151 Base-Backbone interact. energy: -0.907 local terms energy: -263.973479 where: bonds (distance) C4'-P energy: -57.793 bonds (distance) P-C4' energy: -51.920 flat angles C4'-P-C4' energy: -71.271 flat angles P-C4'-P energy: -29.923 tors. eta vs tors. theta energy: -53.066 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: 5 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -631.736703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.736703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.736703 (E_RNA) where: Base-Base interactions energy: -377.940 where: short stacking energy: -185.613 Base-Backbone interact. energy: -2.146 local terms energy: -251.650219 where: bonds (distance) C4'-P energy: -49.885 bonds (distance) P-C4' energy: -56.354 flat angles C4'-P-C4' energy: -66.549 flat angles P-C4'-P energy: -31.972 tors. eta vs tors. theta energy: -46.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -596.457499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.457499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.457499 (E_RNA) where: Base-Base interactions energy: -364.830 where: short stacking energy: -170.498 Base-Backbone interact. energy: -0.977 local terms energy: -230.650492 where: bonds (distance) C4'-P energy: -58.726 bonds (distance) P-C4' energy: -57.786 flat angles C4'-P-C4' energy: -49.742 flat angles P-C4'-P energy: -37.568 tors. eta vs tors. theta energy: -26.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -499.541502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.541502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.541502 (E_RNA) where: Base-Base interactions energy: -292.303 where: short stacking energy: -148.264 Base-Backbone interact. energy: -1.363 local terms energy: -205.875899 where: bonds (distance) C4'-P energy: -50.225 bonds (distance) P-C4' energy: -53.622 flat angles C4'-P-C4' energy: -49.314 flat angles P-C4'-P energy: -37.730 tors. eta vs tors. theta energy: -14.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -490.325049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.325049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.325049 (E_RNA) where: Base-Base interactions energy: -281.771 where: short stacking energy: -126.772 Base-Backbone interact. energy: -1.397 local terms energy: -207.156889 where: bonds (distance) C4'-P energy: -55.144 bonds (distance) P-C4' energy: -65.709 flat angles C4'-P-C4' energy: -50.752 flat angles P-C4'-P energy: -23.157 tors. eta vs tors. theta energy: -12.396 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: 10, replica: 7 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -412.882455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.882455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.882455 (E_RNA) where: Base-Base interactions energy: -198.561 where: short stacking energy: -105.905 Base-Backbone interact. energy: 0.045 local terms energy: -214.366255 where: bonds (distance) C4'-P energy: -50.948 bonds (distance) P-C4' energy: -58.860 flat angles C4'-P-C4' energy: -65.733 flat angles P-C4'-P energy: -34.224 tors. eta vs tors. theta energy: -4.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -1075.419039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.419039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.419039 (E_RNA) where: Base-Base interactions energy: -723.716 where: short stacking energy: -322.365 Base-Backbone interact. energy: -4.709 local terms energy: -346.993505 where: bonds (distance) C4'-P energy: -62.281 bonds (distance) P-C4' energy: -76.572 flat angles C4'-P-C4' energy: -74.781 flat angles P-C4'-P energy: -47.153 tors. eta vs tors. theta energy: -86.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -1030.263031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.263031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.263031 (E_RNA) where: Base-Base interactions energy: -709.525 where: short stacking energy: -279.054 Base-Backbone interact. energy: -3.108 local terms energy: -317.630499 where: bonds (distance) C4'-P energy: -61.053 bonds (distance) P-C4' energy: -65.302 flat angles C4'-P-C4' energy: -68.589 flat angles P-C4'-P energy: -44.916 tors. eta vs tors. theta energy: -77.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -879.420162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.420162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.420162 (E_RNA) where: Base-Base interactions energy: -594.409 where: short stacking energy: -246.099 Base-Backbone interact. energy: -3.307 local terms energy: -281.704373 where: bonds (distance) C4'-P energy: -64.159 bonds (distance) P-C4' energy: -54.094 flat angles C4'-P-C4' energy: -61.783 flat angles P-C4'-P energy: -41.701 tors. eta vs tors. theta energy: -59.968 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: 4, replica: 6 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -878.344266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.344266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.344266 (E_RNA) where: Base-Base interactions energy: -579.909 where: short stacking energy: -250.734 Base-Backbone interact. energy: -1.029 local terms energy: -297.406069 where: bonds (distance) C4'-P energy: -62.829 bonds (distance) P-C4' energy: -59.661 flat angles C4'-P-C4' energy: -65.335 flat angles P-C4'-P energy: -44.450 tors. eta vs tors. theta energy: -65.132 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: 1 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -913.670328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.670328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.670328 (E_RNA) where: Base-Base interactions energy: -643.292 where: short stacking energy: -261.455 Base-Backbone interact. energy: 0.662 local terms energy: -271.040552 where: bonds (distance) C4'-P energy: -57.787 bonds (distance) P-C4' energy: -58.929 flat angles C4'-P-C4' energy: -61.318 flat angles P-C4'-P energy: -45.386 tors. eta vs tors. theta energy: -47.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -598.125960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.125960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.125960 (E_RNA) where: Base-Base interactions energy: -368.368 where: short stacking energy: -169.685 Base-Backbone interact. energy: 2.111 local terms energy: -231.869320 where: bonds (distance) C4'-P energy: -57.755 bonds (distance) P-C4' energy: -63.661 flat angles C4'-P-C4' energy: -51.680 flat angles P-C4'-P energy: -30.352 tors. eta vs tors. theta energy: -28.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -624.662762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.662762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.662762 (E_RNA) where: Base-Base interactions energy: -374.118 where: short stacking energy: -201.815 Base-Backbone interact. energy: 1.347 local terms energy: -251.891923 where: bonds (distance) C4'-P energy: -44.895 bonds (distance) P-C4' energy: -65.090 flat angles C4'-P-C4' energy: -66.167 flat angles P-C4'-P energy: -36.608 tors. eta vs tors. theta energy: -39.132 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: 50 Temperature: 1.250000 Total energy: -516.336823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.336823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.336823 (E_RNA) where: Base-Base interactions energy: -299.282 where: short stacking energy: -147.544 Base-Backbone interact. energy: -0.461 local terms energy: -216.594306 where: bonds (distance) C4'-P energy: -58.022 bonds (distance) P-C4' energy: -53.942 flat angles C4'-P-C4' energy: -57.710 flat angles P-C4'-P energy: -30.443 tors. eta vs tors. theta energy: -16.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -485.399724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.399724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.399724 (E_RNA) where: Base-Base interactions energy: -279.982 where: short stacking energy: -122.201 Base-Backbone interact. energy: -1.054 local terms energy: -204.364001 where: bonds (distance) C4'-P energy: -48.544 bonds (distance) P-C4' energy: -46.888 flat angles C4'-P-C4' energy: -51.499 flat angles P-C4'-P energy: -42.506 tors. eta vs tors. theta energy: -14.928 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: 10, replica: 7 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -336.761521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -336.761521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -336.761521 (E_RNA) where: Base-Base interactions energy: -138.852 where: short stacking energy: -86.685 Base-Backbone interact. energy: 0.638 local terms energy: -198.547072 where: bonds (distance) C4'-P energy: -59.396 bonds (distance) P-C4' energy: -65.858 flat angles C4'-P-C4' energy: -48.594 flat angles P-C4'-P energy: -23.453 tors. eta vs tors. theta energy: -1.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -1083.690940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.690940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.690940 (E_RNA) where: Base-Base interactions energy: -734.229 where: short stacking energy: -305.649 Base-Backbone interact. energy: -1.449 local terms energy: -348.012723 where: bonds (distance) C4'-P energy: -64.170 bonds (distance) P-C4' energy: -68.665 flat angles C4'-P-C4' energy: -76.245 flat angles P-C4'-P energy: -54.326 tors. eta vs tors. theta energy: -84.607 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: 51 Temperature: 0.950000 Total energy: -1028.029725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.029725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.029725 (E_RNA) where: Base-Base interactions energy: -715.373 where: short stacking energy: -298.038 Base-Backbone interact. energy: -1.873 local terms energy: -310.783679 where: bonds (distance) C4'-P energy: -57.367 bonds (distance) P-C4' energy: -61.862 flat angles C4'-P-C4' energy: -73.102 flat angles P-C4'-P energy: -37.572 tors. eta vs tors. theta energy: -80.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -893.111364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.111364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.111364 (E_RNA) where: Base-Base interactions energy: -603.332 where: short stacking energy: -223.075 Base-Backbone interact. energy: -1.015 local terms energy: -288.765127 where: bonds (distance) C4'-P energy: -62.245 bonds (distance) P-C4' energy: -67.209 flat angles C4'-P-C4' energy: -63.053 flat angles P-C4'-P energy: -39.398 tors. eta vs tors. theta energy: -56.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -938.618182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.618182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.618182 (E_RNA) where: Base-Base interactions energy: -632.016 where: short stacking energy: -252.653 Base-Backbone interact. energy: -2.410 local terms energy: -304.192185 where: bonds (distance) C4'-P energy: -62.671 bonds (distance) P-C4' energy: -64.297 flat angles C4'-P-C4' energy: -67.386 flat angles P-C4'-P energy: -42.452 tors. eta vs tors. theta energy: -67.386 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: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -788.884219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.884219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.884219 (E_RNA) where: Base-Base interactions energy: -502.682 where: short stacking energy: -212.717 Base-Backbone interact. energy: -1.204 local terms energy: -284.997404 where: bonds (distance) C4'-P energy: -60.050 bonds (distance) P-C4' energy: -57.880 flat angles C4'-P-C4' energy: -62.654 flat angles P-C4'-P energy: -50.945 tors. eta vs tors. theta energy: -53.468 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: 6, replica: 10 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -640.236557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.236557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.236557 (E_RNA) where: Base-Base interactions energy: -370.564 where: short stacking energy: -175.424 Base-Backbone interact. energy: -0.981 local terms energy: -268.691933 where: bonds (distance) C4'-P energy: -61.764 bonds (distance) P-C4' energy: -62.148 flat angles C4'-P-C4' energy: -61.180 flat angles P-C4'-P energy: -46.898 tors. eta vs tors. theta energy: -36.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -571.762698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.762698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.762698 (E_RNA) where: Base-Base interactions energy: -356.010 where: short stacking energy: -173.188 Base-Backbone interact. energy: -0.045 local terms energy: -215.707992 where: bonds (distance) C4'-P energy: -48.258 bonds (distance) P-C4' energy: -64.402 flat angles C4'-P-C4' energy: -52.242 flat angles P-C4'-P energy: -30.063 tors. eta vs tors. theta energy: -20.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -539.603532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.603532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.603532 (E_RNA) where: Base-Base interactions energy: -313.573 where: short stacking energy: -158.972 Base-Backbone interact. energy: 1.105 local terms energy: -227.135481 where: bonds (distance) C4'-P energy: -51.867 bonds (distance) P-C4' energy: -60.507 flat angles C4'-P-C4' energy: -53.449 flat angles P-C4'-P energy: -36.150 tors. eta vs tors. theta energy: -25.162 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: 4 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -490.638230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.638230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.638230 (E_RNA) where: Base-Base interactions energy: -281.934 where: short stacking energy: -127.695 Base-Backbone interact. energy: -1.680 local terms energy: -207.023724 where: bonds (distance) C4'-P energy: -60.737 bonds (distance) P-C4' energy: -55.584 flat angles C4'-P-C4' energy: -62.191 flat angles P-C4'-P energy: -29.534 tors. eta vs tors. theta energy: 1.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -366.478440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -366.478440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -366.478440 (E_RNA) where: Base-Base interactions energy: -201.618 where: short stacking energy: -129.898 Base-Backbone interact. energy: -1.129 local terms energy: -163.731537 where: bonds (distance) C4'-P energy: -46.186 bonds (distance) P-C4' energy: -53.198 flat angles C4'-P-C4' energy: -42.951 flat angles P-C4'-P energy: -28.110 tors. eta vs tors. theta energy: 6.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -1094.341923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.341923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.341923 (E_RNA) where: Base-Base interactions energy: -747.330 where: short stacking energy: -316.314 Base-Backbone interact. energy: -1.746 local terms energy: -345.265665 where: bonds (distance) C4'-P energy: -60.650 bonds (distance) P-C4' energy: -63.371 flat angles C4'-P-C4' energy: -76.865 flat angles P-C4'-P energy: -53.758 tors. eta vs tors. theta energy: -90.622 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: 52 Temperature: 0.950000 Total energy: -1032.318439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.318439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.318439 (E_RNA) where: Base-Base interactions energy: -692.633 where: short stacking energy: -301.207 Base-Backbone interact. energy: 1.077 local terms energy: -340.762584 where: bonds (distance) C4'-P energy: -67.175 bonds (distance) P-C4' energy: -70.319 flat angles C4'-P-C4' energy: -73.713 flat angles P-C4'-P energy: -44.866 tors. eta vs tors. theta energy: -84.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -994.023543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.023543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.023543 (E_RNA) where: Base-Base interactions energy: -687.791 where: short stacking energy: -281.036 Base-Backbone interact. energy: -1.534 local terms energy: -304.698520 where: bonds (distance) C4'-P energy: -52.596 bonds (distance) P-C4' energy: -59.046 flat angles C4'-P-C4' energy: -73.334 flat angles P-C4'-P energy: -46.938 tors. eta vs tors. theta energy: -72.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -838.314064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.314064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.314064 (E_RNA) where: Base-Base interactions energy: -551.646 where: short stacking energy: -234.937 Base-Backbone interact. energy: -1.075 local terms energy: -285.592899 where: bonds (distance) C4'-P energy: -55.339 bonds (distance) P-C4' energy: -64.933 flat angles C4'-P-C4' energy: -64.675 flat angles P-C4'-P energy: -45.627 tors. eta vs tors. theta energy: -55.019 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: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -831.548632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.548632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.548632 (E_RNA) where: Base-Base interactions energy: -547.135 where: short stacking energy: -233.223 Base-Backbone interact. energy: -2.250 local terms energy: -282.164313 where: bonds (distance) C4'-P energy: -61.039 bonds (distance) P-C4' energy: -59.823 flat angles C4'-P-C4' energy: -58.703 flat angles P-C4'-P energy: -43.002 tors. eta vs tors. theta energy: -59.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -605.210141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.210141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.210141 (E_RNA) where: Base-Base interactions energy: -348.560 where: short stacking energy: -172.759 Base-Backbone interact. energy: -0.724 local terms energy: -255.925890 where: bonds (distance) C4'-P energy: -57.805 bonds (distance) P-C4' energy: -64.906 flat angles C4'-P-C4' energy: -55.522 flat angles P-C4'-P energy: -40.669 tors. eta vs tors. theta energy: -37.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -567.689598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.689598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.689598 (E_RNA) where: Base-Base interactions energy: -328.745 where: short stacking energy: -157.561 Base-Backbone interact. energy: 2.658 local terms energy: -241.602596 where: bonds (distance) C4'-P energy: -54.182 bonds (distance) P-C4' energy: -66.492 flat angles C4'-P-C4' energy: -54.846 flat angles P-C4'-P energy: -41.107 tors. eta vs tors. theta energy: -24.976 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: 5 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -537.978189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.978189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.978189 (E_RNA) where: Base-Base interactions energy: -325.439 where: short stacking energy: -161.239 Base-Backbone interact. energy: 7.179 local terms energy: -219.717628 where: bonds (distance) C4'-P energy: -56.747 bonds (distance) P-C4' energy: -55.544 flat angles C4'-P-C4' energy: -55.656 flat angles P-C4'-P energy: -26.176 tors. eta vs tors. theta energy: -25.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -456.714273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.714273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.714273 (E_RNA) where: Base-Base interactions energy: -244.770 where: short stacking energy: -113.182 Base-Backbone interact. energy: 2.362 local terms energy: -214.306540 where: bonds (distance) C4'-P energy: -58.608 bonds (distance) P-C4' energy: -57.111 flat angles C4'-P-C4' energy: -51.941 flat angles P-C4'-P energy: -46.044 tors. eta vs tors. theta energy: -0.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -393.320596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.320596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.320596 (E_RNA) where: Base-Base interactions energy: -206.971 where: short stacking energy: -127.648 Base-Backbone interact. energy: -1.070 local terms energy: -185.280028 where: bonds (distance) C4'-P energy: -48.549 bonds (distance) P-C4' energy: -57.109 flat angles C4'-P-C4' energy: -49.944 flat angles P-C4'-P energy: -17.852 tors. eta vs tors. theta energy: -11.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -1089.058093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.058093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.058093 (E_RNA) where: Base-Base interactions energy: -745.343 where: short stacking energy: -313.158 Base-Backbone interact. energy: 0.202 local terms energy: -343.917295 where: bonds (distance) C4'-P energy: -76.018 bonds (distance) P-C4' energy: -64.469 flat angles C4'-P-C4' energy: -69.262 flat angles P-C4'-P energy: -44.062 tors. eta vs tors. theta energy: -90.107 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: 1 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -1024.525064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.525064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.525064 (E_RNA) where: Base-Base interactions energy: -698.487 where: short stacking energy: -283.033 Base-Backbone interact. energy: -4.223 local terms energy: -321.814925 where: bonds (distance) C4'-P energy: -59.531 bonds (distance) P-C4' energy: -72.242 flat angles C4'-P-C4' energy: -69.845 flat angles P-C4'-P energy: -48.181 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: 3, replica: 8 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -1000.101770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.101770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.101770 (E_RNA) where: Base-Base interactions energy: -669.300 where: short stacking energy: -280.293 Base-Backbone interact. energy: -2.755 local terms energy: -328.046405 where: bonds (distance) C4'-P energy: -67.775 bonds (distance) P-C4' energy: -60.643 flat angles C4'-P-C4' energy: -74.312 flat angles P-C4'-P energy: -46.636 tors. eta vs tors. theta energy: -78.681 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: 6 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -857.535362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.535362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.535362 (E_RNA) where: Base-Base interactions energy: -554.640 where: short stacking energy: -213.777 Base-Backbone interact. energy: -0.521 local terms energy: -302.373741 where: bonds (distance) C4'-P energy: -64.334 bonds (distance) P-C4' energy: -63.554 flat angles C4'-P-C4' energy: -63.012 flat angles P-C4'-P energy: -48.199 tors. eta vs tors. theta energy: -63.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 53 Temperature: 1.100000 Total energy: -794.842657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.842657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.842657 (E_RNA) where: Base-Base interactions energy: -521.235 where: short stacking energy: -214.525 Base-Backbone interact. energy: -1.570 local terms energy: -272.037888 where: bonds (distance) C4'-P energy: -62.798 bonds (distance) P-C4' energy: -66.192 flat angles C4'-P-C4' energy: -52.281 flat angles P-C4'-P energy: -42.198 tors. eta vs tors. theta energy: -48.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -581.982251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.982251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.982251 (E_RNA) where: Base-Base interactions energy: -328.496 where: short stacking energy: -178.377 Base-Backbone interact. energy: -2.677 local terms energy: -250.809165 where: bonds (distance) C4'-P energy: -62.098 bonds (distance) P-C4' energy: -64.301 flat angles C4'-P-C4' energy: -48.919 flat angles P-C4'-P energy: -43.869 tors. eta vs tors. theta energy: -31.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -639.262021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.262021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.262021 (E_RNA) where: Base-Base interactions energy: -383.699 where: short stacking energy: -185.904 Base-Backbone interact. energy: 1.718 local terms energy: -257.280711 where: bonds (distance) C4'-P energy: -65.788 bonds (distance) P-C4' energy: -54.324 flat angles C4'-P-C4' energy: -60.622 flat angles P-C4'-P energy: -31.128 tors. eta vs tors. theta energy: -45.419 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: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -551.320249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.320249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.320249 (E_RNA) where: Base-Base interactions energy: -332.493 where: short stacking energy: -155.615 Base-Backbone interact. energy: -1.679 local terms energy: -217.149135 where: bonds (distance) C4'-P energy: -59.835 bonds (distance) P-C4' energy: -52.018 flat angles C4'-P-C4' energy: -48.071 flat angles P-C4'-P energy: -34.217 tors. eta vs tors. theta energy: -23.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -512.039002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.039002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.039002 (E_RNA) where: Base-Base interactions energy: -300.152 where: short stacking energy: -129.629 Base-Backbone interact. energy: 1.602 local terms energy: -213.489466 where: bonds (distance) C4'-P energy: -61.376 bonds (distance) P-C4' energy: -51.060 flat angles C4'-P-C4' energy: -47.825 flat angles P-C4'-P energy: -27.798 tors. eta vs tors. theta energy: -25.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -377.431094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.431094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.431094 (E_RNA) where: Base-Base interactions energy: -194.800 where: short stacking energy: -94.411 Base-Backbone interact. energy: -3.099 local terms energy: -179.532360 where: bonds (distance) C4'-P energy: -55.973 bonds (distance) P-C4' energy: -56.596 flat angles C4'-P-C4' energy: -45.275 flat angles P-C4'-P energy: -29.171 tors. eta vs tors. theta energy: 7.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -1084.522135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.522135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.522135 (E_RNA) where: Base-Base interactions energy: -760.935 where: short stacking energy: -332.720 Base-Backbone interact. energy: -4.194 local terms energy: -319.392870 where: bonds (distance) C4'-P energy: -62.175 bonds (distance) P-C4' energy: -59.770 flat angles C4'-P-C4' energy: -68.070 flat angles P-C4'-P energy: -44.654 tors. eta vs tors. theta energy: -84.725 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: 1 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -1028.410548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.410548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.410548 (E_RNA) where: Base-Base interactions energy: -710.956 where: short stacking energy: -283.628 Base-Backbone interact. energy: -2.546 local terms energy: -314.908834 where: bonds (distance) C4'-P energy: -63.170 bonds (distance) P-C4' energy: -70.954 flat angles C4'-P-C4' energy: -74.433 flat angles P-C4'-P energy: -41.697 tors. eta vs tors. theta energy: -64.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -984.149063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.149063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.149063 (E_RNA) where: Base-Base interactions energy: -660.381 where: short stacking energy: -271.977 Base-Backbone interact. energy: -3.103 local terms energy: -320.665461 where: bonds (distance) C4'-P energy: -68.701 bonds (distance) P-C4' energy: -55.892 flat angles C4'-P-C4' energy: -70.348 flat angles P-C4'-P energy: -49.064 tors. eta vs tors. theta energy: -76.660 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: 6 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -856.226708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.226708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.226708 (E_RNA) where: Base-Base interactions energy: -558.749 where: short stacking energy: -250.928 Base-Backbone interact. energy: -0.608 local terms energy: -296.868927 where: bonds (distance) C4'-P energy: -60.909 bonds (distance) P-C4' energy: -66.065 flat angles C4'-P-C4' energy: -63.106 flat angles P-C4'-P energy: -46.697 tors. eta vs tors. theta energy: -60.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -815.947401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.947401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.947401 (E_RNA) where: Base-Base interactions energy: -525.844 where: short stacking energy: -221.886 Base-Backbone interact. energy: -0.879 local terms energy: -289.224864 where: bonds (distance) C4'-P energy: -59.891 bonds (distance) P-C4' energy: -65.080 flat angles C4'-P-C4' energy: -68.783 flat angles P-C4'-P energy: -38.636 tors. eta vs tors. theta energy: -56.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -623.460530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.460530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.460530 (E_RNA) where: Base-Base interactions energy: -365.556 where: short stacking energy: -203.256 Base-Backbone interact. energy: 3.414 local terms energy: -261.318588 where: bonds (distance) C4'-P energy: -57.796 bonds (distance) P-C4' energy: -58.050 flat angles C4'-P-C4' energy: -64.462 flat angles P-C4'-P energy: -40.047 tors. eta vs tors. theta energy: -40.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -658.090469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.090469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.090469 (E_RNA) where: Base-Base interactions energy: -420.253 where: short stacking energy: -200.403 Base-Backbone interact. energy: 0.207 local terms energy: -238.045158 where: bonds (distance) C4'-P energy: -51.919 bonds (distance) P-C4' energy: -63.631 flat angles C4'-P-C4' energy: -54.273 flat angles P-C4'-P energy: -29.432 tors. eta vs tors. theta energy: -38.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -539.304707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.304707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.304707 (E_RNA) where: Base-Base interactions energy: -316.626 where: short stacking energy: -145.779 Base-Backbone interact. energy: -3.232 local terms energy: -219.446142 where: bonds (distance) C4'-P energy: -50.346 bonds (distance) P-C4' energy: -60.637 flat angles C4'-P-C4' energy: -62.075 flat angles P-C4'-P energy: -30.966 tors. eta vs tors. theta energy: -15.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -490.720908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.720908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.720908 (E_RNA) where: Base-Base interactions energy: -288.064 where: short stacking energy: -130.365 Base-Backbone interact. energy: 0.859 local terms energy: -203.515785 where: bonds (distance) C4'-P energy: -58.130 bonds (distance) P-C4' energy: -61.332 flat angles C4'-P-C4' energy: -53.318 flat angles P-C4'-P energy: -20.749 tors. eta vs tors. theta energy: -9.987 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: 7 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -441.479868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.479868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.479868 (E_RNA) where: Base-Base interactions energy: -236.896 where: short stacking energy: -118.094 Base-Backbone interact. energy: -0.827 local terms energy: -203.757207 where: bonds (distance) C4'-P energy: -48.191 bonds (distance) P-C4' energy: -57.936 flat angles C4'-P-C4' energy: -52.536 flat angles P-C4'-P energy: -31.056 tors. eta vs tors. theta energy: -14.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -1089.714342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.714342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.714342 (E_RNA) where: Base-Base interactions energy: -764.248 where: short stacking energy: -314.058 Base-Backbone interact. energy: -1.788 local terms energy: -323.677823 where: bonds (distance) C4'-P energy: -64.379 bonds (distance) P-C4' energy: -65.676 flat angles C4'-P-C4' energy: -65.427 flat angles P-C4'-P energy: -42.479 tors. eta vs tors. theta energy: -85.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -1016.337047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.337047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.337047 (E_RNA) where: Base-Base interactions energy: -702.107 where: short stacking energy: -263.384 Base-Backbone interact. energy: -3.503 local terms energy: -310.726719 where: bonds (distance) C4'-P energy: -64.402 bonds (distance) P-C4' energy: -62.962 flat angles C4'-P-C4' energy: -66.626 flat angles P-C4'-P energy: -49.326 tors. eta vs tors. theta energy: -67.412 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: 55 Temperature: 1.000000 Total energy: -986.356462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.356462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.356462 (E_RNA) where: Base-Base interactions energy: -669.863 where: short stacking energy: -303.387 Base-Backbone interact. energy: -3.709 local terms energy: -312.785285 where: bonds (distance) C4'-P energy: -49.864 bonds (distance) P-C4' energy: -55.908 flat angles C4'-P-C4' energy: -72.425 flat angles P-C4'-P energy: -45.554 tors. eta vs tors. theta energy: -89.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -851.417350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.417350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.417350 (E_RNA) where: Base-Base interactions energy: -568.463 where: short stacking energy: -235.264 Base-Backbone interact. energy: -0.977 local terms energy: -281.977262 where: bonds (distance) C4'-P energy: -60.346 bonds (distance) P-C4' energy: -53.886 flat angles C4'-P-C4' energy: -66.423 flat angles P-C4'-P energy: -43.075 tors. eta vs tors. theta energy: -58.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -821.892536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.892536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.892536 (E_RNA) where: Base-Base interactions energy: -529.334 where: short stacking energy: -212.852 Base-Backbone interact. energy: -1.396 local terms energy: -291.162374 where: bonds (distance) C4'-P energy: -62.455 bonds (distance) P-C4' energy: -70.281 flat angles C4'-P-C4' energy: -61.780 flat angles P-C4'-P energy: -40.037 tors. eta vs tors. theta energy: -56.608 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: 10 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -644.905627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.905627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.905627 (E_RNA) where: Base-Base interactions energy: -404.435 where: short stacking energy: -204.014 Base-Backbone interact. energy: -0.168 local terms energy: -240.302625 where: bonds (distance) C4'-P energy: -48.080 bonds (distance) P-C4' energy: -61.874 flat angles C4'-P-C4' energy: -56.376 flat angles P-C4'-P energy: -30.290 tors. eta vs tors. theta energy: -43.682 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: 7, replica: 9 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -582.544521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.544521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.544521 (E_RNA) where: Base-Base interactions energy: -342.506 where: short stacking energy: -176.961 Base-Backbone interact. energy: -2.524 local terms energy: -237.515352 where: bonds (distance) C4'-P energy: -49.529 bonds (distance) P-C4' energy: -51.464 flat angles C4'-P-C4' energy: -62.648 flat angles P-C4'-P energy: -35.253 tors. eta vs tors. theta energy: -38.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -513.980634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.980634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.980634 (E_RNA) where: Base-Base interactions energy: -294.570 where: short stacking energy: -141.486 Base-Backbone interact. energy: -0.467 local terms energy: -218.943060 where: bonds (distance) C4'-P energy: -45.414 bonds (distance) P-C4' energy: -54.318 flat angles C4'-P-C4' energy: -68.396 flat angles P-C4'-P energy: -36.409 tors. eta vs tors. theta energy: -14.407 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: 5 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -524.031230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.031230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.031230 (E_RNA) where: Base-Base interactions energy: -324.972 where: short stacking energy: -129.446 Base-Backbone interact. energy: 1.115 local terms energy: -200.174622 where: bonds (distance) C4'-P energy: -54.763 bonds (distance) P-C4' energy: -49.693 flat angles C4'-P-C4' energy: -51.711 flat angles P-C4'-P energy: -36.763 tors. eta vs tors. theta energy: -7.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -464.898015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.898015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.898015 (E_RNA) where: Base-Base interactions energy: -266.915 where: short stacking energy: -133.119 Base-Backbone interact. energy: 4.176 local terms energy: -202.158661 where: bonds (distance) C4'-P energy: -57.947 bonds (distance) P-C4' energy: -65.000 flat angles C4'-P-C4' energy: -42.452 flat angles P-C4'-P energy: -32.565 tors. eta vs tors. theta energy: -4.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -1071.118659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.118659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.118659 (E_RNA) where: Base-Base interactions energy: -733.265 where: short stacking energy: -281.548 Base-Backbone interact. energy: 1.792 local terms energy: -339.645011 where: bonds (distance) C4'-P energy: -65.687 bonds (distance) P-C4' energy: -72.124 flat angles C4'-P-C4' energy: -73.735 flat angles P-C4'-P energy: -49.616 tors. eta vs tors. theta energy: -78.484 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: 3 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -1048.534401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.534401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.534401 (E_RNA) where: Base-Base interactions energy: -733.889 where: short stacking energy: -301.243 Base-Backbone interact. energy: 0.906 local terms energy: -315.550844 where: bonds (distance) C4'-P energy: -64.262 bonds (distance) P-C4' energy: -59.726 flat angles C4'-P-C4' energy: -67.349 flat angles P-C4'-P energy: -45.831 tors. eta vs tors. theta energy: -78.384 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: 56 Temperature: 1.000000 Total energy: -991.834438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.834438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.834438 (E_RNA) where: Base-Base interactions energy: -663.942 where: short stacking energy: -300.960 Base-Backbone interact. energy: 4.914 local terms energy: -332.807204 where: bonds (distance) C4'-P energy: -63.776 bonds (distance) P-C4' energy: -65.166 flat angles C4'-P-C4' energy: -68.928 flat angles P-C4'-P energy: -50.792 tors. eta vs tors. theta energy: -84.144 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: 4, replica: 6 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -841.534559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.534559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.534559 (E_RNA) where: Base-Base interactions energy: -555.408 where: short stacking energy: -265.652 Base-Backbone interact. energy: 0.167 local terms energy: -286.293900 where: bonds (distance) C4'-P energy: -66.493 bonds (distance) P-C4' energy: -57.585 flat angles C4'-P-C4' energy: -55.290 flat angles P-C4'-P energy: -45.899 tors. eta vs tors. theta energy: -61.028 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: 2 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -847.223692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.223692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.223692 (E_RNA) where: Base-Base interactions energy: -573.659 where: short stacking energy: -230.528 Base-Backbone interact. energy: -0.769 local terms energy: -272.796083 where: bonds (distance) C4'-P energy: -51.256 bonds (distance) P-C4' energy: -60.730 flat angles C4'-P-C4' energy: -61.195 flat angles P-C4'-P energy: -42.245 tors. eta vs tors. theta energy: -57.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -661.035757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.035757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.035757 (E_RNA) where: Base-Base interactions energy: -433.771 where: short stacking energy: -185.758 Base-Backbone interact. energy: -0.945 local terms energy: -226.319916 where: bonds (distance) C4'-P energy: -44.100 bonds (distance) P-C4' energy: -49.474 flat angles C4'-P-C4' energy: -58.421 flat angles P-C4'-P energy: -43.640 tors. eta vs tors. theta energy: -30.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -588.184704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.184704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.184704 (E_RNA) where: Base-Base interactions energy: -334.940 where: short stacking energy: -176.498 Base-Backbone interact. energy: 1.361 local terms energy: -254.606058 where: bonds (distance) C4'-P energy: -65.307 bonds (distance) P-C4' energy: -62.755 flat angles C4'-P-C4' energy: -52.785 flat angles P-C4'-P energy: -34.604 tors. eta vs tors. theta energy: -39.155 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: 4 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -501.841816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -501.841816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -501.841816 (E_RNA) where: Base-Base interactions energy: -298.967 where: short stacking energy: -135.189 Base-Backbone interact. energy: 0.732 local terms energy: -203.607287 where: bonds (distance) C4'-P energy: -53.389 bonds (distance) P-C4' energy: -58.810 flat angles C4'-P-C4' energy: -51.747 flat angles P-C4'-P energy: -26.583 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: 9, replica: 5 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -504.933250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.933250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.933250 (E_RNA) where: Base-Base interactions energy: -281.366 where: short stacking energy: -136.623 Base-Backbone interact. energy: -1.911 local terms energy: -221.655811 where: bonds (distance) C4'-P energy: -55.675 bonds (distance) P-C4' energy: -60.649 flat angles C4'-P-C4' energy: -59.837 flat angles P-C4'-P energy: -31.394 tors. eta vs tors. theta energy: -14.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -528.905431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.905431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.905431 (E_RNA) where: Base-Base interactions energy: -313.917 where: short stacking energy: -158.042 Base-Backbone interact. energy: -2.391 local terms energy: -212.597671 where: bonds (distance) C4'-P energy: -60.480 bonds (distance) P-C4' energy: -57.906 flat angles C4'-P-C4' energy: -41.806 flat angles P-C4'-P energy: -34.042 tors. eta vs tors. theta energy: -18.364 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: 1 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -1065.378291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.378291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.378291 (E_RNA) where: Base-Base interactions energy: -729.049 where: short stacking energy: -280.838 Base-Backbone interact. energy: -1.788 local terms energy: -334.541387 where: bonds (distance) C4'-P energy: -74.349 bonds (distance) P-C4' energy: -61.815 flat angles C4'-P-C4' energy: -67.377 flat angles P-C4'-P energy: -54.220 tors. eta vs tors. theta energy: -76.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -1058.673266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.673266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.673266 (E_RNA) where: Base-Base interactions energy: -729.156 where: short stacking energy: -293.750 Base-Backbone interact. energy: -2.297 local terms energy: -327.220106 where: bonds (distance) C4'-P energy: -58.322 bonds (distance) P-C4' energy: -64.303 flat angles C4'-P-C4' energy: -69.241 flat angles P-C4'-P energy: -52.184 tors. eta vs tors. theta energy: -83.170 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: 8 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -986.688730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.688730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.688730 (E_RNA) where: Base-Base interactions energy: -661.160 where: short stacking energy: -292.537 Base-Backbone interact. energy: -0.625 local terms energy: -324.903134 where: bonds (distance) C4'-P energy: -60.148 bonds (distance) P-C4' energy: -62.743 flat angles C4'-P-C4' energy: -63.934 flat angles P-C4'-P energy: -48.162 tors. eta vs tors. theta energy: -89.916 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: 4, replica: 2 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -888.355028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.355028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.355028 (E_RNA) where: Base-Base interactions energy: -605.374 where: short stacking energy: -252.315 Base-Backbone interact. energy: -0.766 local terms energy: -282.214869 where: bonds (distance) C4'-P energy: -54.072 bonds (distance) P-C4' energy: -55.811 flat angles C4'-P-C4' energy: -60.090 flat angles P-C4'-P energy: -41.145 tors. eta vs tors. theta energy: -71.097 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: 6 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -818.564891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.564891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.564891 (E_RNA) where: Base-Base interactions energy: -538.273 where: short stacking energy: -226.530 Base-Backbone interact. energy: -1.122 local terms energy: -279.170166 where: bonds (distance) C4'-P energy: -52.566 bonds (distance) P-C4' energy: -58.357 flat angles C4'-P-C4' energy: -69.386 flat angles P-C4'-P energy: -44.185 tors. eta vs tors. theta energy: -54.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -666.971917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.971917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.971917 (E_RNA) where: Base-Base interactions energy: -426.055 where: short stacking energy: -204.180 Base-Backbone interact. energy: -0.970 local terms energy: -239.946701 where: bonds (distance) C4'-P energy: -38.614 bonds (distance) P-C4' energy: -47.874 flat angles C4'-P-C4' energy: -66.317 flat angles P-C4'-P energy: -40.132 tors. eta vs tors. theta energy: -47.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -572.503843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.503843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.503843 (E_RNA) where: Base-Base interactions energy: -334.020 where: short stacking energy: -167.001 Base-Backbone interact. energy: -3.737 local terms energy: -234.747309 where: bonds (distance) C4'-P energy: -54.662 bonds (distance) P-C4' energy: -62.436 flat angles C4'-P-C4' energy: -56.577 flat angles P-C4'-P energy: -32.572 tors. eta vs tors. theta energy: -28.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -552.703581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.703581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.703581 (E_RNA) where: Base-Base interactions energy: -329.927 where: short stacking energy: -153.777 Base-Backbone interact. energy: -0.207 local terms energy: -222.569153 where: bonds (distance) C4'-P energy: -63.478 bonds (distance) P-C4' energy: -56.021 flat angles C4'-P-C4' energy: -44.082 flat angles P-C4'-P energy: -33.183 tors. eta vs tors. theta energy: -25.805 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: 4 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -490.335683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.335683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.335683 (E_RNA) where: Base-Base interactions energy: -277.799 where: short stacking energy: -132.014 Base-Backbone interact. energy: -1.606 local terms energy: -210.930672 where: bonds (distance) C4'-P energy: -50.748 bonds (distance) P-C4' energy: -52.544 flat angles C4'-P-C4' energy: -53.343 flat angles P-C4'-P energy: -32.873 tors. eta vs tors. theta energy: -21.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -506.195143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.195143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.195143 (E_RNA) where: Base-Base interactions energy: -300.944 where: short stacking energy: -144.648 Base-Backbone interact. energy: -1.060 local terms energy: -204.191376 where: bonds (distance) C4'-P energy: -58.976 bonds (distance) P-C4' energy: -53.021 flat angles C4'-P-C4' energy: -48.176 flat angles P-C4'-P energy: -36.513 tors. eta vs tors. theta energy: -7.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -1083.987138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.987138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.987138 (E_RNA) where: Base-Base interactions energy: -738.303 where: short stacking energy: -308.847 Base-Backbone interact. energy: -0.333 local terms energy: -345.351484 where: bonds (distance) C4'-P energy: -78.544 bonds (distance) P-C4' energy: -62.856 flat angles C4'-P-C4' energy: -68.854 flat angles P-C4'-P energy: -54.738 tors. eta vs tors. theta energy: -80.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 58 Temperature: 0.950000 Total energy: -1050.090666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.090666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.090666 (E_RNA) where: Base-Base interactions energy: -724.107 where: short stacking energy: -306.168 Base-Backbone interact. energy: -2.192 local terms energy: -323.790812 where: bonds (distance) C4'-P energy: -58.447 bonds (distance) P-C4' energy: -70.909 flat angles C4'-P-C4' energy: -72.036 flat angles P-C4'-P energy: -40.878 tors. eta vs tors. theta energy: -81.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -1010.997578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.997578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.997578 (E_RNA) where: Base-Base interactions energy: -688.153 where: short stacking energy: -299.043 Base-Backbone interact. energy: -0.099 local terms energy: -322.745625 where: bonds (distance) C4'-P energy: -59.927 bonds (distance) P-C4' energy: -69.620 flat angles C4'-P-C4' energy: -69.693 flat angles P-C4'-P energy: -47.699 tors. eta vs tors. theta energy: -75.805 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: 2 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -898.398158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.398158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.398158 (E_RNA) where: Base-Base interactions energy: -586.660 where: short stacking energy: -245.106 Base-Backbone interact. energy: -4.585 local terms energy: -307.153451 where: bonds (distance) C4'-P energy: -62.027 bonds (distance) P-C4' energy: -64.797 flat angles C4'-P-C4' energy: -61.997 flat angles P-C4'-P energy: -48.428 tors. eta vs tors. theta energy: -69.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -780.024452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.024452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.024452 (E_RNA) where: Base-Base interactions energy: -515.853 where: short stacking energy: -228.377 Base-Backbone interact. energy: -1.109 local terms energy: -263.062259 where: bonds (distance) C4'-P energy: -59.036 bonds (distance) P-C4' energy: -71.441 flat angles C4'-P-C4' energy: -43.726 flat angles P-C4'-P energy: -37.164 tors. eta vs tors. theta energy: -51.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -707.056046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.056046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.056046 (E_RNA) where: Base-Base interactions energy: -431.192 where: short stacking energy: -212.271 Base-Backbone interact. energy: -0.974 local terms energy: -274.889808 where: bonds (distance) C4'-P energy: -66.106 bonds (distance) P-C4' energy: -61.256 flat angles C4'-P-C4' energy: -63.354 flat angles P-C4'-P energy: -40.113 tors. eta vs tors. theta energy: -44.061 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: 5 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -646.274256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.274256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.274256 (E_RNA) where: Base-Base interactions energy: -399.596 where: short stacking energy: -181.056 Base-Backbone interact. energy: -0.408 local terms energy: -246.269905 where: bonds (distance) C4'-P energy: -64.301 bonds (distance) P-C4' energy: -63.723 flat angles C4'-P-C4' energy: -49.998 flat angles P-C4'-P energy: -43.131 tors. eta vs tors. theta energy: -25.116 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: 8, replica: 9 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -562.864755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.864755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.864755 (E_RNA) where: Base-Base interactions energy: -347.510 where: short stacking energy: -166.130 Base-Backbone interact. energy: 0.288 local terms energy: -215.642976 where: bonds (distance) C4'-P energy: -50.671 bonds (distance) P-C4' energy: -52.960 flat angles C4'-P-C4' energy: -56.266 flat angles P-C4'-P energy: -33.505 tors. eta vs tors. theta energy: -22.240 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: 7 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -528.194034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.194034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.194034 (E_RNA) where: Base-Base interactions energy: -322.980 where: short stacking energy: -164.493 Base-Backbone interact. energy: 1.135 local terms energy: -206.348198 where: bonds (distance) C4'-P energy: -60.385 bonds (distance) P-C4' energy: -46.061 flat angles C4'-P-C4' energy: -48.218 flat angles P-C4'-P energy: -25.584 tors. eta vs tors. theta energy: -26.100 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: 4 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -486.361702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -486.361702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -486.361702 (E_RNA) where: Base-Base interactions energy: -284.060 where: short stacking energy: -136.003 Base-Backbone interact. energy: -0.718 local terms energy: -201.583776 where: bonds (distance) C4'-P energy: -44.490 bonds (distance) P-C4' energy: -59.078 flat angles C4'-P-C4' energy: -57.452 flat angles P-C4'-P energy: -22.577 tors. eta vs tors. theta energy: -17.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -1092.390966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.390966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.390966 (E_RNA) where: Base-Base interactions energy: -749.190 where: short stacking energy: -323.129 Base-Backbone interact. energy: -5.264 local terms energy: -337.936810 where: bonds (distance) C4'-P energy: -61.111 bonds (distance) P-C4' energy: -69.038 flat angles C4'-P-C4' energy: -72.294 flat angles P-C4'-P energy: -50.046 tors. eta vs tors. theta energy: -85.448 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: 8 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -1065.359071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.359071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.359071 (E_RNA) where: Base-Base interactions energy: -725.009 where: short stacking energy: -319.981 Base-Backbone interact. energy: -1.617 local terms energy: -338.733915 where: bonds (distance) C4'-P energy: -59.783 bonds (distance) P-C4' energy: -59.959 flat angles C4'-P-C4' energy: -76.055 flat angles P-C4'-P energy: -48.537 tors. eta vs tors. theta energy: -94.400 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: 3 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -988.774013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.774013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.774013 (E_RNA) where: Base-Base interactions energy: -679.788 where: short stacking energy: -275.810 Base-Backbone interact. energy: -0.457 local terms energy: -308.529250 where: bonds (distance) C4'-P energy: -59.405 bonds (distance) P-C4' energy: -59.071 flat angles C4'-P-C4' energy: -70.794 flat angles P-C4'-P energy: -39.541 tors. eta vs tors. theta energy: -79.719 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: 2 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -901.750291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.750291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.750291 (E_RNA) where: Base-Base interactions energy: -579.570 where: short stacking energy: -242.719 Base-Backbone interact. energy: -4.373 local terms energy: -317.807754 where: bonds (distance) C4'-P energy: -72.477 bonds (distance) P-C4' energy: -59.306 flat angles C4'-P-C4' energy: -69.509 flat angles P-C4'-P energy: -57.208 tors. eta vs tors. theta energy: -59.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -770.066243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.066243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.066243 (E_RNA) where: Base-Base interactions energy: -486.917 where: short stacking energy: -221.192 Base-Backbone interact. energy: -1.787 local terms energy: -281.362777 where: bonds (distance) C4'-P energy: -56.409 bonds (distance) P-C4' energy: -61.405 flat angles C4'-P-C4' energy: -68.699 flat angles P-C4'-P energy: -45.329 tors. eta vs tors. theta energy: -49.521 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: 10 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -681.557473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.557473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.557473 (E_RNA) where: Base-Base interactions energy: -419.543 where: short stacking energy: -191.022 Base-Backbone interact. energy: -3.433 local terms energy: -258.581215 where: bonds (distance) C4'-P energy: -60.235 bonds (distance) P-C4' energy: -54.962 flat angles C4'-P-C4' energy: -61.055 flat angles P-C4'-P energy: -37.873 tors. eta vs tors. theta energy: -44.456 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: 5 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -641.863430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.863430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.863430 (E_RNA) where: Base-Base interactions energy: -397.916 where: short stacking energy: -170.252 Base-Backbone interact. energy: -2.327 local terms energy: -241.620602 where: bonds (distance) C4'-P energy: -51.381 bonds (distance) P-C4' energy: -61.516 flat angles C4'-P-C4' energy: -53.214 flat angles P-C4'-P energy: -43.391 tors. eta vs tors. theta energy: -32.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -538.000834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.000834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.000834 (E_RNA) where: Base-Base interactions energy: -301.911 where: short stacking energy: -132.444 Base-Backbone interact. energy: 1.305 local terms energy: -237.394503 where: bonds (distance) C4'-P energy: -52.481 bonds (distance) P-C4' energy: -65.053 flat angles C4'-P-C4' energy: -67.824 flat angles P-C4'-P energy: -43.470 tors. eta vs tors. theta energy: -8.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -514.173589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.173589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.173589 (E_RNA) where: Base-Base interactions energy: -294.315 where: short stacking energy: -130.271 Base-Backbone interact. energy: -1.814 local terms energy: -218.045156 where: bonds (distance) C4'-P energy: -48.878 bonds (distance) P-C4' energy: -64.084 flat angles C4'-P-C4' energy: -51.082 flat angles P-C4'-P energy: -31.124 tors. eta vs tors. theta energy: -22.877 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: 10, replica: 4 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -469.964831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.964831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.964831 (E_RNA) where: Base-Base interactions energy: -269.727 where: short stacking energy: -131.468 Base-Backbone interact. energy: -1.378 local terms energy: -198.859839 where: bonds (distance) C4'-P energy: -58.252 bonds (distance) P-C4' energy: -48.279 flat angles C4'-P-C4' energy: -59.077 flat angles P-C4'-P energy: -22.026 tors. eta vs tors. theta energy: -11.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -1100.549567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.549567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.549567 (E_RNA) where: Base-Base interactions energy: -756.593 where: short stacking energy: -319.600 Base-Backbone interact. energy: -2.075 local terms energy: -341.881720 where: bonds (distance) C4'-P energy: -56.959 bonds (distance) P-C4' energy: -61.749 flat angles C4'-P-C4' energy: -74.102 flat angles P-C4'-P energy: -56.495 tors. eta vs tors. theta energy: -92.576 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: 1 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -1061.383252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.383252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.383252 (E_RNA) where: Base-Base interactions energy: -724.955 where: short stacking energy: -285.726 Base-Backbone interact. energy: -4.395 local terms energy: -332.032426 where: bonds (distance) C4'-P energy: -67.145 bonds (distance) P-C4' energy: -63.418 flat angles C4'-P-C4' energy: -72.648 flat angles P-C4'-P energy: -47.287 tors. eta vs tors. theta energy: -81.534 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: 3, replica: 3 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -1009.767573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.767573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.767573 (E_RNA) where: Base-Base interactions energy: -704.195 where: short stacking energy: -277.746 Base-Backbone interact. energy: -1.219 local terms energy: -304.354192 where: bonds (distance) C4'-P energy: -50.050 bonds (distance) P-C4' energy: -68.283 flat angles C4'-P-C4' energy: -62.098 flat angles P-C4'-P energy: -46.878 tors. eta vs tors. theta energy: -77.045 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: 2 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -893.668061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -893.668061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -893.668061 (E_RNA) where: Base-Base interactions energy: -593.634 where: short stacking energy: -255.254 Base-Backbone interact. energy: 3.310 local terms energy: -303.344094 where: bonds (distance) C4'-P energy: -61.372 bonds (distance) P-C4' energy: -66.570 flat angles C4'-P-C4' energy: -72.718 flat angles P-C4'-P energy: -32.804 tors. eta vs tors. theta energy: -69.879 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: 6 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -765.934559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.934559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.934559 (E_RNA) where: Base-Base interactions energy: -487.311 where: short stacking energy: -220.190 Base-Backbone interact. energy: 1.419 local terms energy: -280.042754 where: bonds (distance) C4'-P energy: -59.231 bonds (distance) P-C4' energy: -57.346 flat angles C4'-P-C4' energy: -65.362 flat angles P-C4'-P energy: -51.218 tors. eta vs tors. theta energy: -46.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -644.203288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.203288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.203288 (E_RNA) where: Base-Base interactions energy: -383.665 where: short stacking energy: -161.791 Base-Backbone interact. energy: -2.919 local terms energy: -257.619967 where: bonds (distance) C4'-P energy: -57.874 bonds (distance) P-C4' energy: -64.528 flat angles C4'-P-C4' energy: -61.167 flat angles P-C4'-P energy: -50.910 tors. eta vs tors. theta energy: -23.141 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: 7, replica: 5 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -662.226431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.226431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.226431 (E_RNA) where: Base-Base interactions energy: -425.862 where: short stacking energy: -172.544 Base-Backbone interact. energy: -1.054 local terms energy: -235.310431 where: bonds (distance) C4'-P energy: -58.487 bonds (distance) P-C4' energy: -62.371 flat angles C4'-P-C4' energy: -62.829 flat angles P-C4'-P energy: -29.762 tors. eta vs tors. theta energy: -21.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -552.754210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.754210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.754210 (E_RNA) where: Base-Base interactions energy: -322.683 where: short stacking energy: -161.180 Base-Backbone interact. energy: -0.919 local terms energy: -229.151739 where: bonds (distance) C4'-P energy: -51.497 bonds (distance) P-C4' energy: -60.208 flat angles C4'-P-C4' energy: -44.298 flat angles P-C4'-P energy: -36.599 tors. eta vs tors. theta energy: -36.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -549.759449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.759449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.759449 (E_RNA) where: Base-Base interactions energy: -327.572 where: short stacking energy: -185.622 Base-Backbone interact. energy: -0.463 local terms energy: -221.723537 where: bonds (distance) C4'-P energy: -52.942 bonds (distance) P-C4' energy: -52.298 flat angles C4'-P-C4' energy: -46.233 flat angles P-C4'-P energy: -43.558 tors. eta vs tors. theta energy: -26.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -418.817530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.817530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.817530 (E_RNA) where: Base-Base interactions energy: -249.427 where: short stacking energy: -119.197 Base-Backbone interact. energy: 1.848 local terms energy: -171.239374 where: bonds (distance) C4'-P energy: -54.878 bonds (distance) P-C4' energy: -54.543 flat angles C4'-P-C4' energy: -43.575 flat angles P-C4'-P energy: -13.529 tors. eta vs tors. theta energy: -4.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -1095.025314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.025314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.025314 (E_RNA) where: Base-Base interactions energy: -761.004 where: short stacking energy: -336.633 Base-Backbone interact. energy: -0.112 local terms energy: -333.909098 where: bonds (distance) C4'-P energy: -64.450 bonds (distance) P-C4' energy: -59.177 flat angles C4'-P-C4' energy: -69.209 flat angles P-C4'-P energy: -44.212 tors. eta vs tors. theta energy: -96.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -1004.583314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.583314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.583314 (E_RNA) where: Base-Base interactions energy: -687.037 where: short stacking energy: -274.725 Base-Backbone interact. energy: -3.511 local terms energy: -314.035067 where: bonds (distance) C4'-P energy: -58.511 bonds (distance) P-C4' energy: -70.073 flat angles C4'-P-C4' energy: -65.070 flat angles P-C4'-P energy: -50.793 tors. eta vs tors. theta energy: -69.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -1011.093125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.093125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.093125 (E_RNA) where: Base-Base interactions energy: -681.488 where: short stacking energy: -280.098 Base-Backbone interact. energy: -2.751 local terms energy: -326.854704 where: bonds (distance) C4'-P energy: -64.468 bonds (distance) P-C4' energy: -64.403 flat angles C4'-P-C4' energy: -75.179 flat angles P-C4'-P energy: -44.884 tors. eta vs tors. theta energy: -77.921 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: 2 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -923.137300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.137300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.137300 (E_RNA) where: Base-Base interactions energy: -636.945 where: short stacking energy: -255.103 Base-Backbone interact. energy: -3.207 local terms energy: -282.984882 where: bonds (distance) C4'-P energy: -57.425 bonds (distance) P-C4' energy: -55.211 flat angles C4'-P-C4' energy: -60.738 flat angles P-C4'-P energy: -48.479 tors. eta vs tors. theta energy: -61.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -799.968684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.968684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.968684 (E_RNA) where: Base-Base interactions energy: -523.610 where: short stacking energy: -208.543 Base-Backbone interact. energy: -1.836 local terms energy: -274.522290 where: bonds (distance) C4'-P energy: -63.318 bonds (distance) P-C4' energy: -66.495 flat angles C4'-P-C4' energy: -63.626 flat angles P-C4'-P energy: -43.669 tors. eta vs tors. theta energy: -37.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -732.425960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.425960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.425960 (E_RNA) where: Base-Base interactions energy: -466.514 where: short stacking energy: -198.471 Base-Backbone interact. energy: -2.218 local terms energy: -263.693001 where: bonds (distance) C4'-P energy: -53.953 bonds (distance) P-C4' energy: -70.595 flat angles C4'-P-C4' energy: -61.320 flat angles P-C4'-P energy: -33.277 tors. eta vs tors. theta energy: -44.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -643.692431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.692431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.692431 (E_RNA) where: Base-Base interactions energy: -381.544 where: short stacking energy: -189.155 Base-Backbone interact. energy: -1.881 local terms energy: -260.267883 where: bonds (distance) C4'-P energy: -58.080 bonds (distance) P-C4' energy: -55.591 flat angles C4'-P-C4' energy: -65.262 flat angles P-C4'-P energy: -40.185 tors. eta vs tors. theta energy: -41.150 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: 8, replica: 9 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -559.785414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.785414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.785414 (E_RNA) where: Base-Base interactions energy: -333.858 where: short stacking energy: -142.816 Base-Backbone interact. energy: 1.196 local terms energy: -227.123294 where: bonds (distance) C4'-P energy: -55.629 bonds (distance) P-C4' energy: -56.014 flat angles C4'-P-C4' energy: -62.884 flat angles P-C4'-P energy: -36.677 tors. eta vs tors. theta energy: -15.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -521.759585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.759585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.759585 (E_RNA) where: Base-Base interactions energy: -289.487 where: short stacking energy: -142.277 Base-Backbone interact. energy: -0.425 local terms energy: -231.846944 where: bonds (distance) C4'-P energy: -64.911 bonds (distance) P-C4' energy: -63.126 flat angles C4'-P-C4' energy: -53.578 flat angles P-C4'-P energy: -31.108 tors. eta vs tors. theta energy: -19.125 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: 4 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -452.549666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.549666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.549666 (E_RNA) where: Base-Base interactions energy: -246.904 where: short stacking energy: -138.079 Base-Backbone interact. energy: 0.954 local terms energy: -206.599272 where: bonds (distance) C4'-P energy: -46.281 bonds (distance) P-C4' energy: -49.061 flat angles C4'-P-C4' energy: -65.272 flat angles P-C4'-P energy: -29.043 tors. eta vs tors. theta energy: -16.942 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: 8 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -1104.782862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.782862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.782862 (E_RNA) where: Base-Base interactions energy: -743.652 where: short stacking energy: -323.463 Base-Backbone interact. energy: 0.403 local terms energy: -361.533078 where: bonds (distance) C4'-P energy: -73.268 bonds (distance) P-C4' energy: -73.753 flat angles C4'-P-C4' energy: -77.580 flat angles P-C4'-P energy: -49.228 tors. eta vs tors. theta energy: -87.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -1057.383647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.383647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.383647 (E_RNA) where: Base-Base interactions energy: -714.243 where: short stacking energy: -298.058 Base-Backbone interact. energy: -1.446 local terms energy: -341.695125 where: bonds (distance) C4'-P energy: -72.068 bonds (distance) P-C4' energy: -66.209 flat angles C4'-P-C4' energy: -77.646 flat angles P-C4'-P energy: -43.254 tors. eta vs tors. theta energy: -82.518 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: 1 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -979.886221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.886221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.886221 (E_RNA) where: Base-Base interactions energy: -666.890 where: short stacking energy: -264.762 Base-Backbone interact. energy: -0.179 local terms energy: -312.817093 where: bonds (distance) C4'-P energy: -62.426 bonds (distance) P-C4' energy: -69.590 flat angles C4'-P-C4' energy: -60.011 flat angles P-C4'-P energy: -49.304 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: 4, replica: 2 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -908.383023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.383023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.383023 (E_RNA) where: Base-Base interactions energy: -641.002 where: short stacking energy: -227.895 Base-Backbone interact. energy: -0.441 local terms energy: -266.940343 where: bonds (distance) C4'-P energy: -61.293 bonds (distance) P-C4' energy: -51.454 flat angles C4'-P-C4' energy: -62.111 flat angles P-C4'-P energy: -40.519 tors. eta vs tors. theta energy: -51.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -857.627567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.627567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.627567 (E_RNA) where: Base-Base interactions energy: -580.625 where: short stacking energy: -246.265 Base-Backbone interact. energy: -0.452 local terms energy: -276.550925 where: bonds (distance) C4'-P energy: -52.252 bonds (distance) P-C4' energy: -62.855 flat angles C4'-P-C4' energy: -66.540 flat angles P-C4'-P energy: -33.288 tors. eta vs tors. theta energy: -61.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -747.964209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.964209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.964209 (E_RNA) where: Base-Base interactions energy: -488.538 where: short stacking energy: -214.485 Base-Backbone interact. energy: 0.229 local terms energy: -259.654384 where: bonds (distance) C4'-P energy: -65.287 bonds (distance) P-C4' energy: -60.036 flat angles C4'-P-C4' energy: -58.216 flat angles P-C4'-P energy: -37.005 tors. eta vs tors. theta energy: -39.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -643.870127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.870127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.870127 (E_RNA) where: Base-Base interactions energy: -403.701 where: short stacking energy: -180.539 Base-Backbone interact. energy: -2.765 local terms energy: -237.404567 where: bonds (distance) C4'-P energy: -54.749 bonds (distance) P-C4' energy: -59.241 flat angles C4'-P-C4' energy: -57.360 flat angles P-C4'-P energy: -29.219 tors. eta vs tors. theta energy: -36.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -564.628862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.628862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.628862 (E_RNA) where: Base-Base interactions energy: -342.343 where: short stacking energy: -152.489 Base-Backbone interact. energy: -2.490 local terms energy: -219.796195 where: bonds (distance) C4'-P energy: -55.115 bonds (distance) P-C4' energy: -48.358 flat angles C4'-P-C4' energy: -64.754 flat angles P-C4'-P energy: -35.652 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: 9, replica: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -552.148161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.148161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.148161 (E_RNA) where: Base-Base interactions energy: -340.303 where: short stacking energy: -178.671 Base-Backbone interact. energy: -0.133 local terms energy: -211.712996 where: bonds (distance) C4'-P energy: -52.423 bonds (distance) P-C4' energy: -48.676 flat angles C4'-P-C4' energy: -49.106 flat angles P-C4'-P energy: -38.254 tors. eta vs tors. theta energy: -23.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -457.427842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.427842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.427842 (E_RNA) where: Base-Base interactions energy: -245.239 where: short stacking energy: -133.441 Base-Backbone interact. energy: -0.701 local terms energy: -211.487457 where: bonds (distance) C4'-P energy: -57.646 bonds (distance) P-C4' energy: -61.304 flat angles C4'-P-C4' energy: -48.580 flat angles P-C4'-P energy: -26.609 tors. eta vs tors. theta energy: -17.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -1114.644757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.644757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.644757 (E_RNA) where: Base-Base interactions energy: -771.072 where: short stacking energy: -329.309 Base-Backbone interact. energy: -1.546 local terms energy: -342.026864 where: bonds (distance) C4'-P energy: -62.291 bonds (distance) P-C4' energy: -66.831 flat angles C4'-P-C4' energy: -73.807 flat angles P-C4'-P energy: -51.430 tors. eta vs tors. theta energy: -87.668 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: 3 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -1040.741849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.741849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.741849 (E_RNA) where: Base-Base interactions energy: -730.466 where: short stacking energy: -298.506 Base-Backbone interact. energy: -1.576 local terms energy: -308.699868 where: bonds (distance) C4'-P energy: -60.288 bonds (distance) P-C4' energy: -54.691 flat angles C4'-P-C4' energy: -63.181 flat angles P-C4'-P energy: -42.913 tors. eta vs tors. theta energy: -87.627 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: 1 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -1027.450233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.450233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.450233 (E_RNA) where: Base-Base interactions energy: -693.337 where: short stacking energy: -292.895 Base-Backbone interact. energy: 1.739 local terms energy: -335.852529 where: bonds (distance) C4'-P energy: -67.618 bonds (distance) P-C4' energy: -61.738 flat angles C4'-P-C4' energy: -73.815 flat angles P-C4'-P energy: -48.113 tors. eta vs tors. theta energy: -84.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -888.178670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.178670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.178670 (E_RNA) where: Base-Base interactions energy: -616.887 where: short stacking energy: -243.300 Base-Backbone interact. energy: -4.389 local terms energy: -266.902422 where: bonds (distance) C4'-P energy: -59.190 bonds (distance) P-C4' energy: -51.269 flat angles C4'-P-C4' energy: -67.742 flat angles P-C4'-P energy: -37.788 tors. eta vs tors. theta energy: -50.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -832.621657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.621657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.621657 (E_RNA) where: Base-Base interactions energy: -554.021 where: short stacking energy: -227.027 Base-Backbone interact. energy: -0.332 local terms energy: -278.269056 where: bonds (distance) C4'-P energy: -69.305 bonds (distance) P-C4' energy: -53.910 flat angles C4'-P-C4' energy: -68.474 flat angles P-C4'-P energy: -40.586 tors. eta vs tors. theta energy: -45.994 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: 5 ===================================== Write number: 63 Temperature: 1.150000 Total energy: -733.808596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.808596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.808596 (E_RNA) where: Base-Base interactions energy: -461.005 where: short stacking energy: -204.412 Base-Backbone interact. energy: -0.801 local terms energy: -272.002925 where: bonds (distance) C4'-P energy: -52.668 bonds (distance) P-C4' energy: -59.618 flat angles C4'-P-C4' energy: -70.605 flat angles P-C4'-P energy: -46.381 tors. eta vs tors. theta energy: -42.731 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: 9 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -665.677555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.677555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.677555 (E_RNA) where: Base-Base interactions energy: -440.820 where: short stacking energy: -183.690 Base-Backbone interact. energy: 3.297 local terms energy: -228.155104 where: bonds (distance) C4'-P energy: -46.780 bonds (distance) P-C4' energy: -56.086 flat angles C4'-P-C4' energy: -57.377 flat angles P-C4'-P energy: -38.372 tors. eta vs tors. theta energy: -29.540 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: 7 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -583.001320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.001320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.001320 (E_RNA) where: Base-Base interactions energy: -341.168 where: short stacking energy: -157.656 Base-Backbone interact. energy: -0.631 local terms energy: -241.201846 where: bonds (distance) C4'-P energy: -51.365 bonds (distance) P-C4' energy: -67.063 flat angles C4'-P-C4' energy: -56.825 flat angles P-C4'-P energy: -31.339 tors. eta vs tors. theta energy: -34.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -540.091299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.091299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.091299 (E_RNA) where: Base-Base interactions energy: -331.489 where: short stacking energy: -147.497 Base-Backbone interact. energy: -2.071 local terms energy: -206.530964 where: bonds (distance) C4'-P energy: -52.475 bonds (distance) P-C4' energy: -62.852 flat angles C4'-P-C4' energy: -44.612 flat angles P-C4'-P energy: -32.267 tors. eta vs tors. theta energy: -14.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -456.737221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.737221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.737221 (E_RNA) where: Base-Base interactions energy: -249.253 where: short stacking energy: -119.490 Base-Backbone interact. energy: -0.600 local terms energy: -206.884399 where: bonds (distance) C4'-P energy: -51.110 bonds (distance) P-C4' energy: -57.895 flat angles C4'-P-C4' energy: -49.851 flat angles P-C4'-P energy: -35.400 tors. eta vs tors. theta energy: -12.629 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: 8 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -1091.235933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.235933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.235933 (E_RNA) where: Base-Base interactions energy: -746.186 where: short stacking energy: -321.385 Base-Backbone interact. energy: -3.191 local terms energy: -341.858613 where: bonds (distance) C4'-P energy: -66.619 bonds (distance) P-C4' energy: -62.391 flat angles C4'-P-C4' energy: -78.254 flat angles P-C4'-P energy: -48.201 tors. eta vs tors. theta energy: -86.393 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: 3 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -1066.724392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.724392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.724392 (E_RNA) where: Base-Base interactions energy: -742.837 where: short stacking energy: -291.925 Base-Backbone interact. energy: 0.178 local terms energy: -324.065859 where: bonds (distance) C4'-P energy: -59.867 bonds (distance) P-C4' energy: -62.454 flat angles C4'-P-C4' energy: -74.804 flat angles P-C4'-P energy: -43.552 tors. eta vs tors. theta energy: -83.389 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: 1 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -977.212730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.212730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.212730 (E_RNA) where: Base-Base interactions energy: -652.523 where: short stacking energy: -270.784 Base-Backbone interact. energy: -1.641 local terms energy: -323.048994 where: bonds (distance) C4'-P energy: -55.253 bonds (distance) P-C4' energy: -73.837 flat angles C4'-P-C4' energy: -77.677 flat angles P-C4'-P energy: -51.282 tors. eta vs tors. theta energy: -64.999 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: 2 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -869.264792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.264792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.264792 (E_RNA) where: Base-Base interactions energy: -575.998 where: short stacking energy: -222.299 Base-Backbone interact. energy: 0.711 local terms energy: -293.977991 where: bonds (distance) C4'-P energy: -62.448 bonds (distance) P-C4' energy: -59.734 flat angles C4'-P-C4' energy: -67.328 flat angles P-C4'-P energy: -52.404 tors. eta vs tors. theta energy: -52.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -816.289415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.289415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.289415 (E_RNA) where: Base-Base interactions energy: -548.373 where: short stacking energy: -224.534 Base-Backbone interact. energy: -0.588 local terms energy: -267.327961 where: bonds (distance) C4'-P energy: -62.042 bonds (distance) P-C4' energy: -55.623 flat angles C4'-P-C4' energy: -56.453 flat angles P-C4'-P energy: -33.160 tors. eta vs tors. theta energy: -60.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -726.388068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.388068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.388068 (E_RNA) where: Base-Base interactions energy: -480.858 where: short stacking energy: -213.197 Base-Backbone interact. energy: -2.633 local terms energy: -242.896975 where: bonds (distance) C4'-P energy: -54.158 bonds (distance) P-C4' energy: -61.700 flat angles C4'-P-C4' energy: -47.645 flat angles P-C4'-P energy: -36.678 tors. eta vs tors. theta energy: -42.716 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: 9 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -679.664732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.664732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.664732 (E_RNA) where: Base-Base interactions energy: -424.355 where: short stacking energy: -192.101 Base-Backbone interact. energy: 0.373 local terms energy: -255.683260 where: bonds (distance) C4'-P energy: -49.241 bonds (distance) P-C4' energy: -62.431 flat angles C4'-P-C4' energy: -65.395 flat angles P-C4'-P energy: -30.529 tors. eta vs tors. theta energy: -48.088 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: 7 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -579.964488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.964488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.964488 (E_RNA) where: Base-Base interactions energy: -350.307 where: short stacking energy: -170.466 Base-Backbone interact. energy: -0.836 local terms energy: -228.821848 where: bonds (distance) C4'-P energy: -58.367 bonds (distance) P-C4' energy: -52.663 flat angles C4'-P-C4' energy: -51.361 flat angles P-C4'-P energy: -29.993 tors. eta vs tors. theta energy: -36.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -555.712942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.712942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.712942 (E_RNA) where: Base-Base interactions energy: -347.181 where: short stacking energy: -154.626 Base-Backbone interact. energy: 1.497 local terms energy: -210.028813 where: bonds (distance) C4'-P energy: -56.749 bonds (distance) P-C4' energy: -58.642 flat angles C4'-P-C4' energy: -39.403 flat angles P-C4'-P energy: -33.669 tors. eta vs tors. theta energy: -21.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -416.136079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.136079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.136079 (E_RNA) where: Base-Base interactions energy: -214.590 where: short stacking energy: -111.886 Base-Backbone interact. energy: -0.871 local terms energy: -200.675471 where: bonds (distance) C4'-P energy: -54.410 bonds (distance) P-C4' energy: -57.930 flat angles C4'-P-C4' energy: -56.377 flat angles P-C4'-P energy: -28.271 tors. eta vs tors. theta energy: -3.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -1103.426589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.426589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.426589 (E_RNA) where: Base-Base interactions energy: -748.818 where: short stacking energy: -338.235 Base-Backbone interact. energy: 0.008 local terms energy: -354.616508 where: bonds (distance) C4'-P energy: -68.847 bonds (distance) P-C4' energy: -67.215 flat angles C4'-P-C4' energy: -72.589 flat angles P-C4'-P energy: -50.378 tors. eta vs tors. theta energy: -95.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -1018.947131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.947131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.947131 (E_RNA) where: Base-Base interactions energy: -689.688 where: short stacking energy: -289.197 Base-Backbone interact. energy: -2.708 local terms energy: -326.551115 where: bonds (distance) C4'-P energy: -64.066 bonds (distance) P-C4' energy: -68.897 flat angles C4'-P-C4' energy: -69.743 flat angles P-C4'-P energy: -45.161 tors. eta vs tors. theta energy: -78.685 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: 65 Temperature: 1.000000 Total energy: -1035.136208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.136208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.136208 (E_RNA) where: Base-Base interactions energy: -713.818 where: short stacking energy: -276.474 Base-Backbone interact. energy: -1.403 local terms energy: -319.914390 where: bonds (distance) C4'-P energy: -73.913 bonds (distance) P-C4' energy: -55.259 flat angles C4'-P-C4' energy: -66.872 flat angles P-C4'-P energy: -45.019 tors. eta vs tors. theta energy: -78.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -843.854036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.854036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.854036 (E_RNA) where: Base-Base interactions energy: -560.412 where: short stacking energy: -236.729 Base-Backbone interact. energy: -1.339 local terms energy: -282.103405 where: bonds (distance) C4'-P energy: -64.661 bonds (distance) P-C4' energy: -62.395 flat angles C4'-P-C4' energy: -58.992 flat angles P-C4'-P energy: -40.055 tors. eta vs tors. theta energy: -56.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -852.864216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.864216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.864216 (E_RNA) where: Base-Base interactions energy: -575.025 where: short stacking energy: -233.089 Base-Backbone interact. energy: -3.845 local terms energy: -273.994087 where: bonds (distance) C4'-P energy: -61.288 bonds (distance) P-C4' energy: -59.370 flat angles C4'-P-C4' energy: -60.908 flat angles P-C4'-P energy: -36.399 tors. eta vs tors. theta energy: -56.030 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: 5 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -731.115109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.115109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.115109 (E_RNA) where: Base-Base interactions energy: -469.765 where: short stacking energy: -196.696 Base-Backbone interact. energy: 0.291 local terms energy: -261.641408 where: bonds (distance) C4'-P energy: -51.736 bonds (distance) P-C4' energy: -59.056 flat angles C4'-P-C4' energy: -60.396 flat angles P-C4'-P energy: -43.488 tors. eta vs tors. theta energy: -46.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -661.809306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.809306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.809306 (E_RNA) where: Base-Base interactions energy: -406.591 where: short stacking energy: -190.704 Base-Backbone interact. energy: -1.215 local terms energy: -254.004134 where: bonds (distance) C4'-P energy: -57.131 bonds (distance) P-C4' energy: -59.974 flat angles C4'-P-C4' energy: -60.182 flat angles P-C4'-P energy: -33.422 tors. eta vs tors. theta energy: -43.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -520.915912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.915912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.915912 (E_RNA) where: Base-Base interactions energy: -298.827 where: short stacking energy: -128.866 Base-Backbone interact. energy: -2.767 local terms energy: -219.321988 where: bonds (distance) C4'-P energy: -63.212 bonds (distance) P-C4' energy: -68.447 flat angles C4'-P-C4' energy: -55.188 flat angles P-C4'-P energy: -15.783 tors. eta vs tors. theta energy: -16.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -517.867147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.867147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.867147 (E_RNA) where: Base-Base interactions energy: -290.409 where: short stacking energy: -148.984 Base-Backbone interact. energy: -3.145 local terms energy: -224.312450 where: bonds (distance) C4'-P energy: -51.884 bonds (distance) P-C4' energy: -59.168 flat angles C4'-P-C4' energy: -58.289 flat angles P-C4'-P energy: -28.446 tors. eta vs tors. theta energy: -26.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -394.691098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.691098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.691098 (E_RNA) where: Base-Base interactions energy: -192.656 where: short stacking energy: -96.660 Base-Backbone interact. energy: 0.759 local terms energy: -202.794328 where: bonds (distance) C4'-P energy: -64.022 bonds (distance) P-C4' energy: -58.316 flat angles C4'-P-C4' energy: -52.198 flat angles P-C4'-P energy: -36.101 tors. eta vs tors. theta energy: 7.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -1130.801037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.801037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.801037 (E_RNA) where: Base-Base interactions energy: -772.411 where: short stacking energy: -335.590 Base-Backbone interact. energy: 0.510 local terms energy: -358.900604 where: bonds (distance) C4'-P energy: -71.500 bonds (distance) P-C4' energy: -69.896 flat angles C4'-P-C4' energy: -74.003 flat angles P-C4'-P energy: -52.125 tors. eta vs tors. theta energy: -91.378 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: 1 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -1017.234954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.234954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.234954 (E_RNA) where: Base-Base interactions energy: -678.352 where: short stacking energy: -280.222 Base-Backbone interact. energy: -4.988 local terms energy: -333.894863 where: bonds (distance) C4'-P energy: -72.430 bonds (distance) P-C4' energy: -66.831 flat angles C4'-P-C4' energy: -63.697 flat angles P-C4'-P energy: -51.227 tors. eta vs tors. theta energy: -79.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -1023.265027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.265027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.265027 (E_RNA) where: Base-Base interactions energy: -716.235 where: short stacking energy: -300.273 Base-Backbone interact. energy: 1.376 local terms energy: -308.406462 where: bonds (distance) C4'-P energy: -61.318 bonds (distance) P-C4' energy: -65.545 flat angles C4'-P-C4' energy: -64.771 flat angles P-C4'-P energy: -31.577 tors. eta vs tors. theta energy: -85.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -861.745394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.745394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.745394 (E_RNA) where: Base-Base interactions energy: -570.455 where: short stacking energy: -237.294 Base-Backbone interact. energy: -2.142 local terms energy: -289.148355 where: bonds (distance) C4'-P energy: -57.281 bonds (distance) P-C4' energy: -62.275 flat angles C4'-P-C4' energy: -67.710 flat angles P-C4'-P energy: -48.980 tors. eta vs tors. theta energy: -52.902 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: 2 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -831.561280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.561280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.561280 (E_RNA) where: Base-Base interactions energy: -544.843 where: short stacking energy: -218.443 Base-Backbone interact. energy: 1.586 local terms energy: -288.304064 where: bonds (distance) C4'-P energy: -60.533 bonds (distance) P-C4' energy: -72.118 flat angles C4'-P-C4' energy: -69.066 flat angles P-C4'-P energy: -35.880 tors. eta vs tors. theta energy: -50.706 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: 5 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -729.010632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.010632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.010632 (E_RNA) where: Base-Base interactions energy: -482.227 where: short stacking energy: -218.010 Base-Backbone interact. energy: 0.932 local terms energy: -247.714992 where: bonds (distance) C4'-P energy: -58.727 bonds (distance) P-C4' energy: -54.856 flat angles C4'-P-C4' energy: -59.313 flat angles P-C4'-P energy: -32.767 tors. eta vs tors. theta energy: -42.051 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: 9 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -665.073923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.073923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.073923 (E_RNA) where: Base-Base interactions energy: -412.900 where: short stacking energy: -186.527 Base-Backbone interact. energy: 1.812 local terms energy: -253.985515 where: bonds (distance) C4'-P energy: -56.273 bonds (distance) P-C4' energy: -72.706 flat angles C4'-P-C4' energy: -57.878 flat angles P-C4'-P energy: -29.985 tors. eta vs tors. theta energy: -37.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -545.345451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.345451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.345451 (E_RNA) where: Base-Base interactions energy: -325.054 where: short stacking energy: -159.368 Base-Backbone interact. energy: 2.163 local terms energy: -222.455171 where: bonds (distance) C4'-P energy: -35.897 bonds (distance) P-C4' energy: -64.544 flat angles C4'-P-C4' energy: -59.337 flat angles P-C4'-P energy: -39.169 tors. eta vs tors. theta energy: -23.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -532.117368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.117368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.117368 (E_RNA) where: Base-Base interactions energy: -311.378 where: short stacking energy: -131.964 Base-Backbone interact. energy: 0.768 local terms energy: -221.506506 where: bonds (distance) C4'-P energy: -57.919 bonds (distance) P-C4' energy: -57.977 flat angles C4'-P-C4' energy: -52.358 flat angles P-C4'-P energy: -29.009 tors. eta vs tors. theta energy: -24.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -427.066420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.066420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.066420 (E_RNA) where: Base-Base interactions energy: -241.615 where: short stacking energy: -111.356 Base-Backbone interact. energy: -0.711 local terms energy: -184.740853 where: bonds (distance) C4'-P energy: -52.453 bonds (distance) P-C4' energy: -53.781 flat angles C4'-P-C4' energy: -40.822 flat angles P-C4'-P energy: -32.754 tors. eta vs tors. theta energy: -4.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -1090.977150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.977150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.977150 (E_RNA) where: Base-Base interactions energy: -751.635 where: short stacking energy: -321.983 Base-Backbone interact. energy: 1.444 local terms energy: -340.785954 where: bonds (distance) C4'-P energy: -64.157 bonds (distance) P-C4' energy: -64.786 flat angles C4'-P-C4' energy: -71.859 flat angles P-C4'-P energy: -48.372 tors. eta vs tors. theta energy: -91.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -1020.800639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.800639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.800639 (E_RNA) where: Base-Base interactions energy: -694.028 where: short stacking energy: -299.266 Base-Backbone interact. energy: -0.563 local terms energy: -326.209442 where: bonds (distance) C4'-P energy: -58.931 bonds (distance) P-C4' energy: -66.572 flat angles C4'-P-C4' energy: -70.717 flat angles P-C4'-P energy: -49.475 tors. eta vs tors. theta energy: -80.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -1015.262134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.262134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.262134 (E_RNA) where: Base-Base interactions energy: -701.329 where: short stacking energy: -294.125 Base-Backbone interact. energy: 0.425 local terms energy: -314.357767 where: bonds (distance) C4'-P energy: -65.086 bonds (distance) P-C4' energy: -64.539 flat angles C4'-P-C4' energy: -62.622 flat angles P-C4'-P energy: -43.851 tors. eta vs tors. theta energy: -78.259 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: 6 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -855.792070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.792070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.792070 (E_RNA) where: Base-Base interactions energy: -566.096 where: short stacking energy: -225.895 Base-Backbone interact. energy: 0.406 local terms energy: -290.102600 where: bonds (distance) C4'-P energy: -65.910 bonds (distance) P-C4' energy: -62.002 flat angles C4'-P-C4' energy: -66.052 flat angles P-C4'-P energy: -35.073 tors. eta vs tors. theta energy: -61.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 67 Temperature: 1.100000 Total energy: -794.377942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.377942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.377942 (E_RNA) where: Base-Base interactions energy: -513.486 where: short stacking energy: -205.130 Base-Backbone interact. energy: -3.289 local terms energy: -277.602838 where: bonds (distance) C4'-P energy: -62.763 bonds (distance) P-C4' energy: -67.157 flat angles C4'-P-C4' energy: -64.140 flat angles P-C4'-P energy: -37.793 tors. eta vs tors. theta energy: -45.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -738.422577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.422577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.422577 (E_RNA) where: Base-Base interactions energy: -469.742 where: short stacking energy: -219.384 Base-Backbone interact. energy: -1.358 local terms energy: -267.322759 where: bonds (distance) C4'-P energy: -49.042 bonds (distance) P-C4' energy: -66.958 flat angles C4'-P-C4' energy: -66.772 flat angles P-C4'-P energy: -31.571 tors. eta vs tors. theta energy: -52.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -663.999704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.999704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.999704 (E_RNA) where: Base-Base interactions energy: -413.915 where: short stacking energy: -188.987 Base-Backbone interact. energy: -1.239 local terms energy: -248.845580 where: bonds (distance) C4'-P energy: -61.481 bonds (distance) P-C4' energy: -42.370 flat angles C4'-P-C4' energy: -61.643 flat angles P-C4'-P energy: -39.412 tors. eta vs tors. theta energy: -43.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -554.145065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.145065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.145065 (E_RNA) where: Base-Base interactions energy: -342.830 where: short stacking energy: -153.739 Base-Backbone interact. energy: -2.586 local terms energy: -208.728461 where: bonds (distance) C4'-P energy: -58.404 bonds (distance) P-C4' energy: -63.904 flat angles C4'-P-C4' energy: -46.842 flat angles P-C4'-P energy: -28.123 tors. eta vs tors. theta energy: -11.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -555.250821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.250821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.250821 (E_RNA) where: Base-Base interactions energy: -332.410 where: short stacking energy: -178.000 Base-Backbone interact. energy: -0.490 local terms energy: -222.350910 where: bonds (distance) C4'-P energy: -34.202 bonds (distance) P-C4' energy: -66.649 flat angles C4'-P-C4' energy: -53.795 flat angles P-C4'-P energy: -29.645 tors. eta vs tors. theta energy: -38.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -332.805515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -332.805515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -332.805515 (E_RNA) where: Base-Base interactions energy: -134.347 where: short stacking energy: -82.955 Base-Backbone interact. energy: 2.540 local terms energy: -200.998694 where: bonds (distance) C4'-P energy: -48.356 bonds (distance) P-C4' energy: -57.862 flat angles C4'-P-C4' energy: -55.574 flat angles P-C4'-P energy: -36.191 tors. eta vs tors. theta energy: -3.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -1081.094790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.094790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.094790 (E_RNA) where: Base-Base interactions energy: -722.070 where: short stacking energy: -306.189 Base-Backbone interact. energy: -0.437 local terms energy: -358.587888 where: bonds (distance) C4'-P energy: -57.533 bonds (distance) P-C4' energy: -71.773 flat angles C4'-P-C4' energy: -77.339 flat angles P-C4'-P energy: -56.439 tors. eta vs tors. theta energy: -95.503 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: 1 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -1040.187806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.187806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.187806 (E_RNA) where: Base-Base interactions energy: -713.543 where: short stacking energy: -295.396 Base-Backbone interact. energy: -3.561 local terms energy: -323.084187 where: bonds (distance) C4'-P energy: -67.970 bonds (distance) P-C4' energy: -69.582 flat angles C4'-P-C4' energy: -62.539 flat angles P-C4'-P energy: -43.255 tors. eta vs tors. theta energy: -79.738 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: 3, replica: 3 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -970.758837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.758837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.758837 (E_RNA) where: Base-Base interactions energy: -664.422 where: short stacking energy: -292.772 Base-Backbone interact. energy: 0.494 local terms energy: -306.831015 where: bonds (distance) C4'-P energy: -59.061 bonds (distance) P-C4' energy: -65.401 flat angles C4'-P-C4' energy: -62.117 flat angles P-C4'-P energy: -47.408 tors. eta vs tors. theta energy: -72.844 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: 6 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -858.460387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.460387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.460387 (E_RNA) where: Base-Base interactions energy: -580.847 where: short stacking energy: -232.838 Base-Backbone interact. energy: -2.086 local terms energy: -275.527441 where: bonds (distance) C4'-P energy: -50.093 bonds (distance) P-C4' energy: -62.042 flat angles C4'-P-C4' energy: -62.432 flat angles P-C4'-P energy: -50.330 tors. eta vs tors. theta energy: -50.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -817.970763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.970763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.970763 (E_RNA) where: Base-Base interactions energy: -534.712 where: short stacking energy: -217.908 Base-Backbone interact. energy: -2.896 local terms energy: -280.362985 where: bonds (distance) C4'-P energy: -53.974 bonds (distance) P-C4' energy: -63.092 flat angles C4'-P-C4' energy: -63.896 flat angles P-C4'-P energy: -44.150 tors. eta vs tors. theta energy: -55.250 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: 5 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -711.990793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.990793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.990793 (E_RNA) where: Base-Base interactions energy: -443.973 where: short stacking energy: -187.617 Base-Backbone interact. energy: -1.759 local terms energy: -266.259518 where: bonds (distance) C4'-P energy: -68.220 bonds (distance) P-C4' energy: -66.835 flat angles C4'-P-C4' energy: -54.747 flat angles P-C4'-P energy: -41.158 tors. eta vs tors. theta energy: -35.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -677.542192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.542192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.542192 (E_RNA) where: Base-Base interactions energy: -438.372 where: short stacking energy: -191.706 Base-Backbone interact. energy: -1.804 local terms energy: -237.366010 where: bonds (distance) C4'-P energy: -58.340 bonds (distance) P-C4' energy: -50.042 flat angles C4'-P-C4' energy: -61.450 flat angles P-C4'-P energy: -33.224 tors. eta vs tors. theta energy: -34.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -656.503528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.503528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.503528 (E_RNA) where: Base-Base interactions energy: -400.699 where: short stacking energy: -191.862 Base-Backbone interact. energy: 1.953 local terms energy: -257.757644 where: bonds (distance) C4'-P energy: -53.065 bonds (distance) P-C4' energy: -64.363 flat angles C4'-P-C4' energy: -62.061 flat angles P-C4'-P energy: -38.354 tors. eta vs tors. theta energy: -39.914 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: 7 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -594.463876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.463876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.463876 (E_RNA) where: Base-Base interactions energy: -379.474 where: short stacking energy: -171.205 Base-Backbone interact. energy: -0.154 local terms energy: -214.835712 where: bonds (distance) C4'-P energy: -49.586 bonds (distance) P-C4' energy: -50.098 flat angles C4'-P-C4' energy: -51.463 flat angles P-C4'-P energy: -35.074 tors. eta vs tors. theta energy: -28.615 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: 10, replica: 4 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -338.562020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -338.562020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -338.562020 (E_RNA) where: Base-Base interactions energy: -155.119 where: short stacking energy: -100.840 Base-Backbone interact. energy: -0.284 local terms energy: -183.158416 where: bonds (distance) C4'-P energy: -50.121 bonds (distance) P-C4' energy: -54.891 flat angles C4'-P-C4' energy: -46.925 flat angles P-C4'-P energy: -31.178 tors. eta vs tors. theta energy: -0.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -1072.530209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.530209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.530209 (E_RNA) where: Base-Base interactions energy: -728.067 where: short stacking energy: -318.307 Base-Backbone interact. energy: -2.414 local terms energy: -342.049401 where: bonds (distance) C4'-P energy: -66.649 bonds (distance) P-C4' energy: -64.626 flat angles C4'-P-C4' energy: -68.893 flat angles P-C4'-P energy: -51.775 tors. eta vs tors. theta energy: -90.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -1032.245477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.245477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.245477 (E_RNA) where: Base-Base interactions energy: -704.707 where: short stacking energy: -297.107 Base-Backbone interact. energy: -4.013 local terms energy: -323.525554 where: bonds (distance) C4'-P energy: -69.884 bonds (distance) P-C4' energy: -63.954 flat angles C4'-P-C4' energy: -67.138 flat angles P-C4'-P energy: -44.086 tors. eta vs tors. theta energy: -78.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -1005.856584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.856584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.856584 (E_RNA) where: Base-Base interactions energy: -675.900 where: short stacking energy: -289.059 Base-Backbone interact. energy: -1.531 local terms energy: -328.425963 where: bonds (distance) C4'-P energy: -54.647 bonds (distance) P-C4' energy: -77.714 flat angles C4'-P-C4' energy: -75.985 flat angles P-C4'-P energy: -44.889 tors. eta vs tors. theta energy: -75.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -843.854718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.854718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.854718 (E_RNA) where: Base-Base interactions energy: -568.847 where: short stacking energy: -214.184 Base-Backbone interact. energy: -0.765 local terms energy: -274.242106 where: bonds (distance) C4'-P energy: -60.022 bonds (distance) P-C4' energy: -62.715 flat angles C4'-P-C4' energy: -62.254 flat angles P-C4'-P energy: -41.344 tors. eta vs tors. theta energy: -47.908 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: 2 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -851.897571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.897571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.897571 (E_RNA) where: Base-Base interactions energy: -583.145 where: short stacking energy: -244.571 Base-Backbone interact. energy: -2.014 local terms energy: -266.738643 where: bonds (distance) C4'-P energy: -56.627 bonds (distance) P-C4' energy: -60.358 flat angles C4'-P-C4' energy: -64.798 flat angles P-C4'-P energy: -32.004 tors. eta vs tors. theta energy: -52.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -712.420403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.420403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.420403 (E_RNA) where: Base-Base interactions energy: -452.876 where: short stacking energy: -183.861 Base-Backbone interact. energy: -1.322 local terms energy: -258.222311 where: bonds (distance) C4'-P energy: -59.982 bonds (distance) P-C4' energy: -65.125 flat angles C4'-P-C4' energy: -62.241 flat angles P-C4'-P energy: -38.509 tors. eta vs tors. theta energy: -32.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -629.755519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.755519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.755519 (E_RNA) where: Base-Base interactions energy: -391.179 where: short stacking energy: -170.802 Base-Backbone interact. energy: 2.073 local terms energy: -240.649969 where: bonds (distance) C4'-P energy: -63.470 bonds (distance) P-C4' energy: -67.946 flat angles C4'-P-C4' energy: -54.271 flat angles P-C4'-P energy: -31.645 tors. eta vs tors. theta energy: -23.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -572.780969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.780969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.780969 (E_RNA) where: Base-Base interactions energy: -342.191 where: short stacking energy: -154.400 Base-Backbone interact. energy: -1.991 local terms energy: -228.598511 where: bonds (distance) C4'-P energy: -63.918 bonds (distance) P-C4' energy: -51.716 flat angles C4'-P-C4' energy: -56.565 flat angles P-C4'-P energy: -35.285 tors. eta vs tors. theta energy: -21.115 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: 9, replica: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -546.196885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.196885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.196885 (E_RNA) where: Base-Base interactions energy: -350.925 where: short stacking energy: -156.494 Base-Backbone interact. energy: 0.311 local terms energy: -195.583438 where: bonds (distance) C4'-P energy: -55.993 bonds (distance) P-C4' energy: -48.446 flat angles C4'-P-C4' energy: -32.956 flat angles P-C4'-P energy: -28.337 tors. eta vs tors. theta energy: -29.851 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: 69 Temperature: 1.350000 Total energy: -325.882870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.882870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.882870 (E_RNA) where: Base-Base interactions energy: -154.800 where: short stacking energy: -93.728 Base-Backbone interact. energy: 0.457 local terms energy: -171.540261 where: bonds (distance) C4'-P energy: -50.772 bonds (distance) P-C4' energy: -52.822 flat angles C4'-P-C4' energy: -47.367 flat angles P-C4'-P energy: -29.032 tors. eta vs tors. theta energy: 8.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -1071.698722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.698722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.698722 (E_RNA) where: Base-Base interactions energy: -721.865 where: short stacking energy: -318.136 Base-Backbone interact. energy: -0.142 local terms energy: -349.692008 where: bonds (distance) C4'-P energy: -60.420 bonds (distance) P-C4' energy: -78.217 flat angles C4'-P-C4' energy: -77.572 flat angles P-C4'-P energy: -48.106 tors. eta vs tors. theta energy: -85.377 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: 1 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -1017.065632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.065632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.065632 (E_RNA) where: Base-Base interactions energy: -698.875 where: short stacking energy: -276.769 Base-Backbone interact. energy: -0.415 local terms energy: -317.775766 where: bonds (distance) C4'-P energy: -64.765 bonds (distance) P-C4' energy: -69.553 flat angles C4'-P-C4' energy: -61.742 flat angles P-C4'-P energy: -47.844 tors. eta vs tors. theta energy: -73.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -1022.270324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.270324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.270324 (E_RNA) where: Base-Base interactions energy: -706.185 where: short stacking energy: -286.404 Base-Backbone interact. energy: -3.104 local terms energy: -312.980949 where: bonds (distance) C4'-P energy: -54.693 bonds (distance) P-C4' energy: -59.677 flat angles C4'-P-C4' energy: -64.157 flat angles P-C4'-P energy: -49.646 tors. eta vs tors. theta energy: -84.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -819.332966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.332966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.332966 (E_RNA) where: Base-Base interactions energy: -538.107 where: short stacking energy: -223.284 Base-Backbone interact. energy: -0.827 local terms energy: -280.399043 where: bonds (distance) C4'-P energy: -58.359 bonds (distance) P-C4' energy: -62.607 flat angles C4'-P-C4' energy: -65.836 flat angles P-C4'-P energy: -43.736 tors. eta vs tors. theta energy: -49.861 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: 2 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -827.169610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.169610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.169610 (E_RNA) where: Base-Base interactions energy: -553.628 where: short stacking energy: -208.363 Base-Backbone interact. energy: -1.619 local terms energy: -271.922712 where: bonds (distance) C4'-P energy: -52.442 bonds (distance) P-C4' energy: -57.982 flat angles C4'-P-C4' energy: -64.340 flat angles P-C4'-P energy: -42.504 tors. eta vs tors. theta energy: -54.654 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: 5 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -739.328888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.328888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.328888 (E_RNA) where: Base-Base interactions energy: -474.318 where: short stacking energy: -207.679 Base-Backbone interact. energy: -1.774 local terms energy: -263.236731 where: bonds (distance) C4'-P energy: -60.686 bonds (distance) P-C4' energy: -50.940 flat angles C4'-P-C4' energy: -63.093 flat angles P-C4'-P energy: -43.793 tors. eta vs tors. theta energy: -44.725 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: 70 Temperature: 1.200000 Total energy: -691.899982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.899982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.899982 (E_RNA) where: Base-Base interactions energy: -440.583 where: short stacking energy: -188.673 Base-Backbone interact. energy: -0.894 local terms energy: -250.422919 where: bonds (distance) C4'-P energy: -54.731 bonds (distance) P-C4' energy: -60.725 flat angles C4'-P-C4' energy: -59.148 flat angles P-C4'-P energy: -33.633 tors. eta vs tors. theta energy: -42.185 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: 8, replica: 10 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -625.104464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.104464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.104464 (E_RNA) where: Base-Base interactions energy: -386.336 where: short stacking energy: -189.642 Base-Backbone interact. energy: 3.372 local terms energy: -242.140964 where: bonds (distance) C4'-P energy: -57.802 bonds (distance) P-C4' energy: -51.945 flat angles C4'-P-C4' energy: -58.045 flat angles P-C4'-P energy: -36.094 tors. eta vs tors. theta energy: -38.255 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: 9, replica: 7 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -530.806256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.806256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.806256 (E_RNA) where: Base-Base interactions energy: -326.247 where: short stacking energy: -158.545 Base-Backbone interact. energy: 0.938 local terms energy: -205.497076 where: bonds (distance) C4'-P energy: -49.963 bonds (distance) P-C4' energy: -50.849 flat angles C4'-P-C4' energy: -53.757 flat angles P-C4'-P energy: -29.924 tors. eta vs tors. theta energy: -21.004 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: 10, replica: 4 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -278.180025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.180025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.180025 (E_RNA) where: Base-Base interactions energy: -112.677 where: short stacking energy: -96.212 Base-Backbone interact. energy: -0.428 local terms energy: -165.074890 where: bonds (distance) C4'-P energy: -59.517 bonds (distance) P-C4' energy: -67.110 flat angles C4'-P-C4' energy: -40.090 flat angles P-C4'-P energy: -7.269 tors. eta vs tors. theta energy: 8.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -1068.458076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.458076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.458076 (E_RNA) where: Base-Base interactions energy: -716.906 where: short stacking energy: -320.223 Base-Backbone interact. energy: -1.981 local terms energy: -349.571027 where: bonds (distance) C4'-P energy: -58.412 bonds (distance) P-C4' energy: -70.550 flat angles C4'-P-C4' energy: -75.886 flat angles P-C4'-P energy: -54.117 tors. eta vs tors. theta energy: -90.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -1021.994779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.994779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.994779 (E_RNA) where: Base-Base interactions energy: -672.511 where: short stacking energy: -275.754 Base-Backbone interact. energy: -1.882 local terms energy: -347.601994 where: bonds (distance) C4'-P energy: -62.183 bonds (distance) P-C4' energy: -74.758 flat angles C4'-P-C4' energy: -78.691 flat angles P-C4'-P energy: -44.211 tors. eta vs tors. theta energy: -87.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -1001.287540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.287540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.287540 (E_RNA) where: Base-Base interactions energy: -686.455 where: short stacking energy: -289.976 Base-Backbone interact. energy: -2.599 local terms energy: -312.233847 where: bonds (distance) C4'-P energy: -67.260 bonds (distance) P-C4' energy: -59.138 flat angles C4'-P-C4' energy: -61.372 flat angles P-C4'-P energy: -50.450 tors. eta vs tors. theta energy: -74.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -840.619002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.619002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.619002 (E_RNA) where: Base-Base interactions energy: -552.771 where: short stacking energy: -228.417 Base-Backbone interact. energy: -1.318 local terms energy: -286.530036 where: bonds (distance) C4'-P energy: -70.013 bonds (distance) P-C4' energy: -66.418 flat angles C4'-P-C4' energy: -57.978 flat angles P-C4'-P energy: -41.791 tors. eta vs tors. theta energy: -50.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -842.758313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.758313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.758313 (E_RNA) where: Base-Base interactions energy: -553.568 where: short stacking energy: -222.672 Base-Backbone interact. energy: -0.031 local terms energy: -289.158979 where: bonds (distance) C4'-P energy: -61.791 bonds (distance) P-C4' energy: -62.989 flat angles C4'-P-C4' energy: -63.873 flat angles P-C4'-P energy: -41.430 tors. eta vs tors. theta energy: -59.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -723.504540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.504540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.504540 (E_RNA) where: Base-Base interactions energy: -472.991 where: short stacking energy: -193.341 Base-Backbone interact. energy: -0.838 local terms energy: -249.675972 where: bonds (distance) C4'-P energy: -55.493 bonds (distance) P-C4' energy: -64.854 flat angles C4'-P-C4' energy: -49.476 flat angles P-C4'-P energy: -48.811 tors. eta vs tors. theta energy: -31.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -686.069757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.069757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.069757 (E_RNA) where: Base-Base interactions energy: -445.438 where: short stacking energy: -189.902 Base-Backbone interact. energy: 2.334 local terms energy: -242.966013 where: bonds (distance) C4'-P energy: -59.881 bonds (distance) P-C4' energy: -60.683 flat angles C4'-P-C4' energy: -52.167 flat angles P-C4'-P energy: -26.992 tors. eta vs tors. theta energy: -43.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -579.879824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.879824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.879824 (E_RNA) where: Base-Base interactions energy: -348.838 where: short stacking energy: -187.452 Base-Backbone interact. energy: -1.680 local terms energy: -229.362297 where: bonds (distance) C4'-P energy: -48.921 bonds (distance) P-C4' energy: -64.620 flat angles C4'-P-C4' energy: -56.214 flat angles P-C4'-P energy: -27.852 tors. eta vs tors. theta energy: -31.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -560.562711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.562711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.562711 (E_RNA) where: Base-Base interactions energy: -342.291 where: short stacking energy: -146.870 Base-Backbone interact. energy: -0.567 local terms energy: -217.704198 where: bonds (distance) C4'-P energy: -53.868 bonds (distance) P-C4' energy: -70.162 flat angles C4'-P-C4' energy: -48.445 flat angles P-C4'-P energy: -27.499 tors. eta vs tors. theta energy: -17.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -273.267435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.267435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.267435 (E_RNA) where: Base-Base interactions energy: -97.772 where: short stacking energy: -89.360 Base-Backbone interact. energy: 0.773 local terms energy: -176.268360 where: bonds (distance) C4'-P energy: -60.219 bonds (distance) P-C4' energy: -48.955 flat angles C4'-P-C4' energy: -39.104 flat angles P-C4'-P energy: -22.710 tors. eta vs tors. theta energy: -5.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -1110.049687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.049687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.049687 (E_RNA) where: Base-Base interactions energy: -752.541 where: short stacking energy: -329.983 Base-Backbone interact. energy: -0.089 local terms energy: -357.420069 where: bonds (distance) C4'-P energy: -73.207 bonds (distance) P-C4' energy: -70.039 flat angles C4'-P-C4' energy: -73.613 flat angles P-C4'-P energy: -43.939 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: 2, replica: 1 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -999.060073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.060073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.060073 (E_RNA) where: Base-Base interactions energy: -674.857 where: short stacking energy: -287.392 Base-Backbone interact. energy: -3.795 local terms energy: -320.408429 where: bonds (distance) C4'-P energy: -68.654 bonds (distance) P-C4' energy: -68.342 flat angles C4'-P-C4' energy: -66.019 flat angles P-C4'-P energy: -48.537 tors. eta vs tors. theta energy: -68.856 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: 3, replica: 3 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -1013.893265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.893265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.893265 (E_RNA) where: Base-Base interactions energy: -710.546 where: short stacking energy: -296.437 Base-Backbone interact. energy: -1.703 local terms energy: -301.643679 where: bonds (distance) C4'-P energy: -44.248 bonds (distance) P-C4' energy: -55.343 flat angles C4'-P-C4' energy: -75.068 flat angles P-C4'-P energy: -45.207 tors. eta vs tors. theta energy: -81.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -870.301973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.301973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.301973 (E_RNA) where: Base-Base interactions energy: -577.330 where: short stacking energy: -241.853 Base-Backbone interact. energy: -2.254 local terms energy: -290.718757 where: bonds (distance) C4'-P energy: -64.582 bonds (distance) P-C4' energy: -65.282 flat angles C4'-P-C4' energy: -66.814 flat angles P-C4'-P energy: -40.500 tors. eta vs tors. theta energy: -53.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -856.219611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.219611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.219611 (E_RNA) where: Base-Base interactions energy: -573.810 where: short stacking energy: -232.639 Base-Backbone interact. energy: -0.847 local terms energy: -281.563004 where: bonds (distance) C4'-P energy: -62.253 bonds (distance) P-C4' energy: -51.201 flat angles C4'-P-C4' energy: -64.633 flat angles P-C4'-P energy: -46.584 tors. eta vs tors. theta energy: -56.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -696.496514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.496514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.496514 (E_RNA) where: Base-Base interactions energy: -466.229 where: short stacking energy: -187.735 Base-Backbone interact. energy: 2.375 local terms energy: -232.642994 where: bonds (distance) C4'-P energy: -47.772 bonds (distance) P-C4' energy: -64.972 flat angles C4'-P-C4' energy: -56.440 flat angles P-C4'-P energy: -37.287 tors. eta vs tors. theta energy: -26.172 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: 72 Temperature: 1.200000 Total energy: -666.391894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.391894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.391894 (E_RNA) where: Base-Base interactions energy: -420.372 where: short stacking energy: -199.565 Base-Backbone interact. energy: -1.389 local terms energy: -244.631174 where: bonds (distance) C4'-P energy: -53.335 bonds (distance) P-C4' energy: -55.144 flat angles C4'-P-C4' energy: -59.298 flat angles P-C4'-P energy: -37.332 tors. eta vs tors. theta energy: -39.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -584.878691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.878691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.878691 (E_RNA) where: Base-Base interactions energy: -359.653 where: short stacking energy: -177.045 Base-Backbone interact. energy: -2.221 local terms energy: -223.005496 where: bonds (distance) C4'-P energy: -48.494 bonds (distance) P-C4' energy: -63.503 flat angles C4'-P-C4' energy: -62.799 flat angles P-C4'-P energy: -22.359 tors. eta vs tors. theta energy: -25.850 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: 72 Temperature: 1.300000 Total energy: -534.264200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -534.264200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -534.264200 (E_RNA) where: Base-Base interactions energy: -330.062 where: short stacking energy: -144.820 Base-Backbone interact. energy: -2.669 local terms energy: -201.533730 where: bonds (distance) C4'-P energy: -48.858 bonds (distance) P-C4' energy: -53.007 flat angles C4'-P-C4' energy: -53.624 flat angles P-C4'-P energy: -20.695 tors. eta vs tors. theta energy: -25.350 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: 10, replica: 4 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -273.933486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.933486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.933486 (E_RNA) where: Base-Base interactions energy: -107.136 where: short stacking energy: -79.212 Base-Backbone interact. energy: -0.180 local terms energy: -166.617380 where: bonds (distance) C4'-P energy: -50.750 bonds (distance) P-C4' energy: -53.588 flat angles C4'-P-C4' energy: -51.205 flat angles P-C4'-P energy: -21.718 tors. eta vs tors. theta energy: 10.644 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: 1, replica: 8 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -1108.949397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.949397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.949397 (E_RNA) where: Base-Base interactions energy: -762.866 where: short stacking energy: -320.381 Base-Backbone interact. energy: -1.642 local terms energy: -344.441058 where: bonds (distance) C4'-P energy: -61.201 bonds (distance) P-C4' energy: -60.446 flat angles C4'-P-C4' energy: -75.804 flat angles P-C4'-P energy: -54.889 tors. eta vs tors. theta energy: -92.101 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: 3 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -1047.342328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.342328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.342328 (E_RNA) where: Base-Base interactions energy: -717.565 where: short stacking energy: -311.724 Base-Backbone interact. energy: -0.727 local terms energy: -329.049997 where: bonds (distance) C4'-P energy: -60.632 bonds (distance) P-C4' energy: -59.837 flat angles C4'-P-C4' energy: -72.495 flat angles P-C4'-P energy: -45.775 tors. eta vs tors. theta energy: -90.311 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: 1 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -1024.418904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.418904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.418904 (E_RNA) where: Base-Base interactions energy: -700.289 where: short stacking energy: -285.980 Base-Backbone interact. energy: 6.103 local terms energy: -330.232891 where: bonds (distance) C4'-P energy: -59.437 bonds (distance) P-C4' energy: -74.167 flat angles C4'-P-C4' energy: -70.533 flat angles P-C4'-P energy: -43.357 tors. eta vs tors. theta energy: -82.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -857.512068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.512068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.512068 (E_RNA) where: Base-Base interactions energy: -557.039 where: short stacking energy: -236.023 Base-Backbone interact. energy: -2.171 local terms energy: -298.301934 where: bonds (distance) C4'-P energy: -54.675 bonds (distance) P-C4' energy: -60.376 flat angles C4'-P-C4' energy: -71.862 flat angles P-C4'-P energy: -48.935 tors. eta vs tors. theta energy: -62.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -834.043883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.043883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.043883 (E_RNA) where: Base-Base interactions energy: -569.553 where: short stacking energy: -225.639 Base-Backbone interact. energy: -1.486 local terms energy: -263.005112 where: bonds (distance) C4'-P energy: -60.262 bonds (distance) P-C4' energy: -58.966 flat angles C4'-P-C4' energy: -58.467 flat angles P-C4'-P energy: -24.143 tors. eta vs tors. theta energy: -61.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -701.204812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.204812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.204812 (E_RNA) where: Base-Base interactions energy: -447.947 where: short stacking energy: -203.239 Base-Backbone interact. energy: -2.171 local terms energy: -251.085924 where: bonds (distance) C4'-P energy: -60.571 bonds (distance) P-C4' energy: -56.813 flat angles C4'-P-C4' energy: -65.139 flat angles P-C4'-P energy: -39.756 tors. eta vs tors. theta energy: -28.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -650.012585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.012585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.012585 (E_RNA) where: Base-Base interactions energy: -400.038 where: short stacking energy: -179.375 Base-Backbone interact. energy: 0.040 local terms energy: -250.014369 where: bonds (distance) C4'-P energy: -55.781 bonds (distance) P-C4' energy: -61.817 flat angles C4'-P-C4' energy: -62.826 flat angles P-C4'-P energy: -40.819 tors. eta vs tors. theta energy: -28.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -568.169027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.169027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.169027 (E_RNA) where: Base-Base interactions energy: -331.964 where: short stacking energy: -162.785 Base-Backbone interact. energy: 0.275 local terms energy: -236.480448 where: bonds (distance) C4'-P energy: -54.443 bonds (distance) P-C4' energy: -45.561 flat angles C4'-P-C4' energy: -62.554 flat angles P-C4'-P energy: -37.813 tors. eta vs tors. theta energy: -36.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -538.928110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.928110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.928110 (E_RNA) where: Base-Base interactions energy: -343.235 where: short stacking energy: -158.368 Base-Backbone interact. energy: -3.256 local terms energy: -192.437006 where: bonds (distance) C4'-P energy: -42.060 bonds (distance) P-C4' energy: -44.022 flat angles C4'-P-C4' energy: -47.162 flat angles P-C4'-P energy: -33.194 tors. eta vs tors. theta energy: -25.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -269.261649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.261649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.261649 (E_RNA) where: Base-Base interactions energy: -94.437 where: short stacking energy: -81.461 Base-Backbone interact. energy: 0.147 local terms energy: -174.972039 where: bonds (distance) C4'-P energy: -57.285 bonds (distance) P-C4' energy: -55.309 flat angles C4'-P-C4' energy: -54.458 flat angles P-C4'-P energy: -24.273 tors. eta vs tors. theta energy: 16.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -1140.975625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.975625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.975625 (E_RNA) where: Base-Base interactions energy: -765.158 where: short stacking energy: -310.788 Base-Backbone interact. energy: -5.024 local terms energy: -370.793173 where: bonds (distance) C4'-P energy: -72.288 bonds (distance) P-C4' energy: -66.600 flat angles C4'-P-C4' energy: -76.587 flat angles P-C4'-P energy: -65.084 tors. eta vs tors. theta energy: -90.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -1046.421947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.421947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.421947 (E_RNA) where: Base-Base interactions energy: -722.593 where: short stacking energy: -290.506 Base-Backbone interact. energy: -0.377 local terms energy: -323.451906 where: bonds (distance) C4'-P energy: -69.232 bonds (distance) P-C4' energy: -71.342 flat angles C4'-P-C4' energy: -63.655 flat angles P-C4'-P energy: -42.523 tors. eta vs tors. theta energy: -76.700 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: 1 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -1021.392166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.392166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.392166 (E_RNA) where: Base-Base interactions energy: -695.167 where: short stacking energy: -285.677 Base-Backbone interact. energy: -2.084 local terms energy: -324.141036 where: bonds (distance) C4'-P energy: -62.234 bonds (distance) P-C4' energy: -63.189 flat angles C4'-P-C4' energy: -68.378 flat angles P-C4'-P energy: -48.341 tors. eta vs tors. theta energy: -82.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -831.087089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.087089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.087089 (E_RNA) where: Base-Base interactions energy: -552.610 where: short stacking energy: -232.019 Base-Backbone interact. energy: -0.408 local terms energy: -278.068957 where: bonds (distance) C4'-P energy: -55.550 bonds (distance) P-C4' energy: -60.209 flat angles C4'-P-C4' energy: -65.249 flat angles P-C4'-P energy: -42.903 tors. eta vs tors. theta energy: -54.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -904.089090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.089090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.089090 (E_RNA) where: Base-Base interactions energy: -617.928 where: short stacking energy: -275.705 Base-Backbone interact. energy: -0.578 local terms energy: -285.583669 where: bonds (distance) C4'-P energy: -57.548 bonds (distance) P-C4' energy: -43.310 flat angles C4'-P-C4' energy: -60.790 flat angles P-C4'-P energy: -50.224 tors. eta vs tors. theta energy: -73.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -668.050133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.050133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.050133 (E_RNA) where: Base-Base interactions energy: -418.601 where: short stacking energy: -187.026 Base-Backbone interact. energy: -0.781 local terms energy: -248.668496 where: bonds (distance) C4'-P energy: -54.751 bonds (distance) P-C4' energy: -59.086 flat angles C4'-P-C4' energy: -55.954 flat angles P-C4'-P energy: -41.827 tors. eta vs tors. theta energy: -37.051 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: 5 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -641.763206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.763206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.763206 (E_RNA) where: Base-Base interactions energy: -403.387 where: short stacking energy: -185.944 Base-Backbone interact. energy: -0.541 local terms energy: -237.834960 where: bonds (distance) C4'-P energy: -51.007 bonds (distance) P-C4' energy: -64.221 flat angles C4'-P-C4' energy: -53.151 flat angles P-C4'-P energy: -40.449 tors. eta vs tors. theta energy: -29.007 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: 8, replica: 7 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -557.602817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.602817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.602817 (E_RNA) where: Base-Base interactions energy: -318.494 where: short stacking energy: -166.687 Base-Backbone interact. energy: 0.046 local terms energy: -239.154512 where: bonds (distance) C4'-P energy: -61.333 bonds (distance) P-C4' energy: -59.861 flat angles C4'-P-C4' energy: -49.237 flat angles P-C4'-P energy: -37.049 tors. eta vs tors. theta energy: -31.675 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: 74 Temperature: 1.300000 Total energy: -524.682065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.682065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.682065 (E_RNA) where: Base-Base interactions energy: -332.859 where: short stacking energy: -136.477 Base-Backbone interact. energy: -1.331 local terms energy: -190.491572 where: bonds (distance) C4'-P energy: -42.228 bonds (distance) P-C4' energy: -55.612 flat angles C4'-P-C4' energy: -51.072 flat angles P-C4'-P energy: -19.496 tors. eta vs tors. theta energy: -22.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -298.228597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.228597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.228597 (E_RNA) where: Base-Base interactions energy: -98.611 where: short stacking energy: -92.536 Base-Backbone interact. energy: -0.806 local terms energy: -198.811430 where: bonds (distance) C4'-P energy: -60.674 bonds (distance) P-C4' energy: -58.727 flat angles C4'-P-C4' energy: -58.949 flat angles P-C4'-P energy: -23.201 tors. eta vs tors. theta energy: 2.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -1123.956646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.956646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.956646 (E_RNA) where: Base-Base interactions energy: -761.090 where: short stacking energy: -322.943 Base-Backbone interact. energy: -3.262 local terms energy: -359.605497 where: bonds (distance) C4'-P energy: -62.165 bonds (distance) P-C4' energy: -67.061 flat angles C4'-P-C4' energy: -78.921 flat angles P-C4'-P energy: -61.509 tors. eta vs tors. theta energy: -89.950 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: 2, replica: 3 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -1051.067785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.067785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.067785 (E_RNA) where: Base-Base interactions energy: -716.947 where: short stacking energy: -290.952 Base-Backbone interact. energy: -3.276 local terms energy: -330.844639 where: bonds (distance) C4'-P energy: -73.104 bonds (distance) P-C4' energy: -58.179 flat angles C4'-P-C4' energy: -63.767 flat angles P-C4'-P energy: -52.670 tors. eta vs tors. theta energy: -83.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -1015.462537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.462537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.462537 (E_RNA) where: Base-Base interactions energy: -689.771 where: short stacking energy: -292.081 Base-Backbone interact. energy: -1.292 local terms energy: -324.399843 where: bonds (distance) C4'-P energy: -60.856 bonds (distance) P-C4' energy: -64.224 flat angles C4'-P-C4' energy: -69.912 flat angles P-C4'-P energy: -48.130 tors. eta vs tors. theta energy: -81.278 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: 6 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -900.591763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.591763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.591763 (E_RNA) where: Base-Base interactions energy: -613.236 where: short stacking energy: -274.334 Base-Backbone interact. energy: -0.907 local terms energy: -286.449186 where: bonds (distance) C4'-P energy: -62.179 bonds (distance) P-C4' energy: -58.593 flat angles C4'-P-C4' energy: -61.493 flat angles P-C4'-P energy: -37.262 tors. eta vs tors. theta energy: -66.922 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: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -798.521457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.521457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.521457 (E_RNA) where: Base-Base interactions energy: -524.914 where: short stacking energy: -230.528 Base-Backbone interact. energy: -0.195 local terms energy: -273.411546 where: bonds (distance) C4'-P energy: -56.820 bonds (distance) P-C4' energy: -66.964 flat angles C4'-P-C4' energy: -59.245 flat angles P-C4'-P energy: -42.673 tors. eta vs tors. theta energy: -47.709 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: 75 Temperature: 1.150000 Total energy: -685.274998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.274998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.274998 (E_RNA) where: Base-Base interactions energy: -432.078 where: short stacking energy: -198.700 Base-Backbone interact. energy: 1.907 local terms energy: -255.104200 where: bonds (distance) C4'-P energy: -46.084 bonds (distance) P-C4' energy: -64.665 flat angles C4'-P-C4' energy: -66.730 flat angles P-C4'-P energy: -40.048 tors. eta vs tors. theta energy: -37.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -659.983047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.983047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.983047 (E_RNA) where: Base-Base interactions energy: -405.003 where: short stacking energy: -181.818 Base-Backbone interact. energy: -0.270 local terms energy: -254.709825 where: bonds (distance) C4'-P energy: -58.502 bonds (distance) P-C4' energy: -70.830 flat angles C4'-P-C4' energy: -62.062 flat angles P-C4'-P energy: -33.111 tors. eta vs tors. theta energy: -30.204 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: 10 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -582.543683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.543683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.543683 (E_RNA) where: Base-Base interactions energy: -336.978 where: short stacking energy: -161.948 Base-Backbone interact. energy: -5.176 local terms energy: -240.390020 where: bonds (distance) C4'-P energy: -55.592 bonds (distance) P-C4' energy: -63.409 flat angles C4'-P-C4' energy: -51.358 flat angles P-C4'-P energy: -35.686 tors. eta vs tors. theta energy: -34.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -551.279623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.279623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.279623 (E_RNA) where: Base-Base interactions energy: -321.495 where: short stacking energy: -149.788 Base-Backbone interact. energy: -1.507 local terms energy: -228.277404 where: bonds (distance) C4'-P energy: -54.832 bonds (distance) P-C4' energy: -62.626 flat angles C4'-P-C4' energy: -52.630 flat angles P-C4'-P energy: -29.176 tors. eta vs tors. theta energy: -29.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -271.858918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.858918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.858918 (E_RNA) where: Base-Base interactions energy: -92.260 where: short stacking energy: -79.081 Base-Backbone interact. energy: 1.533 local terms energy: -181.132009 where: bonds (distance) C4'-P energy: -49.741 bonds (distance) P-C4' energy: -63.979 flat angles C4'-P-C4' energy: -45.077 flat angles P-C4'-P energy: -28.765 tors. eta vs tors. theta energy: 6.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -1134.566081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.566081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.566081 (E_RNA) where: Base-Base interactions energy: -764.948 where: short stacking energy: -329.333 Base-Backbone interact. energy: -1.667 local terms energy: -367.950816 where: bonds (distance) C4'-P energy: -68.193 bonds (distance) P-C4' energy: -72.264 flat angles C4'-P-C4' energy: -78.134 flat angles P-C4'-P energy: -54.961 tors. eta vs tors. theta energy: -94.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -1072.157593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.157593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.157593 (E_RNA) where: Base-Base interactions energy: -739.164 where: short stacking energy: -299.216 Base-Backbone interact. energy: 0.702 local terms energy: -333.696327 where: bonds (distance) C4'-P energy: -71.458 bonds (distance) P-C4' energy: -64.826 flat angles C4'-P-C4' energy: -66.973 flat angles P-C4'-P energy: -45.944 tors. eta vs tors. theta energy: -84.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -998.033375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.033375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.033375 (E_RNA) where: Base-Base interactions energy: -690.919 where: short stacking energy: -291.996 Base-Backbone interact. energy: -0.933 local terms energy: -306.181455 where: bonds (distance) C4'-P energy: -57.001 bonds (distance) P-C4' energy: -62.975 flat angles C4'-P-C4' energy: -65.492 flat angles P-C4'-P energy: -41.684 tors. eta vs tors. theta energy: -79.028 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: 6 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -896.845722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.845722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.845722 (E_RNA) where: Base-Base interactions energy: -602.811 where: short stacking energy: -243.767 Base-Backbone interact. energy: -1.964 local terms energy: -292.070892 where: bonds (distance) C4'-P energy: -50.619 bonds (distance) P-C4' energy: -66.244 flat angles C4'-P-C4' energy: -68.666 flat angles P-C4'-P energy: -47.568 tors. eta vs tors. theta energy: -58.974 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: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -810.826626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.826626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.826626 (E_RNA) where: Base-Base interactions energy: -541.697 where: short stacking energy: -212.814 Base-Backbone interact. energy: -1.687 local terms energy: -267.442927 where: bonds (distance) C4'-P energy: -57.503 bonds (distance) P-C4' energy: -64.974 flat angles C4'-P-C4' energy: -59.894 flat angles P-C4'-P energy: -41.161 tors. eta vs tors. theta energy: -43.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -686.901899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.901899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.901899 (E_RNA) where: Base-Base interactions energy: -422.368 where: short stacking energy: -214.731 Base-Backbone interact. energy: -1.183 local terms energy: -263.350152 where: bonds (distance) C4'-P energy: -56.970 bonds (distance) P-C4' energy: -59.682 flat angles C4'-P-C4' energy: -60.106 flat angles P-C4'-P energy: -42.219 tors. eta vs tors. theta energy: -44.373 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: 10 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -630.326805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.326805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.326805 (E_RNA) where: Base-Base interactions energy: -382.606 where: short stacking energy: -185.061 Base-Backbone interact. energy: -1.751 local terms energy: -245.970187 where: bonds (distance) C4'-P energy: -63.373 bonds (distance) P-C4' energy: -47.882 flat angles C4'-P-C4' energy: -55.637 flat angles P-C4'-P energy: -37.144 tors. eta vs tors. theta energy: -41.934 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: 8, replica: 5 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -629.055450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.055450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.055450 (E_RNA) where: Base-Base interactions energy: -409.974 where: short stacking energy: -183.634 Base-Backbone interact. energy: -1.977 local terms energy: -217.104030 where: bonds (distance) C4'-P energy: -39.021 bonds (distance) P-C4' energy: -59.776 flat angles C4'-P-C4' energy: -59.136 flat angles P-C4'-P energy: -29.360 tors. eta vs tors. theta energy: -29.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -490.394809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.394809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.394809 (E_RNA) where: Base-Base interactions energy: -291.662 where: short stacking energy: -154.948 Base-Backbone interact. energy: 0.048 local terms energy: -198.780411 where: bonds (distance) C4'-P energy: -51.517 bonds (distance) P-C4' energy: -50.364 flat angles C4'-P-C4' energy: -52.387 flat angles P-C4'-P energy: -28.841 tors. eta vs tors. theta energy: -15.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -294.088661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -294.088661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -294.088661 (E_RNA) where: Base-Base interactions energy: -107.046 where: short stacking energy: -96.717 Base-Backbone interact. energy: 10.811 local terms energy: -197.853035 where: bonds (distance) C4'-P energy: -58.635 bonds (distance) P-C4' energy: -51.105 flat angles C4'-P-C4' energy: -49.831 flat angles P-C4'-P energy: -28.814 tors. eta vs tors. theta energy: -9.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -1141.328789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.328789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.328789 (E_RNA) where: Base-Base interactions energy: -762.969 where: short stacking energy: -326.508 Base-Backbone interact. energy: -0.227 local terms energy: -378.132824 where: bonds (distance) C4'-P energy: -75.998 bonds (distance) P-C4' energy: -69.802 flat angles C4'-P-C4' energy: -77.554 flat angles P-C4'-P energy: -53.132 tors. eta vs tors. theta energy: -101.647 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: 3 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -1086.597090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.597090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.597090 (E_RNA) where: Base-Base interactions energy: -774.986 where: short stacking energy: -320.706 Base-Backbone interact. energy: 0.844 local terms energy: -312.455122 where: bonds (distance) C4'-P energy: -53.265 bonds (distance) P-C4' energy: -62.315 flat angles C4'-P-C4' energy: -66.911 flat angles P-C4'-P energy: -40.907 tors. eta vs tors. theta energy: -89.058 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: 1 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -1009.513250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.513250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.513250 (E_RNA) where: Base-Base interactions energy: -696.011 where: short stacking energy: -287.339 Base-Backbone interact. energy: -2.056 local terms energy: -311.446516 where: bonds (distance) C4'-P energy: -55.640 bonds (distance) P-C4' energy: -51.200 flat angles C4'-P-C4' energy: -69.871 flat angles P-C4'-P energy: -49.186 tors. eta vs tors. theta energy: -85.550 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: 6 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -903.494159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.494159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.494159 (E_RNA) where: Base-Base interactions energy: -614.244 where: short stacking energy: -259.673 Base-Backbone interact. energy: -3.601 local terms energy: -285.649623 where: bonds (distance) C4'-P energy: -58.140 bonds (distance) P-C4' energy: -60.790 flat angles C4'-P-C4' energy: -62.657 flat angles P-C4'-P energy: -34.310 tors. eta vs tors. theta energy: -69.753 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: 2 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -836.704199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.704199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.704199 (E_RNA) where: Base-Base interactions energy: -568.625 where: short stacking energy: -226.144 Base-Backbone interact. energy: -1.269 local terms energy: -266.810169 where: bonds (distance) C4'-P energy: -58.029 bonds (distance) P-C4' energy: -63.124 flat angles C4'-P-C4' energy: -59.135 flat angles P-C4'-P energy: -36.312 tors. eta vs tors. theta energy: -50.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -699.499256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.499256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.499256 (E_RNA) where: Base-Base interactions energy: -442.971 where: short stacking energy: -203.019 Base-Backbone interact. energy: -1.677 local terms energy: -254.851463 where: bonds (distance) C4'-P energy: -57.261 bonds (distance) P-C4' energy: -47.429 flat angles C4'-P-C4' energy: -68.614 flat angles P-C4'-P energy: -44.113 tors. eta vs tors. theta energy: -37.434 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: 10 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -629.129800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.129800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.129800 (E_RNA) where: Base-Base interactions energy: -358.540 where: short stacking energy: -174.009 Base-Backbone interact. energy: -1.759 local terms energy: -268.830376 where: bonds (distance) C4'-P energy: -60.873 bonds (distance) P-C4' energy: -64.094 flat angles C4'-P-C4' energy: -66.000 flat angles P-C4'-P energy: -39.805 tors. eta vs tors. theta energy: -38.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -618.192940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.192940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.192940 (E_RNA) where: Base-Base interactions energy: -373.875 where: short stacking energy: -161.300 Base-Backbone interact. energy: -0.439 local terms energy: -243.879138 where: bonds (distance) C4'-P energy: -53.759 bonds (distance) P-C4' energy: -59.924 flat angles C4'-P-C4' energy: -70.143 flat angles P-C4'-P energy: -39.863 tors. eta vs tors. theta energy: -20.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -509.149475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.149475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.149475 (E_RNA) where: Base-Base interactions energy: -295.257 where: short stacking energy: -145.603 Base-Backbone interact. energy: -2.490 local terms energy: -211.402543 where: bonds (distance) C4'-P energy: -52.926 bonds (distance) P-C4' energy: -57.859 flat angles C4'-P-C4' energy: -48.602 flat angles P-C4'-P energy: -34.741 tors. eta vs tors. theta energy: -17.273 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: 4 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -273.338293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.338293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.338293 (E_RNA) where: Base-Base interactions energy: -112.153 where: short stacking energy: -74.435 Base-Backbone interact. energy: -1.630 local terms energy: -159.555689 where: bonds (distance) C4'-P energy: -47.307 bonds (distance) P-C4' energy: -53.871 flat angles C4'-P-C4' energy: -56.916 flat angles P-C4'-P energy: -18.786 tors. eta vs tors. theta energy: 17.324 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: 8 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -1133.826523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.826523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.826523 (E_RNA) where: Base-Base interactions energy: -780.370 where: short stacking energy: -338.865 Base-Backbone interact. energy: 2.640 local terms energy: -356.096616 where: bonds (distance) C4'-P energy: -69.892 bonds (distance) P-C4' energy: -63.497 flat angles C4'-P-C4' energy: -76.156 flat angles P-C4'-P energy: -49.994 tors. eta vs tors. theta energy: -96.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 78 Temperature: 0.950000 Total energy: -1052.667655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.667655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.667655 (E_RNA) where: Base-Base interactions energy: -706.822 where: short stacking energy: -296.563 Base-Backbone interact. energy: -2.205 local terms energy: -343.640573 where: bonds (distance) C4'-P energy: -66.656 bonds (distance) P-C4' energy: -72.564 flat angles C4'-P-C4' energy: -71.596 flat angles P-C4'-P energy: -47.871 tors. eta vs tors. theta energy: -84.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -990.567451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.567451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.567451 (E_RNA) where: Base-Base interactions energy: -661.610 where: short stacking energy: -278.291 Base-Backbone interact. energy: -2.458 local terms energy: -326.499753 where: bonds (distance) C4'-P energy: -64.298 bonds (distance) P-C4' energy: -66.818 flat angles C4'-P-C4' energy: -72.350 flat angles P-C4'-P energy: -46.974 tors. eta vs tors. theta energy: -76.060 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: 6 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -877.536836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.536836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.536836 (E_RNA) where: Base-Base interactions energy: -603.932 where: short stacking energy: -233.772 Base-Backbone interact. energy: 7.054 local terms energy: -280.657916 where: bonds (distance) C4'-P energy: -58.915 bonds (distance) P-C4' energy: -63.481 flat angles C4'-P-C4' energy: -58.613 flat angles P-C4'-P energy: -47.105 tors. eta vs tors. theta energy: -52.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -825.735182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.735182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.735182 (E_RNA) where: Base-Base interactions energy: -540.987 where: short stacking energy: -216.250 Base-Backbone interact. energy: -2.200 local terms energy: -282.547637 where: bonds (distance) C4'-P energy: -59.988 bonds (distance) P-C4' energy: -64.707 flat angles C4'-P-C4' energy: -62.797 flat angles P-C4'-P energy: -37.223 tors. eta vs tors. theta energy: -57.833 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: 9 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -737.627272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.627272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.627272 (E_RNA) where: Base-Base interactions energy: -486.371 where: short stacking energy: -250.916 Base-Backbone interact. energy: 2.649 local terms energy: -253.904867 where: bonds (distance) C4'-P energy: -53.462 bonds (distance) P-C4' energy: -61.999 flat angles C4'-P-C4' energy: -56.264 flat angles P-C4'-P energy: -30.284 tors. eta vs tors. theta energy: -51.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -678.913958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.913958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.913958 (E_RNA) where: Base-Base interactions energy: -428.431 where: short stacking energy: -200.242 Base-Backbone interact. energy: 5.446 local terms energy: -255.929261 where: bonds (distance) C4'-P energy: -68.436 bonds (distance) P-C4' energy: -57.833 flat angles C4'-P-C4' energy: -54.858 flat angles P-C4'-P energy: -33.876 tors. eta vs tors. theta energy: -40.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -547.872885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.872885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.872885 (E_RNA) where: Base-Base interactions energy: -332.952 where: short stacking energy: -141.852 Base-Backbone interact. energy: -0.846 local terms energy: -214.074954 where: bonds (distance) C4'-P energy: -53.423 bonds (distance) P-C4' energy: -52.394 flat angles C4'-P-C4' energy: -58.289 flat angles P-C4'-P energy: -37.708 tors. eta vs tors. theta energy: -12.260 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: 9, replica: 7 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -536.380065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.380065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.380065 (E_RNA) where: Base-Base interactions energy: -308.976 where: short stacking energy: -153.503 Base-Backbone interact. energy: -3.139 local terms energy: -224.264730 where: bonds (distance) C4'-P energy: -50.857 bonds (distance) P-C4' energy: -70.947 flat angles C4'-P-C4' energy: -47.581 flat angles P-C4'-P energy: -39.514 tors. eta vs tors. theta energy: -15.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -295.313966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.313966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.313966 (E_RNA) where: Base-Base interactions energy: -129.938 where: short stacking energy: -81.996 Base-Backbone interact. energy: -1.533 local terms energy: -163.843004 where: bonds (distance) C4'-P energy: -53.539 bonds (distance) P-C4' energy: -50.041 flat angles C4'-P-C4' energy: -44.569 flat angles P-C4'-P energy: -25.028 tors. eta vs tors. theta energy: 9.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -1136.285557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.285557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.285557 (E_RNA) where: Base-Base interactions energy: -782.510 where: short stacking energy: -322.334 Base-Backbone interact. energy: -0.112 local terms energy: -353.663271 where: bonds (distance) C4'-P energy: -65.668 bonds (distance) P-C4' energy: -64.559 flat angles C4'-P-C4' energy: -72.073 flat angles P-C4'-P energy: -51.430 tors. eta vs tors. theta energy: -99.933 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: 2, replica: 3 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -1048.368993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.368993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.368993 (E_RNA) where: Base-Base interactions energy: -720.232 where: short stacking energy: -298.924 Base-Backbone interact. energy: -3.043 local terms energy: -325.093507 where: bonds (distance) C4'-P energy: -57.573 bonds (distance) P-C4' energy: -64.939 flat angles C4'-P-C4' energy: -68.946 flat angles P-C4'-P energy: -48.617 tors. eta vs tors. theta energy: -85.018 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: 1 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -1008.011224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.011224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.011224 (E_RNA) where: Base-Base interactions energy: -696.227 where: short stacking energy: -284.646 Base-Backbone interact. energy: 5.368 local terms energy: -317.152210 where: bonds (distance) C4'-P energy: -64.617 bonds (distance) P-C4' energy: -56.645 flat angles C4'-P-C4' energy: -73.839 flat angles P-C4'-P energy: -52.196 tors. eta vs tors. theta energy: -69.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -862.511879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.511879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.511879 (E_RNA) where: Base-Base interactions energy: -572.120 where: short stacking energy: -243.460 Base-Backbone interact. energy: -3.234 local terms energy: -287.157637 where: bonds (distance) C4'-P energy: -55.076 bonds (distance) P-C4' energy: -63.698 flat angles C4'-P-C4' energy: -62.500 flat angles P-C4'-P energy: -45.676 tors. eta vs tors. theta energy: -60.209 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: 2 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -834.264625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.264625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.264625 (E_RNA) where: Base-Base interactions energy: -552.192 where: short stacking energy: -226.322 Base-Backbone interact. energy: -2.159 local terms energy: -279.913554 where: bonds (distance) C4'-P energy: -57.086 bonds (distance) P-C4' energy: -61.949 flat angles C4'-P-C4' energy: -61.254 flat angles P-C4'-P energy: -43.537 tors. eta vs tors. theta energy: -56.088 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: 10 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -673.596531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.596531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.596531 (E_RNA) where: Base-Base interactions energy: -429.192 where: short stacking energy: -181.089 Base-Backbone interact. energy: 1.685 local terms energy: -246.089740 where: bonds (distance) C4'-P energy: -61.833 bonds (distance) P-C4' energy: -70.145 flat angles C4'-P-C4' energy: -47.796 flat angles P-C4'-P energy: -36.081 tors. eta vs tors. theta energy: -30.234 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: 9 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -706.645750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.645750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.645750 (E_RNA) where: Base-Base interactions energy: -462.576 where: short stacking energy: -191.577 Base-Backbone interact. energy: -2.053 local terms energy: -242.016619 where: bonds (distance) C4'-P energy: -56.058 bonds (distance) P-C4' energy: -61.552 flat angles C4'-P-C4' energy: -58.936 flat angles P-C4'-P energy: -27.221 tors. eta vs tors. theta energy: -38.251 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: 7 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -540.007064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.007064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.007064 (E_RNA) where: Base-Base interactions energy: -338.655 where: short stacking energy: -177.192 Base-Backbone interact. energy: 2.127 local terms energy: -203.479249 where: bonds (distance) C4'-P energy: -41.132 bonds (distance) P-C4' energy: -56.412 flat angles C4'-P-C4' energy: -50.363 flat angles P-C4'-P energy: -33.703 tors. eta vs tors. theta energy: -21.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -578.254778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.254778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.254778 (E_RNA) where: Base-Base interactions energy: -351.815 where: short stacking energy: -156.392 Base-Backbone interact. energy: -1.221 local terms energy: -225.218469 where: bonds (distance) C4'-P energy: -53.929 bonds (distance) P-C4' energy: -54.813 flat angles C4'-P-C4' energy: -51.816 flat angles P-C4'-P energy: -42.886 tors. eta vs tors. theta energy: -21.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -365.300034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -365.300034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -365.300034 (E_RNA) where: Base-Base interactions energy: -184.393 where: short stacking energy: -109.891 Base-Backbone interact. energy: -1.109 local terms energy: -179.798197 where: bonds (distance) C4'-P energy: -53.978 bonds (distance) P-C4' energy: -58.169 flat angles C4'-P-C4' energy: -42.640 flat angles P-C4'-P energy: -15.257 tors. eta vs tors. theta energy: -9.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -1118.612148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.612148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.612148 (E_RNA) where: Base-Base interactions energy: -764.411 where: short stacking energy: -306.366 Base-Backbone interact. energy: 3.628 local terms energy: -357.829244 where: bonds (distance) C4'-P energy: -65.806 bonds (distance) P-C4' energy: -72.277 flat angles C4'-P-C4' energy: -68.895 flat angles P-C4'-P energy: -49.466 tors. eta vs tors. theta energy: -101.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -1062.286607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.286607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.286607 (E_RNA) where: Base-Base interactions energy: -720.555 where: short stacking energy: -291.127 Base-Backbone interact. energy: -2.069 local terms energy: -339.662822 where: bonds (distance) C4'-P energy: -68.214 bonds (distance) P-C4' energy: -71.300 flat angles C4'-P-C4' energy: -71.714 flat angles P-C4'-P energy: -44.911 tors. eta vs tors. theta energy: -83.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -995.978885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.978885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.978885 (E_RNA) where: Base-Base interactions energy: -675.177 where: short stacking energy: -291.072 Base-Backbone interact. energy: -2.828 local terms energy: -317.974536 where: bonds (distance) C4'-P energy: -63.447 bonds (distance) P-C4' energy: -58.420 flat angles C4'-P-C4' energy: -75.522 flat angles P-C4'-P energy: -42.663 tors. eta vs tors. theta energy: -77.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -874.691986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.691986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.691986 (E_RNA) where: Base-Base interactions energy: -565.696 where: short stacking energy: -252.991 Base-Backbone interact. energy: -0.724 local terms energy: -308.272257 where: bonds (distance) C4'-P energy: -61.094 bonds (distance) P-C4' energy: -63.692 flat angles C4'-P-C4' energy: -68.768 flat angles P-C4'-P energy: -52.778 tors. eta vs tors. theta energy: -61.940 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: 2 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -845.419109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.419109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.419109 (E_RNA) where: Base-Base interactions energy: -563.692 where: short stacking energy: -233.436 Base-Backbone interact. energy: 0.353 local terms energy: -282.079668 where: bonds (distance) C4'-P energy: -64.532 bonds (distance) P-C4' energy: -58.581 flat angles C4'-P-C4' energy: -59.757 flat angles P-C4'-P energy: -40.727 tors. eta vs tors. theta energy: -58.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -673.709449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.709449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.709449 (E_RNA) where: Base-Base interactions energy: -407.420 where: short stacking energy: -191.732 Base-Backbone interact. energy: -0.478 local terms energy: -265.811408 where: bonds (distance) C4'-P energy: -56.400 bonds (distance) P-C4' energy: -59.839 flat angles C4'-P-C4' energy: -67.982 flat angles P-C4'-P energy: -41.458 tors. eta vs tors. theta energy: -40.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -699.088645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.088645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.088645 (E_RNA) where: Base-Base interactions energy: -443.168 where: short stacking energy: -194.436 Base-Backbone interact. energy: -2.254 local terms energy: -253.666129 where: bonds (distance) C4'-P energy: -60.914 bonds (distance) P-C4' energy: -61.206 flat angles C4'-P-C4' energy: -45.236 flat angles P-C4'-P energy: -44.152 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: 8, replica: 7 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -547.458201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.458201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.458201 (E_RNA) where: Base-Base interactions energy: -341.566 where: short stacking energy: -185.533 Base-Backbone interact. energy: -0.817 local terms energy: -205.075159 where: bonds (distance) C4'-P energy: -40.388 bonds (distance) P-C4' energy: -50.493 flat angles C4'-P-C4' energy: -50.762 flat angles P-C4'-P energy: -30.870 tors. eta vs tors. theta energy: -32.562 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: 5 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -574.024106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.024106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.024106 (E_RNA) where: Base-Base interactions energy: -361.852 where: short stacking energy: -151.055 Base-Backbone interact. energy: -0.570 local terms energy: -211.602100 where: bonds (distance) C4'-P energy: -55.919 bonds (distance) P-C4' energy: -63.093 flat angles C4'-P-C4' energy: -47.964 flat angles P-C4'-P energy: -27.188 tors. eta vs tors. theta energy: -17.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -389.997527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.997527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.997527 (E_RNA) where: Base-Base interactions energy: -187.509 where: short stacking energy: -119.339 Base-Backbone interact. energy: 1.799 local terms energy: -204.287854 where: bonds (distance) C4'-P energy: -59.927 bonds (distance) P-C4' energy: -51.288 flat angles C4'-P-C4' energy: -59.204 flat angles P-C4'-P energy: -18.263 tors. eta vs tors. theta energy: -15.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -1126.519515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.519515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.519515 (E_RNA) where: Base-Base interactions energy: -782.999 where: short stacking energy: -333.864 Base-Backbone interact. energy: 2.852 local terms energy: -346.371780 where: bonds (distance) C4'-P energy: -63.548 bonds (distance) P-C4' energy: -69.959 flat angles C4'-P-C4' energy: -74.919 flat angles P-C4'-P energy: -47.662 tors. eta vs tors. theta energy: -90.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -1059.302180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.302180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.302180 (E_RNA) where: Base-Base interactions energy: -732.846 where: short stacking energy: -289.557 Base-Backbone interact. energy: -1.553 local terms energy: -324.902346 where: bonds (distance) C4'-P energy: -57.323 bonds (distance) P-C4' energy: -64.769 flat angles C4'-P-C4' energy: -77.168 flat angles P-C4'-P energy: -40.550 tors. eta vs tors. theta energy: -85.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -976.413062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.413062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.413062 (E_RNA) where: Base-Base interactions energy: -647.389 where: short stacking energy: -262.097 Base-Backbone interact. energy: -1.615 local terms energy: -327.409149 where: bonds (distance) C4'-P energy: -65.560 bonds (distance) P-C4' energy: -73.904 flat angles C4'-P-C4' energy: -67.120 flat angles P-C4'-P energy: -46.618 tors. eta vs tors. theta energy: -74.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -866.251458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.251458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.251458 (E_RNA) where: Base-Base interactions energy: -562.032 where: short stacking energy: -261.087 Base-Backbone interact. energy: -2.292 local terms energy: -301.927519 where: bonds (distance) C4'-P energy: -55.574 bonds (distance) P-C4' energy: -60.329 flat angles C4'-P-C4' energy: -64.083 flat angles P-C4'-P energy: -48.132 tors. eta vs tors. theta energy: -73.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -837.270044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.270044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.270044 (E_RNA) where: Base-Base interactions energy: -544.490 where: short stacking energy: -220.933 Base-Backbone interact. energy: -3.105 local terms energy: -289.675480 where: bonds (distance) C4'-P energy: -65.201 bonds (distance) P-C4' energy: -69.191 flat angles C4'-P-C4' energy: -66.483 flat angles P-C4'-P energy: -36.861 tors. eta vs tors. theta energy: -51.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -748.310218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.310218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.310218 (E_RNA) where: Base-Base interactions energy: -485.822 where: short stacking energy: -224.482 Base-Backbone interact. energy: -1.915 local terms energy: -260.574186 where: bonds (distance) C4'-P energy: -61.906 bonds (distance) P-C4' energy: -60.317 flat angles C4'-P-C4' energy: -56.633 flat angles P-C4'-P energy: -31.661 tors. eta vs tors. theta energy: -50.057 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: 7, replica: 10 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -637.094971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.094971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.094971 (E_RNA) where: Base-Base interactions energy: -391.275 where: short stacking energy: -175.415 Base-Backbone interact. energy: -2.247 local terms energy: -243.573075 where: bonds (distance) C4'-P energy: -61.256 bonds (distance) P-C4' energy: -60.660 flat angles C4'-P-C4' energy: -66.775 flat angles P-C4'-P energy: -28.965 tors. eta vs tors. theta energy: -25.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -647.078012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.078012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.078012 (E_RNA) where: Base-Base interactions energy: -424.180 where: short stacking energy: -197.024 Base-Backbone interact. energy: 4.903 local terms energy: -227.800670 where: bonds (distance) C4'-P energy: -45.994 bonds (distance) P-C4' energy: -53.352 flat angles C4'-P-C4' energy: -42.351 flat angles P-C4'-P energy: -51.618 tors. eta vs tors. theta energy: -34.486 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: 7 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -546.619423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.619423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.619423 (E_RNA) where: Base-Base interactions energy: -341.816 where: short stacking energy: -162.968 Base-Backbone interact. energy: 7.985 local terms energy: -212.787838 where: bonds (distance) C4'-P energy: -54.002 bonds (distance) P-C4' energy: -54.924 flat angles C4'-P-C4' energy: -54.533 flat angles P-C4'-P energy: -26.674 tors. eta vs tors. theta energy: -22.655 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: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -302.348154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.348154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.348154 (E_RNA) where: Base-Base interactions energy: -106.696 where: short stacking energy: -74.912 Base-Backbone interact. energy: -1.010 local terms energy: -194.642306 where: bonds (distance) C4'-P energy: -59.927 bonds (distance) P-C4' energy: -54.311 flat angles C4'-P-C4' energy: -51.878 flat angles P-C4'-P energy: -26.264 tors. eta vs tors. theta energy: -2.263 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: 8 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -1143.423831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.423831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.423831 (E_RNA) where: Base-Base interactions energy: -796.080 where: short stacking energy: -332.508 Base-Backbone interact. energy: -1.403 local terms energy: -345.940681 where: bonds (distance) C4'-P energy: -65.784 bonds (distance) P-C4' energy: -57.253 flat angles C4'-P-C4' energy: -69.120 flat angles P-C4'-P energy: -52.852 tors. eta vs tors. theta energy: -100.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -1057.189132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.189132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.189132 (E_RNA) where: Base-Base interactions energy: -728.865 where: short stacking energy: -294.591 Base-Backbone interact. energy: -0.548 local terms energy: -327.775737 where: bonds (distance) C4'-P energy: -59.410 bonds (distance) P-C4' energy: -70.709 flat angles C4'-P-C4' energy: -69.715 flat angles P-C4'-P energy: -46.539 tors. eta vs tors. theta energy: -81.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -976.203168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.203168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.203168 (E_RNA) where: Base-Base interactions energy: -662.576 where: short stacking energy: -281.337 Base-Backbone interact. energy: -0.667 local terms energy: -312.959584 where: bonds (distance) C4'-P energy: -62.969 bonds (distance) P-C4' energy: -65.145 flat angles C4'-P-C4' energy: -63.558 flat angles P-C4'-P energy: -51.355 tors. eta vs tors. theta energy: -69.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -870.696160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.696160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.696160 (E_RNA) where: Base-Base interactions energy: -582.116 where: short stacking energy: -238.532 Base-Backbone interact. energy: -1.965 local terms energy: -286.614624 where: bonds (distance) C4'-P energy: -72.187 bonds (distance) P-C4' energy: -67.301 flat angles C4'-P-C4' energy: -61.072 flat angles P-C4'-P energy: -37.888 tors. eta vs tors. theta energy: -48.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -851.454993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.454993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.454993 (E_RNA) where: Base-Base interactions energy: -563.951 where: short stacking energy: -230.590 Base-Backbone interact. energy: -3.691 local terms energy: -283.813187 where: bonds (distance) C4'-P energy: -58.720 bonds (distance) P-C4' energy: -71.965 flat angles C4'-P-C4' energy: -56.925 flat angles P-C4'-P energy: -30.212 tors. eta vs tors. theta energy: -65.992 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: 6, replica: 9 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -759.007283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.007283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.007283 (E_RNA) where: Base-Base interactions energy: -486.035 where: short stacking energy: -213.668 Base-Backbone interact. energy: -1.769 local terms energy: -271.203648 where: bonds (distance) C4'-P energy: -58.027 bonds (distance) P-C4' energy: -56.141 flat angles C4'-P-C4' energy: -61.304 flat angles P-C4'-P energy: -38.528 tors. eta vs tors. theta energy: -57.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -664.193071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.193071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.193071 (E_RNA) where: Base-Base interactions energy: -427.114 where: short stacking energy: -193.255 Base-Backbone interact. energy: -0.349 local terms energy: -236.730473 where: bonds (distance) C4'-P energy: -49.123 bonds (distance) P-C4' energy: -57.972 flat angles C4'-P-C4' energy: -49.321 flat angles P-C4'-P energy: -39.807 tors. eta vs tors. theta energy: -40.507 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: 82 Temperature: 1.250000 Total energy: -579.649599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.649599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.649599 (E_RNA) where: Base-Base interactions energy: -350.554 where: short stacking energy: -164.996 Base-Backbone interact. energy: -1.445 local terms energy: -227.651142 where: bonds (distance) C4'-P energy: -41.061 bonds (distance) P-C4' energy: -59.904 flat angles C4'-P-C4' energy: -63.929 flat angles P-C4'-P energy: -28.079 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: 9, replica: 7 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -551.422300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.422300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.422300 (E_RNA) where: Base-Base interactions energy: -318.583 where: short stacking energy: -159.031 Base-Backbone interact. energy: 0.977 local terms energy: -233.816226 where: bonds (distance) C4'-P energy: -50.956 bonds (distance) P-C4' energy: -57.792 flat angles C4'-P-C4' energy: -53.059 flat angles P-C4'-P energy: -41.481 tors. eta vs tors. theta energy: -30.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -276.492334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.492334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.492334 (E_RNA) where: Base-Base interactions energy: -108.148 where: short stacking energy: -77.274 Base-Backbone interact. energy: 3.431 local terms energy: -171.774910 where: bonds (distance) C4'-P energy: -53.995 bonds (distance) P-C4' energy: -48.407 flat angles C4'-P-C4' energy: -45.622 flat angles P-C4'-P energy: -32.503 tors. eta vs tors. theta energy: 8.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -1168.365068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.365068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.365068 (E_RNA) where: Base-Base interactions energy: -818.676 where: short stacking energy: -357.088 Base-Backbone interact. energy: 0.644 local terms energy: -350.332260 where: bonds (distance) C4'-P energy: -64.141 bonds (distance) P-C4' energy: -63.311 flat angles C4'-P-C4' energy: -74.463 flat angles P-C4'-P energy: -47.387 tors. eta vs tors. theta energy: -101.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -1040.401296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.401296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.401296 (E_RNA) where: Base-Base interactions energy: -707.686 where: short stacking energy: -292.367 Base-Backbone interact. energy: -4.052 local terms energy: -328.663332 where: bonds (distance) C4'-P energy: -63.817 bonds (distance) P-C4' energy: -67.704 flat angles C4'-P-C4' energy: -70.637 flat angles P-C4'-P energy: -49.408 tors. eta vs tors. theta energy: -77.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -986.499458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.499458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.499458 (E_RNA) where: Base-Base interactions energy: -643.092 where: short stacking energy: -284.451 Base-Backbone interact. energy: -4.346 local terms energy: -339.061549 where: bonds (distance) C4'-P energy: -62.452 bonds (distance) P-C4' energy: -64.088 flat angles C4'-P-C4' energy: -74.831 flat angles P-C4'-P energy: -52.460 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: 4, replica: 2 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -866.935164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.935164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.935164 (E_RNA) where: Base-Base interactions energy: -583.189 where: short stacking energy: -226.781 Base-Backbone interact. energy: -4.127 local terms energy: -279.618763 where: bonds (distance) C4'-P energy: -63.713 bonds (distance) P-C4' energy: -70.210 flat angles C4'-P-C4' energy: -51.851 flat angles P-C4'-P energy: -37.656 tors. eta vs tors. theta energy: -56.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -834.049955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.049955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.049955 (E_RNA) where: Base-Base interactions energy: -562.663 where: short stacking energy: -229.546 Base-Backbone interact. energy: -1.180 local terms energy: -270.207253 where: bonds (distance) C4'-P energy: -60.969 bonds (distance) P-C4' energy: -53.542 flat angles C4'-P-C4' energy: -62.427 flat angles P-C4'-P energy: -32.604 tors. eta vs tors. theta energy: -60.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -768.892498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.892498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.892498 (E_RNA) where: Base-Base interactions energy: -493.354 where: short stacking energy: -235.896 Base-Backbone interact. energy: -1.353 local terms energy: -274.185492 where: bonds (distance) C4'-P energy: -53.667 bonds (distance) P-C4' energy: -53.292 flat angles C4'-P-C4' energy: -70.218 flat angles P-C4'-P energy: -41.084 tors. eta vs tors. theta energy: -55.925 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: 7, replica: 5 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -661.864704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.864704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.864704 (E_RNA) where: Base-Base interactions energy: -437.078 where: short stacking energy: -193.486 Base-Backbone interact. energy: -1.619 local terms energy: -223.167224 where: bonds (distance) C4'-P energy: -47.998 bonds (distance) P-C4' energy: -55.988 flat angles C4'-P-C4' energy: -63.587 flat angles P-C4'-P energy: -25.069 tors. eta vs tors. theta energy: -30.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -563.949161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.949161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.949161 (E_RNA) where: Base-Base interactions energy: -342.007 where: short stacking energy: -152.836 Base-Backbone interact. energy: 1.467 local terms energy: -223.409708 where: bonds (distance) C4'-P energy: -55.073 bonds (distance) P-C4' energy: -68.727 flat angles C4'-P-C4' energy: -51.587 flat angles P-C4'-P energy: -28.807 tors. eta vs tors. theta energy: -19.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -494.268618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.268618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.268618 (E_RNA) where: Base-Base interactions energy: -271.912 where: short stacking energy: -157.670 Base-Backbone interact. energy: -1.896 local terms energy: -220.461171 where: bonds (distance) C4'-P energy: -52.637 bonds (distance) P-C4' energy: -59.563 flat angles C4'-P-C4' energy: -51.877 flat angles P-C4'-P energy: -28.865 tors. eta vs tors. theta energy: -27.519 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: 4 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -308.808727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.808727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.808727 (E_RNA) where: Base-Base interactions energy: -106.080 where: short stacking energy: -77.782 Base-Backbone interact. energy: 0.151 local terms energy: -202.879669 where: bonds (distance) C4'-P energy: -64.671 bonds (distance) P-C4' energy: -60.497 flat angles C4'-P-C4' energy: -46.867 flat angles P-C4'-P energy: -35.634 tors. eta vs tors. theta energy: 4.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -1149.972169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.972169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.972169 (E_RNA) where: Base-Base interactions energy: -801.311 where: short stacking energy: -352.859 Base-Backbone interact. energy: 1.869 local terms energy: -350.530040 where: bonds (distance) C4'-P energy: -63.337 bonds (distance) P-C4' energy: -68.144 flat angles C4'-P-C4' energy: -78.205 flat angles P-C4'-P energy: -41.173 tors. eta vs tors. theta energy: -99.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -1064.149775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.149775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.149775 (E_RNA) where: Base-Base interactions energy: -725.941 where: short stacking energy: -294.869 Base-Backbone interact. energy: -1.912 local terms energy: -336.296876 where: bonds (distance) C4'-P energy: -67.840 bonds (distance) P-C4' energy: -67.989 flat angles C4'-P-C4' energy: -73.537 flat angles P-C4'-P energy: -41.640 tors. eta vs tors. theta energy: -85.290 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: 1 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -951.344853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.344853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.344853 (E_RNA) where: Base-Base interactions energy: -638.646 where: short stacking energy: -277.908 Base-Backbone interact. energy: -2.023 local terms energy: -310.675713 where: bonds (distance) C4'-P energy: -64.435 bonds (distance) P-C4' energy: -56.155 flat angles C4'-P-C4' energy: -71.073 flat angles P-C4'-P energy: -49.213 tors. eta vs tors. theta energy: -69.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -870.325186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.325186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.325186 (E_RNA) where: Base-Base interactions energy: -582.773 where: short stacking energy: -238.555 Base-Backbone interact. energy: -2.497 local terms energy: -285.055126 where: bonds (distance) C4'-P energy: -50.455 bonds (distance) P-C4' energy: -62.599 flat angles C4'-P-C4' energy: -66.062 flat angles P-C4'-P energy: -43.375 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: 5, replica: 6 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -854.449274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.449274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.449274 (E_RNA) where: Base-Base interactions energy: -571.412 where: short stacking energy: -262.773 Base-Backbone interact. energy: -1.088 local terms energy: -281.949104 where: bonds (distance) C4'-P energy: -67.524 bonds (distance) P-C4' energy: -51.773 flat angles C4'-P-C4' energy: -57.950 flat angles P-C4'-P energy: -36.748 tors. eta vs tors. theta energy: -67.953 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: 9 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -753.561056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.561056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.561056 (E_RNA) where: Base-Base interactions energy: -504.408 where: short stacking energy: -206.240 Base-Backbone interact. energy: 2.880 local terms energy: -252.033381 where: bonds (distance) C4'-P energy: -53.035 bonds (distance) P-C4' energy: -60.823 flat angles C4'-P-C4' energy: -52.638 flat angles P-C4'-P energy: -40.143 tors. eta vs tors. theta energy: -45.395 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: 5 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -666.826369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.826369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.826369 (E_RNA) where: Base-Base interactions energy: -430.836 where: short stacking energy: -187.873 Base-Backbone interact. energy: -2.918 local terms energy: -233.072073 where: bonds (distance) C4'-P energy: -64.039 bonds (distance) P-C4' energy: -55.626 flat angles C4'-P-C4' energy: -53.062 flat angles P-C4'-P energy: -33.446 tors. eta vs tors. theta energy: -26.898 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: 84 Temperature: 1.250000 Total energy: -524.705941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.705941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.705941 (E_RNA) where: Base-Base interactions energy: -306.589 where: short stacking energy: -151.119 Base-Backbone interact. energy: -1.169 local terms energy: -216.947816 where: bonds (distance) C4'-P energy: -43.258 bonds (distance) P-C4' energy: -54.025 flat angles C4'-P-C4' energy: -61.326 flat angles P-C4'-P energy: -30.210 tors. eta vs tors. theta energy: -28.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -428.136934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.136934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.136934 (E_RNA) where: Base-Base interactions energy: -216.849 where: short stacking energy: -114.968 Base-Backbone interact. energy: -1.883 local terms energy: -209.405412 where: bonds (distance) C4'-P energy: -51.680 bonds (distance) P-C4' energy: -56.313 flat angles C4'-P-C4' energy: -61.577 flat angles P-C4'-P energy: -34.407 tors. eta vs tors. theta energy: -5.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -281.487996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.487996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.487996 (E_RNA) where: Base-Base interactions energy: -110.470 where: short stacking energy: -87.433 Base-Backbone interact. energy: 0.679 local terms energy: -171.697752 where: bonds (distance) C4'-P energy: -48.437 bonds (distance) P-C4' energy: -47.148 flat angles C4'-P-C4' energy: -48.502 flat angles P-C4'-P energy: -32.588 tors. eta vs tors. theta energy: 4.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -1128.956067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.956067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.956067 (E_RNA) where: Base-Base interactions energy: -768.663 where: short stacking energy: -340.887 Base-Backbone interact. energy: -4.220 local terms energy: -356.073287 where: bonds (distance) C4'-P energy: -71.091 bonds (distance) P-C4' energy: -63.989 flat angles C4'-P-C4' energy: -76.642 flat angles P-C4'-P energy: -50.006 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: 2, replica: 3 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -1068.766218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.766218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.766218 (E_RNA) where: Base-Base interactions energy: -740.502 where: short stacking energy: -299.818 Base-Backbone interact. energy: -0.066 local terms energy: -328.197928 where: bonds (distance) C4'-P energy: -63.665 bonds (distance) P-C4' energy: -64.202 flat angles C4'-P-C4' energy: -61.549 flat angles P-C4'-P energy: -54.541 tors. eta vs tors. theta energy: -84.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -1002.106500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.106500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.106500 (E_RNA) where: Base-Base interactions energy: -689.669 where: short stacking energy: -290.016 Base-Backbone interact. energy: -2.515 local terms energy: -309.923162 where: bonds (distance) C4'-P energy: -53.133 bonds (distance) P-C4' energy: -64.889 flat angles C4'-P-C4' energy: -67.126 flat angles P-C4'-P energy: -50.525 tors. eta vs tors. theta energy: -74.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -848.294580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.294580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.294580 (E_RNA) where: Base-Base interactions energy: -567.368 where: short stacking energy: -226.899 Base-Backbone interact. energy: -3.803 local terms energy: -277.123620 where: bonds (distance) C4'-P energy: -58.452 bonds (distance) P-C4' energy: -62.464 flat angles C4'-P-C4' energy: -57.844 flat angles P-C4'-P energy: -45.458 tors. eta vs tors. theta energy: -52.905 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: 5, replica: 6 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -845.048817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.048817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.048817 (E_RNA) where: Base-Base interactions energy: -571.695 where: short stacking energy: -225.487 Base-Backbone interact. energy: -0.952 local terms energy: -272.402014 where: bonds (distance) C4'-P energy: -58.443 bonds (distance) P-C4' energy: -59.789 flat angles C4'-P-C4' energy: -60.498 flat angles P-C4'-P energy: -40.883 tors. eta vs tors. theta energy: -52.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -743.263521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.263521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.263521 (E_RNA) where: Base-Base interactions energy: -476.245 where: short stacking energy: -208.243 Base-Backbone interact. energy: -0.851 local terms energy: -266.167450 where: bonds (distance) C4'-P energy: -56.533 bonds (distance) P-C4' energy: -61.043 flat angles C4'-P-C4' energy: -66.654 flat angles P-C4'-P energy: -40.857 tors. eta vs tors. theta energy: -41.080 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: 5 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -676.250809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.250809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.250809 (E_RNA) where: Base-Base interactions energy: -424.753 where: short stacking energy: -176.365 Base-Backbone interact. energy: 0.752 local terms energy: -252.249758 where: bonds (distance) C4'-P energy: -49.713 bonds (distance) P-C4' energy: -63.820 flat angles C4'-P-C4' energy: -71.909 flat angles P-C4'-P energy: -37.673 tors. eta vs tors. theta energy: -29.135 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: 10 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -548.178071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.178071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.178071 (E_RNA) where: Base-Base interactions energy: -318.045 where: short stacking energy: -142.508 Base-Backbone interact. energy: 0.156 local terms energy: -230.289417 where: bonds (distance) C4'-P energy: -55.503 bonds (distance) P-C4' energy: -64.121 flat angles C4'-P-C4' energy: -45.771 flat angles P-C4'-P energy: -34.726 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: 9, replica: 7 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -398.843126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.843126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.843126 (E_RNA) where: Base-Base interactions energy: -185.739 where: short stacking energy: -121.894 Base-Backbone interact. energy: -2.027 local terms energy: -211.077113 where: bonds (distance) C4'-P energy: -54.996 bonds (distance) P-C4' energy: -60.521 flat angles C4'-P-C4' energy: -55.705 flat angles P-C4'-P energy: -29.817 tors. eta vs tors. theta energy: -10.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -278.368086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.368086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.368086 (E_RNA) where: Base-Base interactions energy: -86.674 where: short stacking energy: -81.613 Base-Backbone interact. energy: -0.846 local terms energy: -190.848104 where: bonds (distance) C4'-P energy: -58.564 bonds (distance) P-C4' energy: -56.967 flat angles C4'-P-C4' energy: -44.403 flat angles P-C4'-P energy: -32.287 tors. eta vs tors. theta energy: 1.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -1131.783146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.783146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.783146 (E_RNA) where: Base-Base interactions energy: -765.872 where: short stacking energy: -341.750 Base-Backbone interact. energy: -1.299 local terms energy: -364.611831 where: bonds (distance) C4'-P energy: -64.395 bonds (distance) P-C4' energy: -61.645 flat angles C4'-P-C4' energy: -83.163 flat angles P-C4'-P energy: -52.741 tors. eta vs tors. theta energy: -102.667 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: 3 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -1064.175165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.175165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.175165 (E_RNA) where: Base-Base interactions energy: -731.910 where: short stacking energy: -304.226 Base-Backbone interact. energy: -0.696 local terms energy: -331.568386 where: bonds (distance) C4'-P energy: -63.162 bonds (distance) P-C4' energy: -73.525 flat angles C4'-P-C4' energy: -68.857 flat angles P-C4'-P energy: -46.151 tors. eta vs tors. theta energy: -79.874 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: 3, replica: 1 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -1022.290524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.290524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.290524 (E_RNA) where: Base-Base interactions energy: -710.609 where: short stacking energy: -301.355 Base-Backbone interact. energy: -0.776 local terms energy: -310.905648 where: bonds (distance) C4'-P energy: -57.270 bonds (distance) P-C4' energy: -61.845 flat angles C4'-P-C4' energy: -65.052 flat angles P-C4'-P energy: -44.064 tors. eta vs tors. theta energy: -82.674 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: 4, replica: 2 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -861.276198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.276198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.276198 (E_RNA) where: Base-Base interactions energy: -580.229 where: short stacking energy: -229.176 Base-Backbone interact. energy: 0.043 local terms energy: -281.090441 where: bonds (distance) C4'-P energy: -64.639 bonds (distance) P-C4' energy: -61.133 flat angles C4'-P-C4' energy: -62.208 flat angles P-C4'-P energy: -35.639 tors. eta vs tors. theta energy: -57.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -873.687015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.687015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.687015 (E_RNA) where: Base-Base interactions energy: -579.425 where: short stacking energy: -259.676 Base-Backbone interact. energy: 0.126 local terms energy: -294.387578 where: bonds (distance) C4'-P energy: -51.924 bonds (distance) P-C4' energy: -57.740 flat angles C4'-P-C4' energy: -64.738 flat angles P-C4'-P energy: -49.793 tors. eta vs tors. theta energy: -70.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -722.819255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.819255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.819255 (E_RNA) where: Base-Base interactions energy: -455.042 where: short stacking energy: -196.515 Base-Backbone interact. energy: -2.370 local terms energy: -265.407428 where: bonds (distance) C4'-P energy: -57.006 bonds (distance) P-C4' energy: -67.602 flat angles C4'-P-C4' energy: -56.207 flat angles P-C4'-P energy: -36.334 tors. eta vs tors. theta energy: -48.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -663.642793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.642793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.642793 (E_RNA) where: Base-Base interactions energy: -422.074 where: short stacking energy: -177.237 Base-Backbone interact. energy: -3.261 local terms energy: -238.307409 where: bonds (distance) C4'-P energy: -50.538 bonds (distance) P-C4' energy: -70.678 flat angles C4'-P-C4' energy: -60.426 flat angles P-C4'-P energy: -28.288 tors. eta vs tors. theta energy: -28.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -546.629197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.629197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.629197 (E_RNA) where: Base-Base interactions energy: -333.108 where: short stacking energy: -151.361 Base-Backbone interact. energy: -0.310 local terms energy: -213.211116 where: bonds (distance) C4'-P energy: -38.323 bonds (distance) P-C4' energy: -66.137 flat angles C4'-P-C4' energy: -61.478 flat angles P-C4'-P energy: -32.181 tors. eta vs tors. theta energy: -15.092 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: 7 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -422.121507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.121507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.121507 (E_RNA) where: Base-Base interactions energy: -218.712 where: short stacking energy: -131.297 Base-Backbone interact. energy: -1.000 local terms energy: -202.409929 where: bonds (distance) C4'-P energy: -55.631 bonds (distance) P-C4' energy: -52.173 flat angles C4'-P-C4' energy: -50.649 flat angles P-C4'-P energy: -27.586 tors. eta vs tors. theta energy: -16.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -287.622247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.622247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.622247 (E_RNA) where: Base-Base interactions energy: -110.040 where: short stacking energy: -68.352 Base-Backbone interact. energy: 1.036 local terms energy: -178.618727 where: bonds (distance) C4'-P energy: -51.357 bonds (distance) P-C4' energy: -56.257 flat angles C4'-P-C4' energy: -47.163 flat angles P-C4'-P energy: -23.223 tors. eta vs tors. theta energy: -0.618 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: 8 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -1118.464100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.464100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.464100 (E_RNA) where: Base-Base interactions energy: -763.605 where: short stacking energy: -336.977 Base-Backbone interact. energy: 0.242 local terms energy: -355.101274 where: bonds (distance) C4'-P energy: -72.858 bonds (distance) P-C4' energy: -56.060 flat angles C4'-P-C4' energy: -79.755 flat angles P-C4'-P energy: -50.004 tors. eta vs tors. theta energy: -96.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -1027.105844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.105844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.105844 (E_RNA) where: Base-Base interactions energy: -712.702 where: short stacking energy: -304.525 Base-Backbone interact. energy: -2.707 local terms energy: -311.697470 where: bonds (distance) C4'-P energy: -63.107 bonds (distance) P-C4' energy: -59.382 flat angles C4'-P-C4' energy: -70.132 flat angles P-C4'-P energy: -39.849 tors. eta vs tors. theta energy: -79.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -1022.950870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.950870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.950870 (E_RNA) where: Base-Base interactions energy: -704.421 where: short stacking energy: -288.148 Base-Backbone interact. energy: -2.069 local terms energy: -316.460926 where: bonds (distance) C4'-P energy: -66.029 bonds (distance) P-C4' energy: -60.799 flat angles C4'-P-C4' energy: -68.799 flat angles P-C4'-P energy: -48.532 tors. eta vs tors. theta energy: -72.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -949.188079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.188079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.188079 (E_RNA) where: Base-Base interactions energy: -642.758 where: short stacking energy: -263.252 Base-Backbone interact. energy: -1.967 local terms energy: -304.463005 where: bonds (distance) C4'-P energy: -58.376 bonds (distance) P-C4' energy: -66.536 flat angles C4'-P-C4' energy: -66.574 flat angles P-C4'-P energy: -37.190 tors. eta vs tors. theta energy: -75.787 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: 2 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -799.581396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.581396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.581396 (E_RNA) where: Base-Base interactions energy: -514.879 where: short stacking energy: -235.425 Base-Backbone interact. energy: -4.087 local terms energy: -280.614751 where: bonds (distance) C4'-P energy: -62.161 bonds (distance) P-C4' energy: -57.263 flat angles C4'-P-C4' energy: -64.373 flat angles P-C4'-P energy: -39.492 tors. eta vs tors. theta energy: -57.325 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: 6, replica: 9 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -694.471927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.471927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.471927 (E_RNA) where: Base-Base interactions energy: -440.514 where: short stacking energy: -196.616 Base-Backbone interact. energy: -2.728 local terms energy: -251.229410 where: bonds (distance) C4'-P energy: -53.112 bonds (distance) P-C4' energy: -54.262 flat angles C4'-P-C4' energy: -64.409 flat angles P-C4'-P energy: -41.238 tors. eta vs tors. theta energy: -38.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -656.132736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.132736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.132736 (E_RNA) where: Base-Base interactions energy: -399.751 where: short stacking energy: -170.366 Base-Backbone interact. energy: -2.842 local terms energy: -253.540049 where: bonds (distance) C4'-P energy: -57.844 bonds (distance) P-C4' energy: -73.551 flat angles C4'-P-C4' energy: -60.171 flat angles P-C4'-P energy: -37.722 tors. eta vs tors. theta energy: -24.253 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: 10 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -584.510763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.510763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.510763 (E_RNA) where: Base-Base interactions energy: -365.111 where: short stacking energy: -165.688 Base-Backbone interact. energy: -0.407 local terms energy: -218.992875 where: bonds (distance) C4'-P energy: -47.529 bonds (distance) P-C4' energy: -59.523 flat angles C4'-P-C4' energy: -53.956 flat angles P-C4'-P energy: -34.450 tors. eta vs tors. theta energy: -23.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -494.810104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.810104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.810104 (E_RNA) where: Base-Base interactions energy: -252.174 where: short stacking energy: -129.381 Base-Backbone interact. energy: -1.256 local terms energy: -241.379733 where: bonds (distance) C4'-P energy: -56.235 bonds (distance) P-C4' energy: -64.798 flat angles C4'-P-C4' energy: -62.319 flat angles P-C4'-P energy: -40.864 tors. eta vs tors. theta energy: -17.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -324.456456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -324.456456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -324.456456 (E_RNA) where: Base-Base interactions energy: -141.817 where: short stacking energy: -82.482 Base-Backbone interact. energy: -1.424 local terms energy: -181.214607 where: bonds (distance) C4'-P energy: -58.672 bonds (distance) P-C4' energy: -53.621 flat angles C4'-P-C4' energy: -52.503 flat angles P-C4'-P energy: -26.003 tors. eta vs tors. theta energy: 9.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -1108.460416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.460416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.460416 (E_RNA) where: Base-Base interactions energy: -748.273 where: short stacking energy: -313.071 Base-Backbone interact. energy: -1.112 local terms energy: -359.076147 where: bonds (distance) C4'-P energy: -70.887 bonds (distance) P-C4' energy: -66.502 flat angles C4'-P-C4' energy: -74.261 flat angles P-C4'-P energy: -52.697 tors. eta vs tors. theta energy: -94.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 88 Temperature: 0.950000 Total energy: -995.311108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.311108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.311108 (E_RNA) where: Base-Base interactions energy: -666.792 where: short stacking energy: -288.145 Base-Backbone interact. energy: -1.149 local terms energy: -327.370191 where: bonds (distance) C4'-P energy: -65.602 bonds (distance) P-C4' energy: -58.209 flat angles C4'-P-C4' energy: -77.098 flat angles P-C4'-P energy: -45.603 tors. eta vs tors. theta energy: -80.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -1023.653546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.653546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.653546 (E_RNA) where: Base-Base interactions energy: -691.964 where: short stacking energy: -285.552 Base-Backbone interact. energy: -3.116 local terms energy: -328.573076 where: bonds (distance) C4'-P energy: -62.466 bonds (distance) P-C4' energy: -64.156 flat angles C4'-P-C4' energy: -69.895 flat angles P-C4'-P energy: -47.530 tors. eta vs tors. theta energy: -84.526 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: 6 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -982.244860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.244860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.244860 (E_RNA) where: Base-Base interactions energy: -658.565 where: short stacking energy: -266.841 Base-Backbone interact. energy: -1.532 local terms energy: -322.148077 where: bonds (distance) C4'-P energy: -62.979 bonds (distance) P-C4' energy: -55.823 flat angles C4'-P-C4' energy: -74.717 flat angles P-C4'-P energy: -48.637 tors. eta vs tors. theta energy: -79.991 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: 88 Temperature: 1.100000 Total energy: -847.531160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.531160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.531160 (E_RNA) where: Base-Base interactions energy: -565.806 where: short stacking energy: -232.173 Base-Backbone interact. energy: 2.131 local terms energy: -283.856944 where: bonds (distance) C4'-P energy: -58.812 bonds (distance) P-C4' energy: -65.544 flat angles C4'-P-C4' energy: -63.249 flat angles P-C4'-P energy: -36.584 tors. eta vs tors. theta energy: -59.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -666.030903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.030903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.030903 (E_RNA) where: Base-Base interactions energy: -430.508 where: short stacking energy: -200.136 Base-Backbone interact. energy: 0.432 local terms energy: -235.954757 where: bonds (distance) C4'-P energy: -59.053 bonds (distance) P-C4' energy: -55.216 flat angles C4'-P-C4' energy: -55.234 flat angles P-C4'-P energy: -37.791 tors. eta vs tors. theta energy: -28.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -655.019279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.019279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.019279 (E_RNA) where: Base-Base interactions energy: -421.606 where: short stacking energy: -174.076 Base-Backbone interact. energy: -0.818 local terms energy: -232.595059 where: bonds (distance) C4'-P energy: -53.939 bonds (distance) P-C4' energy: -54.732 flat angles C4'-P-C4' energy: -60.162 flat angles P-C4'-P energy: -36.800 tors. eta vs tors. theta energy: -26.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -603.910625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.910625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.910625 (E_RNA) where: Base-Base interactions energy: -367.273 where: short stacking energy: -169.395 Base-Backbone interact. energy: -1.381 local terms energy: -235.256923 where: bonds (distance) C4'-P energy: -60.935 bonds (distance) P-C4' energy: -57.406 flat angles C4'-P-C4' energy: -55.974 flat angles P-C4'-P energy: -35.208 tors. eta vs tors. theta energy: -25.733 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: 7 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -500.570729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.570729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.570729 (E_RNA) where: Base-Base interactions energy: -269.231 where: short stacking energy: -134.646 Base-Backbone interact. energy: -3.352 local terms energy: -227.988427 where: bonds (distance) C4'-P energy: -49.376 bonds (distance) P-C4' energy: -66.698 flat angles C4'-P-C4' energy: -58.334 flat angles P-C4'-P energy: -33.905 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: 10, replica: 4 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -292.221222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.221222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.221222 (E_RNA) where: Base-Base interactions energy: -123.951 where: short stacking energy: -76.444 Base-Backbone interact. energy: -0.246 local terms energy: -168.024111 where: bonds (distance) C4'-P energy: -62.655 bonds (distance) P-C4' energy: -55.067 flat angles C4'-P-C4' energy: -35.852 flat angles P-C4'-P energy: -24.452 tors. eta vs tors. theta energy: 10.002 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: 89 Temperature: 0.900000 Total energy: -1115.302902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.302902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.302902 (E_RNA) where: Base-Base interactions energy: -757.942 where: short stacking energy: -307.335 Base-Backbone interact. energy: -2.046 local terms energy: -355.314547 where: bonds (distance) C4'-P energy: -66.955 bonds (distance) P-C4' energy: -67.729 flat angles C4'-P-C4' energy: -77.214 flat angles P-C4'-P energy: -48.909 tors. eta vs tors. theta energy: -94.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -1053.270675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.270675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.270675 (E_RNA) where: Base-Base interactions energy: -715.997 where: short stacking energy: -318.786 Base-Backbone interact. energy: -0.163 local terms energy: -337.110827 where: bonds (distance) C4'-P energy: -61.584 bonds (distance) P-C4' energy: -57.423 flat angles C4'-P-C4' energy: -76.544 flat angles P-C4'-P energy: -44.018 tors. eta vs tors. theta energy: -97.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -990.555725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.555725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.555725 (E_RNA) where: Base-Base interactions energy: -668.768 where: short stacking energy: -283.252 Base-Backbone interact. energy: 0.848 local terms energy: -322.634909 where: bonds (distance) C4'-P energy: -71.636 bonds (distance) P-C4' energy: -59.041 flat angles C4'-P-C4' energy: -68.315 flat angles P-C4'-P energy: -51.331 tors. eta vs tors. theta energy: -72.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -987.051183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.051183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.051183 (E_RNA) where: Base-Base interactions energy: -692.691 where: short stacking energy: -286.374 Base-Backbone interact. energy: -0.311 local terms energy: -294.049073 where: bonds (distance) C4'-P energy: -55.485 bonds (distance) P-C4' energy: -67.387 flat angles C4'-P-C4' energy: -73.336 flat angles P-C4'-P energy: -26.482 tors. eta vs tors. theta energy: -71.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -810.018464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.018464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.018464 (E_RNA) where: Base-Base interactions energy: -537.590 where: short stacking energy: -226.549 Base-Backbone interact. energy: 3.009 local terms energy: -275.437773 where: bonds (distance) C4'-P energy: -61.589 bonds (distance) P-C4' energy: -62.113 flat angles C4'-P-C4' energy: -64.209 flat angles P-C4'-P energy: -36.839 tors. eta vs tors. theta energy: -50.687 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: 9 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -739.190647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.190647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.190647 (E_RNA) where: Base-Base interactions energy: -470.376 where: short stacking energy: -228.395 Base-Backbone interact. energy: -0.429 local terms energy: -268.385914 where: bonds (distance) C4'-P energy: -53.585 bonds (distance) P-C4' energy: -68.952 flat angles C4'-P-C4' energy: -61.765 flat angles P-C4'-P energy: -37.165 tors. eta vs tors. theta energy: -46.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -645.912355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.912355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.912355 (E_RNA) where: Base-Base interactions energy: -404.461 where: short stacking energy: -186.784 Base-Backbone interact. energy: -1.146 local terms energy: -240.304848 where: bonds (distance) C4'-P energy: -56.337 bonds (distance) P-C4' energy: -55.689 flat angles C4'-P-C4' energy: -57.740 flat angles P-C4'-P energy: -35.882 tors. eta vs tors. theta energy: -34.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -613.653160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.653160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.653160 (E_RNA) where: Base-Base interactions energy: -371.509 where: short stacking energy: -166.231 Base-Backbone interact. energy: -1.974 local terms energy: -240.170202 where: bonds (distance) C4'-P energy: -51.179 bonds (distance) P-C4' energy: -57.905 flat angles C4'-P-C4' energy: -56.727 flat angles P-C4'-P energy: -34.529 tors. eta vs tors. theta energy: -39.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -477.722689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -477.722689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -477.722689 (E_RNA) where: Base-Base interactions energy: -275.899 where: short stacking energy: -124.284 Base-Backbone interact. energy: -0.357 local terms energy: -201.466385 where: bonds (distance) C4'-P energy: -44.670 bonds (distance) P-C4' energy: -73.927 flat angles C4'-P-C4' energy: -41.476 flat angles P-C4'-P energy: -25.041 tors. eta vs tors. theta energy: -16.352 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: 4 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -330.919372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -330.919372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -330.919372 (E_RNA) where: Base-Base interactions energy: -142.139 where: short stacking energy: -90.761 Base-Backbone interact. energy: 3.056 local terms energy: -191.837073 where: bonds (distance) C4'-P energy: -44.294 bonds (distance) P-C4' energy: -61.143 flat angles C4'-P-C4' energy: -61.905 flat angles P-C4'-P energy: -25.099 tors. eta vs tors. theta energy: 0.604 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: 8 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -1143.513649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.513649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.513649 (E_RNA) where: Base-Base interactions energy: -778.170 where: short stacking energy: -334.632 Base-Backbone interact. energy: -1.470 local terms energy: -363.874309 where: bonds (distance) C4'-P energy: -68.331 bonds (distance) P-C4' energy: -68.121 flat angles C4'-P-C4' energy: -71.413 flat angles P-C4'-P energy: -52.198 tors. eta vs tors. theta energy: -103.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -1070.110210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.110210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.110210 (E_RNA) where: Base-Base interactions energy: -735.302 where: short stacking energy: -294.748 Base-Backbone interact. energy: -0.051 local terms energy: -334.756511 where: bonds (distance) C4'-P energy: -58.463 bonds (distance) P-C4' energy: -66.885 flat angles C4'-P-C4' energy: -78.153 flat angles P-C4'-P energy: -44.725 tors. eta vs tors. theta energy: -86.531 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: 6 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -968.531003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.531003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.531003 (E_RNA) where: Base-Base interactions energy: -645.687 where: short stacking energy: -292.494 Base-Backbone interact. energy: 0.776 local terms energy: -323.619236 where: bonds (distance) C4'-P energy: -62.327 bonds (distance) P-C4' energy: -57.086 flat angles C4'-P-C4' energy: -70.618 flat angles P-C4'-P energy: -53.298 tors. eta vs tors. theta energy: -80.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -952.528277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.528277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.528277 (E_RNA) where: Base-Base interactions energy: -666.558 where: short stacking energy: -289.959 Base-Backbone interact. energy: 1.462 local terms energy: -287.432886 where: bonds (distance) C4'-P energy: -56.997 bonds (distance) P-C4' energy: -62.379 flat angles C4'-P-C4' energy: -60.451 flat angles P-C4'-P energy: -37.032 tors. eta vs tors. theta energy: -70.574 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: 5, replica: 2 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -840.027993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.027993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.027993 (E_RNA) where: Base-Base interactions energy: -566.650 where: short stacking energy: -231.801 Base-Backbone interact. energy: -2.046 local terms energy: -271.331730 where: bonds (distance) C4'-P energy: -60.369 bonds (distance) P-C4' energy: -60.260 flat angles C4'-P-C4' energy: -58.833 flat angles P-C4'-P energy: -40.686 tors. eta vs tors. theta energy: -51.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -731.341009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.341009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.341009 (E_RNA) where: Base-Base interactions energy: -473.835 where: short stacking energy: -208.286 Base-Backbone interact. energy: 2.178 local terms energy: -259.683945 where: bonds (distance) C4'-P energy: -52.214 bonds (distance) P-C4' energy: -61.870 flat angles C4'-P-C4' energy: -54.470 flat angles P-C4'-P energy: -44.415 tors. eta vs tors. theta energy: -46.714 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: 7, replica: 5 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -662.456484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.456484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.456484 (E_RNA) where: Base-Base interactions energy: -421.261 where: short stacking energy: -176.438 Base-Backbone interact. energy: -2.719 local terms energy: -238.475908 where: bonds (distance) C4'-P energy: -54.769 bonds (distance) P-C4' energy: -64.700 flat angles C4'-P-C4' energy: -48.447 flat angles P-C4'-P energy: -38.881 tors. eta vs tors. theta energy: -31.680 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: 8, replica: 10 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -637.064377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.064377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.064377 (E_RNA) where: Base-Base interactions energy: -409.072 where: short stacking energy: -182.464 Base-Backbone interact. energy: -1.825 local terms energy: -226.167855 where: bonds (distance) C4'-P energy: -62.601 bonds (distance) P-C4' energy: -38.258 flat angles C4'-P-C4' energy: -56.978 flat angles P-C4'-P energy: -32.282 tors. eta vs tors. theta energy: -36.048 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: 9, replica: 7 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -502.289982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.289982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.289982 (E_RNA) where: Base-Base interactions energy: -281.634 where: short stacking energy: -129.798 Base-Backbone interact. energy: -1.879 local terms energy: -218.776693 where: bonds (distance) C4'-P energy: -59.452 bonds (distance) P-C4' energy: -53.354 flat angles C4'-P-C4' energy: -53.454 flat angles P-C4'-P energy: -35.501 tors. eta vs tors. theta energy: -17.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -285.412082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.412082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.412082 (E_RNA) where: Base-Base interactions energy: -102.972 where: short stacking energy: -84.230 Base-Backbone interact. energy: 3.338 local terms energy: -185.778150 where: bonds (distance) C4'-P energy: -53.719 bonds (distance) P-C4' energy: -56.189 flat angles C4'-P-C4' energy: -53.324 flat angles P-C4'-P energy: -27.940 tors. eta vs tors. theta energy: 5.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -1134.765900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.765900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.765900 (E_RNA) where: Base-Base interactions energy: -769.888 where: short stacking energy: -316.896 Base-Backbone interact. energy: -0.849 local terms energy: -364.029056 where: bonds (distance) C4'-P energy: -70.267 bonds (distance) P-C4' energy: -64.845 flat angles C4'-P-C4' energy: -79.468 flat angles P-C4'-P energy: -50.403 tors. eta vs tors. theta energy: -99.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -1071.467574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.467574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.467574 (E_RNA) where: Base-Base interactions energy: -725.885 where: short stacking energy: -301.990 Base-Backbone interact. energy: -2.135 local terms energy: -343.448321 where: bonds (distance) C4'-P energy: -58.441 bonds (distance) P-C4' energy: -67.099 flat angles C4'-P-C4' energy: -71.690 flat angles P-C4'-P energy: -49.728 tors. eta vs tors. theta energy: -96.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -990.460207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.460207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.460207 (E_RNA) where: Base-Base interactions energy: -668.416 where: short stacking energy: -280.129 Base-Backbone interact. energy: -1.569 local terms energy: -320.475293 where: bonds (distance) C4'-P energy: -59.902 bonds (distance) P-C4' energy: -63.661 flat angles C4'-P-C4' energy: -69.198 flat angles P-C4'-P energy: -43.910 tors. eta vs tors. theta energy: -83.805 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: 1 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -958.930916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.930916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.930916 (E_RNA) where: Base-Base interactions energy: -667.964 where: short stacking energy: -263.375 Base-Backbone interact. energy: 1.040 local terms energy: -292.006798 where: bonds (distance) C4'-P energy: -62.016 bonds (distance) P-C4' energy: -64.916 flat angles C4'-P-C4' energy: -65.605 flat angles P-C4'-P energy: -37.198 tors. eta vs tors. theta energy: -62.273 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: 2 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -816.377954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.377954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.377954 (E_RNA) where: Base-Base interactions energy: -539.443 where: short stacking energy: -240.954 Base-Backbone interact. energy: 2.319 local terms energy: -279.254266 where: bonds (distance) C4'-P energy: -50.552 bonds (distance) P-C4' energy: -61.774 flat angles C4'-P-C4' energy: -64.900 flat angles P-C4'-P energy: -48.648 tors. eta vs tors. theta energy: -53.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -782.960048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.960048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.960048 (E_RNA) where: Base-Base interactions energy: -508.408 where: short stacking energy: -228.707 Base-Backbone interact. energy: -2.269 local terms energy: -272.283799 where: bonds (distance) C4'-P energy: -53.189 bonds (distance) P-C4' energy: -69.262 flat angles C4'-P-C4' energy: -61.723 flat angles P-C4'-P energy: -39.344 tors. eta vs tors. theta energy: -48.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -623.376958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.376958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.376958 (E_RNA) where: Base-Base interactions energy: -380.879 where: short stacking energy: -174.630 Base-Backbone interact. energy: 0.321 local terms energy: -242.818331 where: bonds (distance) C4'-P energy: -53.163 bonds (distance) P-C4' energy: -53.066 flat angles C4'-P-C4' energy: -58.386 flat angles P-C4'-P energy: -39.236 tors. eta vs tors. theta energy: -38.967 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: 10 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -597.321504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.321504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.321504 (E_RNA) where: Base-Base interactions energy: -359.703 where: short stacking energy: -150.383 Base-Backbone interact. energy: -1.877 local terms energy: -235.741395 where: bonds (distance) C4'-P energy: -56.068 bonds (distance) P-C4' energy: -60.758 flat angles C4'-P-C4' energy: -59.438 flat angles P-C4'-P energy: -40.836 tors. eta vs tors. theta energy: -18.642 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: 7 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -527.310469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.310469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.310469 (E_RNA) where: Base-Base interactions energy: -310.050 where: short stacking energy: -138.472 Base-Backbone interact. energy: 0.550 local terms energy: -217.809877 where: bonds (distance) C4'-P energy: -51.205 bonds (distance) P-C4' energy: -66.447 flat angles C4'-P-C4' energy: -59.144 flat angles P-C4'-P energy: -21.224 tors. eta vs tors. theta energy: -19.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -274.165036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -274.165036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -274.165036 (E_RNA) where: Base-Base interactions energy: -125.281 where: short stacking energy: -100.889 Base-Backbone interact. energy: -1.302 local terms energy: -147.581682 where: bonds (distance) C4'-P energy: -45.200 bonds (distance) P-C4' energy: -50.780 flat angles C4'-P-C4' energy: -39.203 flat angles P-C4'-P energy: -24.150 tors. eta vs tors. theta energy: 11.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -1125.215612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.215612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.215612 (E_RNA) where: Base-Base interactions energy: -785.177 where: short stacking energy: -326.515 Base-Backbone interact. energy: -2.384 local terms energy: -337.654493 where: bonds (distance) C4'-P energy: -65.701 bonds (distance) P-C4' energy: -61.040 flat angles C4'-P-C4' energy: -73.883 flat angles P-C4'-P energy: -39.486 tors. eta vs tors. theta energy: -97.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -1118.473971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.473971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.473971 (E_RNA) where: Base-Base interactions energy: -761.827 where: short stacking energy: -316.524 Base-Backbone interact. energy: -2.076 local terms energy: -354.570179 where: bonds (distance) C4'-P energy: -71.101 bonds (distance) P-C4' energy: -65.519 flat angles C4'-P-C4' energy: -69.243 flat angles P-C4'-P energy: -53.836 tors. eta vs tors. theta energy: -94.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -969.449997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.449997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.449997 (E_RNA) where: Base-Base interactions energy: -655.925 where: short stacking energy: -277.544 Base-Backbone interact. energy: -0.648 local terms energy: -312.877401 where: bonds (distance) C4'-P energy: -55.779 bonds (distance) P-C4' energy: -63.180 flat angles C4'-P-C4' energy: -67.485 flat angles P-C4'-P energy: -46.868 tors. eta vs tors. theta energy: -79.565 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: 1 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -928.548058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.548058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.548058 (E_RNA) where: Base-Base interactions energy: -644.741 where: short stacking energy: -258.217 Base-Backbone interact. energy: -0.668 local terms energy: -283.139709 where: bonds (distance) C4'-P energy: -57.584 bonds (distance) P-C4' energy: -62.658 flat angles C4'-P-C4' energy: -61.726 flat angles P-C4'-P energy: -48.223 tors. eta vs tors. theta energy: -52.949 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: 5, replica: 2 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -834.741484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.741484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.741484 (E_RNA) where: Base-Base interactions energy: -583.015 where: short stacking energy: -254.767 Base-Backbone interact. energy: -4.823 local terms energy: -246.903276 where: bonds (distance) C4'-P energy: -50.820 bonds (distance) P-C4' energy: -52.875 flat angles C4'-P-C4' energy: -56.826 flat angles P-C4'-P energy: -36.138 tors. eta vs tors. theta energy: -50.244 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: 9 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -783.518160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.518160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.518160 (E_RNA) where: Base-Base interactions energy: -512.442 where: short stacking energy: -254.122 Base-Backbone interact. energy: -1.269 local terms energy: -269.807767 where: bonds (distance) C4'-P energy: -57.355 bonds (distance) P-C4' energy: -46.390 flat angles C4'-P-C4' energy: -57.261 flat angles P-C4'-P energy: -46.359 tors. eta vs tors. theta energy: -62.444 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: 5 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -646.699941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.699941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.699941 (E_RNA) where: Base-Base interactions energy: -408.792 where: short stacking energy: -179.689 Base-Backbone interact. energy: -2.045 local terms energy: -235.863175 where: bonds (distance) C4'-P energy: -51.193 bonds (distance) P-C4' energy: -57.626 flat angles C4'-P-C4' energy: -53.282 flat angles P-C4'-P energy: -43.860 tors. eta vs tors. theta energy: -29.902 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: 10 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -642.307822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.307822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.307822 (E_RNA) where: Base-Base interactions energy: -410.736 where: short stacking energy: -175.897 Base-Backbone interact. energy: -0.099 local terms energy: -231.473128 where: bonds (distance) C4'-P energy: -50.106 bonds (distance) P-C4' energy: -58.324 flat angles C4'-P-C4' energy: -49.672 flat angles P-C4'-P energy: -37.688 tors. eta vs tors. theta energy: -35.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -481.411350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.411350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.411350 (E_RNA) where: Base-Base interactions energy: -292.635 where: short stacking energy: -132.292 Base-Backbone interact. energy: -0.650 local terms energy: -188.126448 where: bonds (distance) C4'-P energy: -47.031 bonds (distance) P-C4' energy: -41.477 flat angles C4'-P-C4' energy: -48.873 flat angles P-C4'-P energy: -38.166 tors. eta vs tors. theta energy: -12.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -290.273733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.273733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.273733 (E_RNA) where: Base-Base interactions energy: -104.317 where: short stacking energy: -81.362 Base-Backbone interact. energy: 0.763 local terms energy: -186.719592 where: bonds (distance) C4'-P energy: -54.298 bonds (distance) P-C4' energy: -61.226 flat angles C4'-P-C4' energy: -48.614 flat angles P-C4'-P energy: -23.736 tors. eta vs tors. theta energy: 1.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -1121.378480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.378480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.378480 (E_RNA) where: Base-Base interactions energy: -754.450 where: short stacking energy: -326.599 Base-Backbone interact. energy: -2.464 local terms energy: -364.464050 where: bonds (distance) C4'-P energy: -62.148 bonds (distance) P-C4' energy: -70.024 flat angles C4'-P-C4' energy: -74.074 flat angles P-C4'-P energy: -58.782 tors. eta vs tors. theta energy: -99.437 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: 3 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -1083.923204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.923204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.923204 (E_RNA) where: Base-Base interactions energy: -772.425 where: short stacking energy: -317.750 Base-Backbone interact. energy: -1.799 local terms energy: -309.698433 where: bonds (distance) C4'-P energy: -60.245 bonds (distance) P-C4' energy: -57.827 flat angles C4'-P-C4' energy: -77.711 flat angles P-C4'-P energy: -28.963 tors. eta vs tors. theta energy: -84.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -974.474281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.474281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.474281 (E_RNA) where: Base-Base interactions energy: -662.034 where: short stacking energy: -279.752 Base-Backbone interact. energy: -1.386 local terms energy: -311.054521 where: bonds (distance) C4'-P energy: -55.822 bonds (distance) P-C4' energy: -68.199 flat angles C4'-P-C4' energy: -71.188 flat angles P-C4'-P energy: -38.426 tors. eta vs tors. theta energy: -77.419 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: 1 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -940.282732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.282732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.282732 (E_RNA) where: Base-Base interactions energy: -628.565 where: short stacking energy: -253.077 Base-Backbone interact. energy: 0.358 local terms energy: -312.074967 where: bonds (distance) C4'-P energy: -68.928 bonds (distance) P-C4' energy: -62.097 flat angles C4'-P-C4' energy: -69.694 flat angles P-C4'-P energy: -49.740 tors. eta vs tors. theta energy: -61.616 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: 5, replica: 2 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -879.250072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.250072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.250072 (E_RNA) where: Base-Base interactions energy: -595.917 where: short stacking energy: -235.681 Base-Backbone interact. energy: 0.272 local terms energy: -283.604707 where: bonds (distance) C4'-P energy: -62.805 bonds (distance) P-C4' energy: -54.931 flat angles C4'-P-C4' energy: -66.899 flat angles P-C4'-P energy: -38.972 tors. eta vs tors. theta energy: -59.998 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: 5 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -672.553318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.553318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.553318 (E_RNA) where: Base-Base interactions energy: -426.203 where: short stacking energy: -182.657 Base-Backbone interact. energy: 1.386 local terms energy: -247.737017 where: bonds (distance) C4'-P energy: -50.005 bonds (distance) P-C4' energy: -66.847 flat angles C4'-P-C4' energy: -56.358 flat angles P-C4'-P energy: -44.055 tors. eta vs tors. theta energy: -30.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -714.031133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.031133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.031133 (E_RNA) where: Base-Base interactions energy: -475.185 where: short stacking energy: -237.192 Base-Backbone interact. energy: -2.094 local terms energy: -236.752146 where: bonds (distance) C4'-P energy: -43.371 bonds (distance) P-C4' energy: -60.260 flat angles C4'-P-C4' energy: -49.495 flat angles P-C4'-P energy: -35.405 tors. eta vs tors. theta energy: -48.222 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: 10 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -650.574842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.574842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.574842 (E_RNA) where: Base-Base interactions energy: -440.334 where: short stacking energy: -191.535 Base-Backbone interact. energy: 6.334 local terms energy: -216.574461 where: bonds (distance) C4'-P energy: -42.568 bonds (distance) P-C4' energy: -53.167 flat angles C4'-P-C4' energy: -58.425 flat angles P-C4'-P energy: -37.010 tors. eta vs tors. theta energy: -25.404 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: 7 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -516.715097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.715097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.715097 (E_RNA) where: Base-Base interactions energy: -315.745 where: short stacking energy: -156.951 Base-Backbone interact. energy: -0.751 local terms energy: -200.219249 where: bonds (distance) C4'-P energy: -52.076 bonds (distance) P-C4' energy: -43.695 flat angles C4'-P-C4' energy: -57.735 flat angles P-C4'-P energy: -29.416 tors. eta vs tors. theta energy: -17.297 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: 10, replica: 4 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -277.529472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.529472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.529472 (E_RNA) where: Base-Base interactions energy: -114.461 where: short stacking energy: -73.893 Base-Backbone interact. energy: 0.871 local terms energy: -163.939087 where: bonds (distance) C4'-P energy: -48.990 bonds (distance) P-C4' energy: -55.073 flat angles C4'-P-C4' energy: -53.148 flat angles P-C4'-P energy: -21.554 tors. eta vs tors. theta energy: 14.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -1107.104756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.104756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.104756 (E_RNA) where: Base-Base interactions energy: -770.842 where: short stacking energy: -317.845 Base-Backbone interact. energy: -2.302 local terms energy: -333.960909 where: bonds (distance) C4'-P energy: -63.135 bonds (distance) P-C4' energy: -61.977 flat angles C4'-P-C4' energy: -69.227 flat angles P-C4'-P energy: -54.741 tors. eta vs tors. theta energy: -84.881 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: 8 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -1100.274538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.274538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.274538 (E_RNA) where: Base-Base interactions energy: -755.078 where: short stacking energy: -319.694 Base-Backbone interact. energy: -0.528 local terms energy: -344.668581 where: bonds (distance) C4'-P energy: -57.464 bonds (distance) P-C4' energy: -67.673 flat angles C4'-P-C4' energy: -78.069 flat angles P-C4'-P energy: -46.523 tors. eta vs tors. theta energy: -94.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -1004.321116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.321116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.321116 (E_RNA) where: Base-Base interactions energy: -683.268 where: short stacking energy: -287.352 Base-Backbone interact. energy: -2.641 local terms energy: -318.412095 where: bonds (distance) C4'-P energy: -60.818 bonds (distance) P-C4' energy: -61.540 flat angles C4'-P-C4' energy: -63.164 flat angles P-C4'-P energy: -53.534 tors. eta vs tors. theta energy: -79.356 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: 6 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -940.109432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.109432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.109432 (E_RNA) where: Base-Base interactions energy: -643.153 where: short stacking energy: -283.542 Base-Backbone interact. energy: 2.943 local terms energy: -299.899581 where: bonds (distance) C4'-P energy: -55.852 bonds (distance) P-C4' energy: -55.727 flat angles C4'-P-C4' energy: -66.935 flat angles P-C4'-P energy: -40.960 tors. eta vs tors. theta energy: -80.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -870.096845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.096845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.096845 (E_RNA) where: Base-Base interactions energy: -592.555 where: short stacking energy: -239.337 Base-Backbone interact. energy: 0.721 local terms energy: -278.262999 where: bonds (distance) C4'-P energy: -47.801 bonds (distance) P-C4' energy: -63.957 flat angles C4'-P-C4' energy: -67.027 flat angles P-C4'-P energy: -41.011 tors. eta vs tors. theta energy: -58.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -726.716474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.716474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.716474 (E_RNA) where: Base-Base interactions energy: -446.675 where: short stacking energy: -195.363 Base-Backbone interact. energy: -2.176 local terms energy: -277.865041 where: bonds (distance) C4'-P energy: -63.467 bonds (distance) P-C4' energy: -66.406 flat angles C4'-P-C4' energy: -62.131 flat angles P-C4'-P energy: -36.799 tors. eta vs tors. theta energy: -49.062 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: 10 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -689.290320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.290320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.290320 (E_RNA) where: Base-Base interactions energy: -422.236 where: short stacking energy: -175.789 Base-Backbone interact. energy: -1.914 local terms energy: -265.140348 where: bonds (distance) C4'-P energy: -67.737 bonds (distance) P-C4' energy: -60.041 flat angles C4'-P-C4' energy: -63.347 flat angles P-C4'-P energy: -29.051 tors. eta vs tors. theta energy: -44.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -666.117149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -666.117149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -666.117149 (E_RNA) where: Base-Base interactions energy: -424.954 where: short stacking energy: -207.621 Base-Backbone interact. energy: 0.919 local terms energy: -242.082557 where: bonds (distance) C4'-P energy: -45.219 bonds (distance) P-C4' energy: -50.255 flat angles C4'-P-C4' energy: -62.460 flat angles P-C4'-P energy: -35.559 tors. eta vs tors. theta energy: -48.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -492.993293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -492.993293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -492.993293 (E_RNA) where: Base-Base interactions energy: -283.282 where: short stacking energy: -125.883 Base-Backbone interact. energy: 6.462 local terms energy: -216.174027 where: bonds (distance) C4'-P energy: -53.985 bonds (distance) P-C4' energy: -59.649 flat angles C4'-P-C4' energy: -59.525 flat angles P-C4'-P energy: -27.606 tors. eta vs tors. theta energy: -15.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -299.117891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.117891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.117891 (E_RNA) where: Base-Base interactions energy: -128.524 where: short stacking energy: -88.265 Base-Backbone interact. energy: 3.109 local terms energy: -173.703200 where: bonds (distance) C4'-P energy: -55.578 bonds (distance) P-C4' energy: -50.902 flat angles C4'-P-C4' energy: -52.086 flat angles P-C4'-P energy: -17.595 tors. eta vs tors. theta energy: 2.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -1115.627850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.627850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.627850 (E_RNA) where: Base-Base interactions energy: -779.023 where: short stacking energy: -298.812 Base-Backbone interact. energy: -0.800 local terms energy: -335.805095 where: bonds (distance) C4'-P energy: -66.601 bonds (distance) P-C4' energy: -67.240 flat angles C4'-P-C4' energy: -69.996 flat angles P-C4'-P energy: -47.100 tors. eta vs tors. theta energy: -84.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -1087.635587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.635587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.635587 (E_RNA) where: Base-Base interactions energy: -741.268 where: short stacking energy: -311.554 Base-Backbone interact. energy: -3.323 local terms energy: -343.044432 where: bonds (distance) C4'-P energy: -60.412 bonds (distance) P-C4' energy: -69.769 flat angles C4'-P-C4' energy: -72.378 flat angles P-C4'-P energy: -51.943 tors. eta vs tors. theta energy: -88.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -998.375669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.375669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.375669 (E_RNA) where: Base-Base interactions energy: -692.987 where: short stacking energy: -265.767 Base-Backbone interact. energy: -1.713 local terms energy: -303.675184 where: bonds (distance) C4'-P energy: -69.588 bonds (distance) P-C4' energy: -48.258 flat angles C4'-P-C4' energy: -60.908 flat angles P-C4'-P energy: -54.419 tors. eta vs tors. theta energy: -70.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -938.026235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.026235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.026235 (E_RNA) where: Base-Base interactions energy: -639.692 where: short stacking energy: -271.308 Base-Backbone interact. energy: -0.121 local terms energy: -298.213003 where: bonds (distance) C4'-P energy: -54.676 bonds (distance) P-C4' energy: -57.667 flat angles C4'-P-C4' energy: -71.821 flat angles P-C4'-P energy: -48.163 tors. eta vs tors. theta energy: -65.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -842.453324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.453324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.453324 (E_RNA) where: Base-Base interactions energy: -563.316 where: short stacking energy: -231.161 Base-Backbone interact. energy: -1.042 local terms energy: -278.095809 where: bonds (distance) C4'-P energy: -47.931 bonds (distance) P-C4' energy: -64.565 flat angles C4'-P-C4' energy: -60.379 flat angles P-C4'-P energy: -46.105 tors. eta vs tors. theta energy: -59.115 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: 5 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -703.035117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.035117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.035117 (E_RNA) where: Base-Base interactions energy: -469.266 where: short stacking energy: -207.432 Base-Backbone interact. energy: -2.025 local terms energy: -231.743703 where: bonds (distance) C4'-P energy: -34.111 bonds (distance) P-C4' energy: -60.610 flat angles C4'-P-C4' energy: -68.010 flat angles P-C4'-P energy: -33.566 tors. eta vs tors. theta energy: -35.446 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: 10 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -705.552284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.552284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.552284 (E_RNA) where: Base-Base interactions energy: -451.611 where: short stacking energy: -202.120 Base-Backbone interact. energy: -1.471 local terms energy: -252.470437 where: bonds (distance) C4'-P energy: -64.885 bonds (distance) P-C4' energy: -50.902 flat angles C4'-P-C4' energy: -57.904 flat angles P-C4'-P energy: -32.879 tors. eta vs tors. theta energy: -45.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -652.582407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.582407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.582407 (E_RNA) where: Base-Base interactions energy: -425.884 where: short stacking energy: -195.359 Base-Backbone interact. energy: 0.173 local terms energy: -226.870967 where: bonds (distance) C4'-P energy: -49.157 bonds (distance) P-C4' energy: -50.032 flat angles C4'-P-C4' energy: -64.728 flat angles P-C4'-P energy: -24.337 tors. eta vs tors. theta energy: -38.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -503.892742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -503.892742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -503.892742 (E_RNA) where: Base-Base interactions energy: -278.053 where: short stacking energy: -140.925 Base-Backbone interact. energy: -1.208 local terms energy: -224.631992 where: bonds (distance) C4'-P energy: -58.708 bonds (distance) P-C4' energy: -47.059 flat angles C4'-P-C4' energy: -60.408 flat angles P-C4'-P energy: -28.013 tors. eta vs tors. theta energy: -30.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -304.189242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -304.189242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -304.189242 (E_RNA) where: Base-Base interactions energy: -132.409 where: short stacking energy: -91.520 Base-Backbone interact. energy: 3.338 local terms energy: -175.118578 where: bonds (distance) C4'-P energy: -52.472 bonds (distance) P-C4' energy: -45.894 flat angles C4'-P-C4' energy: -39.734 flat angles P-C4'-P energy: -31.785 tors. eta vs tors. theta energy: -5.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -1114.996577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.996577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.996577 (E_RNA) where: Base-Base interactions energy: -762.784 where: short stacking energy: -307.205 Base-Backbone interact. energy: -3.007 local terms energy: -349.205635 where: bonds (distance) C4'-P energy: -64.964 bonds (distance) P-C4' energy: -69.394 flat angles C4'-P-C4' energy: -69.323 flat angles P-C4'-P energy: -56.236 tors. eta vs tors. theta energy: -89.289 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: 8 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -1097.665475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.665475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.665475 (E_RNA) where: Base-Base interactions energy: -752.702 where: short stacking energy: -321.445 Base-Backbone interact. energy: -0.335 local terms energy: -344.627560 where: bonds (distance) C4'-P energy: -65.908 bonds (distance) P-C4' energy: -64.058 flat angles C4'-P-C4' energy: -72.391 flat angles P-C4'-P energy: -50.903 tors. eta vs tors. theta energy: -91.367 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: 1 ===================================== Write number: 96 Temperature: 1.000000 Total energy: -994.217666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.217666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.217666 (E_RNA) where: Base-Base interactions energy: -677.594 where: short stacking energy: -274.566 Base-Backbone interact. energy: -1.576 local terms energy: -315.046983 where: bonds (distance) C4'-P energy: -66.491 bonds (distance) P-C4' energy: -68.954 flat angles C4'-P-C4' energy: -58.545 flat angles P-C4'-P energy: -47.532 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: 4, replica: 6 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -959.696315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.696315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.696315 (E_RNA) where: Base-Base interactions energy: -655.421 where: short stacking energy: -288.320 Base-Backbone interact. energy: -1.852 local terms energy: -302.423721 where: bonds (distance) C4'-P energy: -61.039 bonds (distance) P-C4' energy: -51.972 flat angles C4'-P-C4' energy: -69.240 flat angles P-C4'-P energy: -35.374 tors. eta vs tors. theta energy: -84.799 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: 5, replica: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -828.840943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.840943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.840943 (E_RNA) where: Base-Base interactions energy: -538.240 where: short stacking energy: -229.964 Base-Backbone interact. energy: -3.014 local terms energy: -287.587106 where: bonds (distance) C4'-P energy: -67.113 bonds (distance) P-C4' energy: -58.259 flat angles C4'-P-C4' energy: -58.021 flat angles P-C4'-P energy: -44.018 tors. eta vs tors. theta energy: -60.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -693.251499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.251499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.251499 (E_RNA) where: Base-Base interactions energy: -429.657 where: short stacking energy: -195.076 Base-Backbone interact. energy: -0.565 local terms energy: -263.028872 where: bonds (distance) C4'-P energy: -47.186 bonds (distance) P-C4' energy: -67.442 flat angles C4'-P-C4' energy: -72.562 flat angles P-C4'-P energy: -40.399 tors. eta vs tors. theta energy: -35.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -719.781223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.781223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.781223 (E_RNA) where: Base-Base interactions energy: -471.496 where: short stacking energy: -218.447 Base-Backbone interact. energy: -1.422 local terms energy: -246.863820 where: bonds (distance) C4'-P energy: -55.935 bonds (distance) P-C4' energy: -51.524 flat angles C4'-P-C4' energy: -61.922 flat angles P-C4'-P energy: -24.095 tors. eta vs tors. theta energy: -53.388 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: 9 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -618.776345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.776345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.776345 (E_RNA) where: Base-Base interactions energy: -385.719 where: short stacking energy: -182.202 Base-Backbone interact. energy: 0.361 local terms energy: -233.418151 where: bonds (distance) C4'-P energy: -45.164 bonds (distance) P-C4' energy: -70.584 flat angles C4'-P-C4' energy: -49.000 flat angles P-C4'-P energy: -39.730 tors. eta vs tors. theta energy: -28.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -530.841996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.841996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.841996 (E_RNA) where: Base-Base interactions energy: -321.759 where: short stacking energy: -154.037 Base-Backbone interact. energy: -0.775 local terms energy: -208.308597 where: bonds (distance) C4'-P energy: -56.969 bonds (distance) P-C4' energy: -60.841 flat angles C4'-P-C4' energy: -50.731 flat angles P-C4'-P energy: -25.296 tors. eta vs tors. theta energy: -14.472 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: 4 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -283.182473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.182473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.182473 (E_RNA) where: Base-Base interactions energy: -98.345 where: short stacking energy: -68.787 Base-Backbone interact. energy: -0.872 local terms energy: -183.965335 where: bonds (distance) C4'-P energy: -58.030 bonds (distance) P-C4' energy: -62.301 flat angles C4'-P-C4' energy: -43.206 flat angles P-C4'-P energy: -24.701 tors. eta vs tors. theta energy: 4.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -1102.330370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.330370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.330370 (E_RNA) where: Base-Base interactions energy: -755.377 where: short stacking energy: -307.961 Base-Backbone interact. energy: -1.278 local terms energy: -345.675207 where: bonds (distance) C4'-P energy: -57.530 bonds (distance) P-C4' energy: -64.478 flat angles C4'-P-C4' energy: -78.359 flat angles P-C4'-P energy: -55.796 tors. eta vs tors. theta energy: -89.512 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -1077.901979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.901979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.901979 (E_RNA) where: Base-Base interactions energy: -741.605 where: short stacking energy: -296.125 Base-Backbone interact. energy: -1.064 local terms energy: -335.232258 where: bonds (distance) C4'-P energy: -61.885 bonds (distance) P-C4' energy: -63.763 flat angles C4'-P-C4' energy: -72.101 flat angles P-C4'-P energy: -52.714 tors. eta vs tors. theta energy: -84.768 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: 1 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -1002.512151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.512151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.512151 (E_RNA) where: Base-Base interactions energy: -690.435 where: short stacking energy: -276.084 Base-Backbone interact. energy: -1.742 local terms energy: -310.335620 where: bonds (distance) C4'-P energy: -60.980 bonds (distance) P-C4' energy: -61.459 flat angles C4'-P-C4' energy: -63.044 flat angles P-C4'-P energy: -51.385 tors. eta vs tors. theta energy: -73.468 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: 4, replica: 6 ===================================== Write number: 97 Temperature: 1.050000 Total energy: -931.718780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.718780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.718780 (E_RNA) where: Base-Base interactions energy: -630.873 where: short stacking energy: -265.073 Base-Backbone interact. energy: 0.472 local terms energy: -301.317782 where: bonds (distance) C4'-P energy: -48.121 bonds (distance) P-C4' energy: -63.442 flat angles C4'-P-C4' energy: -63.322 flat angles P-C4'-P energy: -50.019 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: 5, replica: 2 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -813.251063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.251063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.251063 (E_RNA) where: Base-Base interactions energy: -547.426 where: short stacking energy: -220.830 Base-Backbone interact. energy: -2.585 local terms energy: -263.240259 where: bonds (distance) C4'-P energy: -51.864 bonds (distance) P-C4' energy: -49.002 flat angles C4'-P-C4' energy: -66.240 flat angles P-C4'-P energy: -44.755 tors. eta vs tors. theta energy: -51.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -757.150020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.150020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.150020 (E_RNA) where: Base-Base interactions energy: -489.019 where: short stacking energy: -234.566 Base-Backbone interact. energy: -1.298 local terms energy: -266.833189 where: bonds (distance) C4'-P energy: -47.763 bonds (distance) P-C4' energy: -63.855 flat angles C4'-P-C4' energy: -60.467 flat angles P-C4'-P energy: -42.650 tors. eta vs tors. theta energy: -52.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -641.391371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.391371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.391371 (E_RNA) where: Base-Base interactions energy: -418.315 where: short stacking energy: -184.805 Base-Backbone interact. energy: 0.357 local terms energy: -223.433476 where: bonds (distance) C4'-P energy: -44.062 bonds (distance) P-C4' energy: -58.491 flat angles C4'-P-C4' energy: -63.876 flat angles P-C4'-P energy: -32.214 tors. eta vs tors. theta energy: -24.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -650.624083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.624083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.624083 (E_RNA) where: Base-Base interactions energy: -414.390 where: short stacking energy: -185.172 Base-Backbone interact. energy: -0.749 local terms energy: -235.485440 where: bonds (distance) C4'-P energy: -58.805 bonds (distance) P-C4' energy: -49.270 flat angles C4'-P-C4' energy: -57.054 flat angles P-C4'-P energy: -36.894 tors. eta vs tors. theta energy: -33.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -528.252212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.252212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.252212 (E_RNA) where: Base-Base interactions energy: -330.731 where: short stacking energy: -155.634 Base-Backbone interact. energy: -0.991 local terms energy: -196.530514 where: bonds (distance) C4'-P energy: -51.114 bonds (distance) P-C4' energy: -48.132 flat angles C4'-P-C4' energy: -50.382 flat angles P-C4'-P energy: -22.566 tors. eta vs tors. theta energy: -24.337 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: 4 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -273.920983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.920983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.920983 (E_RNA) where: Base-Base interactions energy: -100.864 where: short stacking energy: -79.184 Base-Backbone interact. energy: -1.649 local terms energy: -171.408101 where: bonds (distance) C4'-P energy: -65.029 bonds (distance) P-C4' energy: -64.161 flat angles C4'-P-C4' energy: -50.412 flat angles P-C4'-P energy: -4.692 tors. eta vs tors. theta energy: 12.885 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: 1, replica: 8 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -1117.171908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.171908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.171908 (E_RNA) where: Base-Base interactions energy: -772.346 where: short stacking energy: -341.677 Base-Backbone interact. energy: -1.358 local terms energy: -343.467631 where: bonds (distance) C4'-P energy: -52.433 bonds (distance) P-C4' energy: -64.073 flat angles C4'-P-C4' energy: -80.636 flat angles P-C4'-P energy: -43.121 tors. eta vs tors. theta energy: -103.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -1088.202364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.202364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.202364 (E_RNA) where: Base-Base interactions energy: -758.841 where: short stacking energy: -295.339 Base-Backbone interact. energy: -1.065 local terms energy: -328.296777 where: bonds (distance) C4'-P energy: -63.807 bonds (distance) P-C4' energy: -67.795 flat angles C4'-P-C4' energy: -70.418 flat angles P-C4'-P energy: -47.259 tors. eta vs tors. theta energy: -79.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -988.200999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -988.200999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -988.200999 (E_RNA) where: Base-Base interactions energy: -672.205 where: short stacking energy: -280.798 Base-Backbone interact. energy: -4.054 local terms energy: -311.941615 where: bonds (distance) C4'-P energy: -65.218 bonds (distance) P-C4' energy: -63.191 flat angles C4'-P-C4' energy: -69.541 flat angles P-C4'-P energy: -40.859 tors. eta vs tors. theta energy: -73.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -924.385956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.385956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.385956 (E_RNA) where: Base-Base interactions energy: -621.451 where: short stacking energy: -271.211 Base-Backbone interact. energy: -2.588 local terms energy: -300.346485 where: bonds (distance) C4'-P energy: -50.167 bonds (distance) P-C4' energy: -58.916 flat angles C4'-P-C4' energy: -67.488 flat angles P-C4'-P energy: -46.244 tors. eta vs tors. theta energy: -77.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -835.529934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.529934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.529934 (E_RNA) where: Base-Base interactions energy: -542.845 where: short stacking energy: -224.896 Base-Backbone interact. energy: -2.992 local terms energy: -289.692942 where: bonds (distance) C4'-P energy: -63.811 bonds (distance) P-C4' energy: -62.257 flat angles C4'-P-C4' energy: -63.169 flat angles P-C4'-P energy: -43.285 tors. eta vs tors. theta energy: -57.170 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: 10 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -727.376130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.376130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.376130 (E_RNA) where: Base-Base interactions energy: -459.490 where: short stacking energy: -216.688 Base-Backbone interact. energy: -2.754 local terms energy: -265.132127 where: bonds (distance) C4'-P energy: -60.153 bonds (distance) P-C4' energy: -66.530 flat angles C4'-P-C4' energy: -56.988 flat angles P-C4'-P energy: -37.777 tors. eta vs tors. theta energy: -43.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -665.194114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.194114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.194114 (E_RNA) where: Base-Base interactions energy: -408.948 where: short stacking energy: -180.354 Base-Backbone interact. energy: 0.324 local terms energy: -256.570086 where: bonds (distance) C4'-P energy: -55.469 bonds (distance) P-C4' energy: -63.997 flat angles C4'-P-C4' energy: -64.475 flat angles P-C4'-P energy: -36.234 tors. eta vs tors. theta energy: -36.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -622.257456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.257456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.257456 (E_RNA) where: Base-Base interactions energy: -383.961 where: short stacking energy: -172.168 Base-Backbone interact. energy: -0.843 local terms energy: -237.453721 where: bonds (distance) C4'-P energy: -55.950 bonds (distance) P-C4' energy: -56.590 flat angles C4'-P-C4' energy: -56.487 flat angles P-C4'-P energy: -31.347 tors. eta vs tors. theta energy: -37.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -536.190139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.190139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.190139 (E_RNA) where: Base-Base interactions energy: -318.880 where: short stacking energy: -163.376 Base-Backbone interact. energy: 0.225 local terms energy: -217.535144 where: bonds (distance) C4'-P energy: -44.060 bonds (distance) P-C4' energy: -53.570 flat angles C4'-P-C4' energy: -51.830 flat angles P-C4'-P energy: -37.510 tors. eta vs tors. theta energy: -30.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -319.014001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -319.014001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -319.014001 (E_RNA) where: Base-Base interactions energy: -140.576 where: short stacking energy: -96.860 Base-Backbone interact. energy: -1.906 local terms energy: -176.532379 where: bonds (distance) C4'-P energy: -55.271 bonds (distance) P-C4' energy: -51.399 flat angles C4'-P-C4' energy: -42.213 flat angles P-C4'-P energy: -28.957 tors. eta vs tors. theta energy: 1.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -1124.670265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.670265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.670265 (E_RNA) where: Base-Base interactions energy: -765.082 where: short stacking energy: -329.627 Base-Backbone interact. energy: -1.991 local terms energy: -357.597630 where: bonds (distance) C4'-P energy: -72.031 bonds (distance) P-C4' energy: -70.695 flat angles C4'-P-C4' energy: -69.758 flat angles P-C4'-P energy: -43.606 tors. eta vs tors. theta energy: -101.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -1025.398205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.398205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.398205 (E_RNA) where: Base-Base interactions energy: -697.811 where: short stacking energy: -296.492 Base-Backbone interact. energy: 0.251 local terms energy: -327.838912 where: bonds (distance) C4'-P energy: -58.456 bonds (distance) P-C4' energy: -64.465 flat angles C4'-P-C4' energy: -71.575 flat angles P-C4'-P energy: -50.197 tors. eta vs tors. theta energy: -83.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -1055.609005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.609005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.609005 (E_RNA) where: Base-Base interactions energy: -738.785 where: short stacking energy: -314.503 Base-Backbone interact. energy: -2.564 local terms energy: -314.260039 where: bonds (distance) C4'-P energy: -53.269 bonds (distance) P-C4' energy: -61.581 flat angles C4'-P-C4' energy: -68.788 flat angles P-C4'-P energy: -44.024 tors. eta vs tors. theta energy: -86.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -916.962427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.962427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.962427 (E_RNA) where: Base-Base interactions energy: -614.079 where: short stacking energy: -278.364 Base-Backbone interact. energy: -0.421 local terms energy: -302.462795 where: bonds (distance) C4'-P energy: -48.891 bonds (distance) P-C4' energy: -64.405 flat angles C4'-P-C4' energy: -66.495 flat angles P-C4'-P energy: -44.465 tors. eta vs tors. theta energy: -78.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -821.005343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.005343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.005343 (E_RNA) where: Base-Base interactions energy: -540.580 where: short stacking energy: -243.579 Base-Backbone interact. energy: 0.724 local terms energy: -281.149389 where: bonds (distance) C4'-P energy: -66.360 bonds (distance) P-C4' energy: -64.238 flat angles C4'-P-C4' energy: -64.225 flat angles P-C4'-P energy: -22.910 tors. eta vs tors. theta energy: -63.417 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: 10 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -746.873185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.873185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.873185 (E_RNA) where: Base-Base interactions energy: -482.497 where: short stacking energy: -229.036 Base-Backbone interact. energy: -1.336 local terms energy: -263.040033 where: bonds (distance) C4'-P energy: -50.079 bonds (distance) P-C4' energy: -61.599 flat angles C4'-P-C4' energy: -59.151 flat angles P-C4'-P energy: -38.355 tors. eta vs tors. theta energy: -53.856 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: 5 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -645.059363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.059363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.059363 (E_RNA) where: Base-Base interactions energy: -385.933 where: short stacking energy: -174.692 Base-Backbone interact. energy: 0.340 local terms energy: -259.466486 where: bonds (distance) C4'-P energy: -61.272 bonds (distance) P-C4' energy: -61.638 flat angles C4'-P-C4' energy: -65.742 flat angles P-C4'-P energy: -43.636 tors. eta vs tors. theta energy: -27.178 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: 7 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -582.539428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.539428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.539428 (E_RNA) where: Base-Base interactions energy: -360.015 where: short stacking energy: -166.063 Base-Backbone interact. energy: -0.574 local terms energy: -221.950519 where: bonds (distance) C4'-P energy: -53.573 bonds (distance) P-C4' energy: -54.229 flat angles C4'-P-C4' energy: -52.398 flat angles P-C4'-P energy: -40.388 tors. eta vs tors. theta energy: -21.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -607.468680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.468680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.468680 (E_RNA) where: Base-Base interactions energy: -372.155 where: short stacking energy: -174.561 Base-Backbone interact. energy: -2.442 local terms energy: -232.872349 where: bonds (distance) C4'-P energy: -49.612 bonds (distance) P-C4' energy: -54.572 flat angles C4'-P-C4' energy: -67.910 flat angles P-C4'-P energy: -30.503 tors. eta vs tors. theta energy: -30.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -273.478014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.478014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.478014 (E_RNA) where: Base-Base interactions energy: -123.229 where: short stacking energy: -93.718 Base-Backbone interact. energy: -1.010 local terms energy: -149.238774 where: bonds (distance) C4'-P energy: -50.810 bonds (distance) P-C4' energy: -35.463 flat angles C4'-P-C4' energy: -39.209 flat angles P-C4'-P energy: -32.050 tors. eta vs tors. theta energy: 8.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -1127.464740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.464740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.464740 (E_RNA) where: Base-Base interactions energy: -766.451 where: short stacking energy: -339.721 Base-Backbone interact. energy: -3.783 local terms energy: -357.230282 where: bonds (distance) C4'-P energy: -72.813 bonds (distance) P-C4' energy: -63.575 flat angles C4'-P-C4' energy: -70.670 flat angles P-C4'-P energy: -50.599 tors. eta vs tors. theta energy: -99.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 100 Temperature: 0.950000 Total energy: -1033.416563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.416563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.416563 (E_RNA) where: Base-Base interactions energy: -695.325 where: short stacking energy: -296.635 Base-Backbone interact. energy: -2.945 local terms energy: -335.146867 where: bonds (distance) C4'-P energy: -68.574 bonds (distance) P-C4' energy: -65.874 flat angles C4'-P-C4' energy: -66.321 flat angles P-C4'-P energy: -54.742 tors. eta vs tors. theta energy: -79.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -1049.703339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.703339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.703339 (E_RNA) where: Base-Base interactions energy: -737.568 where: short stacking energy: -298.550 Base-Backbone interact. energy: -2.972 local terms energy: -309.163407 where: bonds (distance) C4'-P energy: -63.551 bonds (distance) P-C4' energy: -57.430 flat angles C4'-P-C4' energy: -64.005 flat angles P-C4'-P energy: -41.117 tors. eta vs tors. theta energy: -83.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -908.317529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.317529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.317529 (E_RNA) where: Base-Base interactions energy: -587.508 where: short stacking energy: -275.026 Base-Backbone interact. energy: -1.552 local terms energy: -319.257504 where: bonds (distance) C4'-P energy: -54.759 bonds (distance) P-C4' energy: -61.882 flat angles C4'-P-C4' energy: -72.992 flat angles P-C4'-P energy: -53.952 tors. eta vs tors. theta energy: -75.672 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: 2 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -828.564391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.564391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.564391 (E_RNA) where: Base-Base interactions energy: -549.197 where: short stacking energy: -222.608 Base-Backbone interact. energy: -2.125 local terms energy: -277.241995 where: bonds (distance) C4'-P energy: -58.447 bonds (distance) P-C4' energy: -51.492 flat angles C4'-P-C4' energy: -68.517 flat angles P-C4'-P energy: -42.319 tors. eta vs tors. theta energy: -56.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -799.641678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.641678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.641678 (E_RNA) where: Base-Base interactions energy: -514.956 where: short stacking energy: -242.626 Base-Backbone interact. energy: -3.618 local terms energy: -281.067838 where: bonds (distance) C4'-P energy: -60.067 bonds (distance) P-C4' energy: -66.647 flat angles C4'-P-C4' energy: -65.470 flat angles P-C4'-P energy: -37.168 tors. eta vs tors. theta energy: -51.716 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: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -614.029490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.029490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.029490 (E_RNA) where: Base-Base interactions energy: -381.889 where: short stacking energy: -164.956 Base-Backbone interact. energy: 0.219 local terms energy: -232.358797 where: bonds (distance) C4'-P energy: -57.798 bonds (distance) P-C4' energy: -60.823 flat angles C4'-P-C4' energy: -54.002 flat angles P-C4'-P energy: -29.620 tors. eta vs tors. theta energy: -30.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -631.997512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.997512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.997512 (E_RNA) where: Base-Base interactions energy: -397.416 where: short stacking energy: -193.980 Base-Backbone interact. energy: -0.374 local terms energy: -234.207453 where: bonds (distance) C4'-P energy: -53.428 bonds (distance) P-C4' energy: -46.785 flat angles C4'-P-C4' energy: -64.236 flat angles P-C4'-P energy: -35.406 tors. eta vs tors. theta energy: -34.352 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: 9 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -558.155567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.155567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.155567 (E_RNA) where: Base-Base interactions energy: -325.317 where: short stacking energy: -146.075 Base-Backbone interact. energy: -1.288 local terms energy: -231.550276 where: bonds (distance) C4'-P energy: -52.244 bonds (distance) P-C4' energy: -58.702 flat angles C4'-P-C4' energy: -54.172 flat angles P-C4'-P energy: -30.824 tors. eta vs tors. theta energy: -35.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -295.100378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -295.100378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -295.100378 (E_RNA) where: Base-Base interactions energy: -118.004 where: short stacking energy: -94.306 Base-Backbone interact. energy: 3.105 local terms energy: -180.201413 where: bonds (distance) C4'-P energy: -52.930 bonds (distance) P-C4' energy: -45.777 flat angles C4'-P-C4' energy: -57.895 flat angles P-C4'-P energy: -25.036 tors. eta vs tors. theta energy: 1.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -1135.492498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.492498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.492498 (E_RNA) where: Base-Base interactions energy: -769.283 where: short stacking energy: -325.733 Base-Backbone interact. energy: -3.150 local terms energy: -363.059332 where: bonds (distance) C4'-P energy: -73.503 bonds (distance) P-C4' energy: -71.482 flat angles C4'-P-C4' energy: -77.810 flat angles P-C4'-P energy: -50.600 tors. eta vs tors. theta energy: -89.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -1091.839093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.839093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.839093 (E_RNA) where: Base-Base interactions energy: -759.450 where: short stacking energy: -303.075 Base-Backbone interact. energy: -1.568 local terms energy: -330.820720 where: bonds (distance) C4'-P energy: -68.504 bonds (distance) P-C4' energy: -63.748 flat angles C4'-P-C4' energy: -69.574 flat angles P-C4'-P energy: -46.615 tors. eta vs tors. theta energy: -82.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -1001.069123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.069123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.069123 (E_RNA) where: Base-Base interactions energy: -698.824 where: short stacking energy: -291.231 Base-Backbone interact. energy: -1.763 local terms energy: -300.482848 where: bonds (distance) C4'-P energy: -59.168 bonds (distance) P-C4' energy: -70.803 flat angles C4'-P-C4' energy: -56.334 flat angles P-C4'-P energy: -42.495 tors. eta vs tors. theta energy: -71.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -849.008599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.008599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.008599 (E_RNA) where: Base-Base interactions energy: -567.918 where: short stacking energy: -219.126 Base-Backbone interact. energy: -2.638 local terms energy: -278.452598 where: bonds (distance) C4'-P energy: -62.068 bonds (distance) P-C4' energy: -54.825 flat angles C4'-P-C4' energy: -56.221 flat angles P-C4'-P energy: -46.592 tors. eta vs tors. theta energy: -58.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -877.647710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.647710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.647710 (E_RNA) where: Base-Base interactions energy: -579.895 where: short stacking energy: -243.230 Base-Backbone interact. energy: 2.866 local terms energy: -300.618904 where: bonds (distance) C4'-P energy: -58.972 bonds (distance) P-C4' energy: -72.460 flat angles C4'-P-C4' energy: -68.016 flat angles P-C4'-P energy: -45.510 tors. eta vs tors. theta energy: -55.661 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: 10 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -789.319364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.319364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.319364 (E_RNA) where: Base-Base interactions energy: -522.153 where: short stacking energy: -229.136 Base-Backbone interact. energy: -0.588 local terms energy: -266.578446 where: bonds (distance) C4'-P energy: -63.124 bonds (distance) P-C4' energy: -58.013 flat angles C4'-P-C4' energy: -55.673 flat angles P-C4'-P energy: -29.128 tors. eta vs tors. theta energy: -60.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 101 Temperature: 1.200000 Total energy: -606.779803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.779803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.779803 (E_RNA) where: Base-Base interactions energy: -361.502 where: short stacking energy: -180.348 Base-Backbone interact. energy: -1.339 local terms energy: -243.938698 where: bonds (distance) C4'-P energy: -46.268 bonds (distance) P-C4' energy: -58.366 flat angles C4'-P-C4' energy: -63.747 flat angles P-C4'-P energy: -30.979 tors. eta vs tors. theta energy: -44.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -612.327868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.327868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.327868 (E_RNA) where: Base-Base interactions energy: -416.142 where: short stacking energy: -183.149 Base-Backbone interact. energy: -0.666 local terms energy: -195.519750 where: bonds (distance) C4'-P energy: -46.973 bonds (distance) P-C4' energy: -47.966 flat angles C4'-P-C4' energy: -51.417 flat angles P-C4'-P energy: -19.892 tors. eta vs tors. theta energy: -29.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -519.903497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.903497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.903497 (E_RNA) where: Base-Base interactions energy: -310.757 where: short stacking energy: -141.677 Base-Backbone interact. energy: -2.672 local terms energy: -206.474162 where: bonds (distance) C4'-P energy: -62.881 bonds (distance) P-C4' energy: -62.870 flat angles C4'-P-C4' energy: -52.750 flat angles P-C4'-P energy: -13.152 tors. eta vs tors. theta energy: -14.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -303.266800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -303.266800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -303.266800 (E_RNA) where: Base-Base interactions energy: -147.456 where: short stacking energy: -83.487 Base-Backbone interact. energy: 5.350 local terms energy: -161.160969 where: bonds (distance) C4'-P energy: -47.353 bonds (distance) P-C4' energy: -54.317 flat angles C4'-P-C4' energy: -47.910 flat angles P-C4'-P energy: -28.417 tors. eta vs tors. theta energy: 16.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -1147.022994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.022994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.022994 (E_RNA) where: Base-Base interactions energy: -792.053 where: short stacking energy: -341.340 Base-Backbone interact. energy: -0.625 local terms energy: -354.345614 where: bonds (distance) C4'-P energy: -61.543 bonds (distance) P-C4' energy: -72.476 flat angles C4'-P-C4' energy: -70.426 flat angles P-C4'-P energy: -53.653 tors. eta vs tors. theta energy: -96.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -1102.537460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.537460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.537460 (E_RNA) where: Base-Base interactions energy: -747.565 where: short stacking energy: -299.431 Base-Backbone interact. energy: -0.719 local terms energy: -354.252948 where: bonds (distance) C4'-P energy: -64.461 bonds (distance) P-C4' energy: -69.633 flat angles C4'-P-C4' energy: -72.060 flat angles P-C4'-P energy: -50.656 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: 3, replica: 1 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -1008.497677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.497677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.497677 (E_RNA) where: Base-Base interactions energy: -709.779 where: short stacking energy: -277.224 Base-Backbone interact. energy: -3.682 local terms energy: -295.037226 where: bonds (distance) C4'-P energy: -55.018 bonds (distance) P-C4' energy: -44.848 flat angles C4'-P-C4' energy: -72.348 flat angles P-C4'-P energy: -47.586 tors. eta vs tors. theta energy: -75.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -862.325443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.325443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.325443 (E_RNA) where: Base-Base interactions energy: -577.958 where: short stacking energy: -226.728 Base-Backbone interact. energy: -2.753 local terms energy: -281.614199 where: bonds (distance) C4'-P energy: -57.104 bonds (distance) P-C4' energy: -56.349 flat angles C4'-P-C4' energy: -73.582 flat angles P-C4'-P energy: -47.747 tors. eta vs tors. theta energy: -46.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -889.515706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -889.515706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -889.515706 (E_RNA) where: Base-Base interactions energy: -590.600 where: short stacking energy: -256.788 Base-Backbone interact. energy: -1.565 local terms energy: -297.350266 where: bonds (distance) C4'-P energy: -53.937 bonds (distance) P-C4' energy: -63.753 flat angles C4'-P-C4' energy: -68.009 flat angles P-C4'-P energy: -42.955 tors. eta vs tors. theta energy: -68.697 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: 10 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -808.374993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.374993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.374993 (E_RNA) where: Base-Base interactions energy: -520.819 where: short stacking energy: -235.007 Base-Backbone interact. energy: -1.460 local terms energy: -286.096191 where: bonds (distance) C4'-P energy: -68.653 bonds (distance) P-C4' energy: -65.604 flat angles C4'-P-C4' energy: -66.977 flat angles P-C4'-P energy: -27.708 tors. eta vs tors. theta energy: -57.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -643.541106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.541106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.541106 (E_RNA) where: Base-Base interactions energy: -419.944 where: short stacking energy: -200.487 Base-Backbone interact. energy: 0.074 local terms energy: -223.670802 where: bonds (distance) C4'-P energy: -43.744 bonds (distance) P-C4' energy: -50.321 flat angles C4'-P-C4' energy: -59.543 flat angles P-C4'-P energy: -35.111 tors. eta vs tors. theta energy: -34.952 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: 7 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -567.240896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.240896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.240896 (E_RNA) where: Base-Base interactions energy: -335.311 where: short stacking energy: -157.028 Base-Backbone interact. energy: -3.065 local terms energy: -228.865326 where: bonds (distance) C4'-P energy: -50.878 bonds (distance) P-C4' energy: -56.118 flat angles C4'-P-C4' energy: -61.810 flat angles P-C4'-P energy: -31.366 tors. eta vs tors. theta energy: -28.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -517.797162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.797162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.797162 (E_RNA) where: Base-Base interactions energy: -308.176 where: short stacking energy: -141.522 Base-Backbone interact. energy: 0.186 local terms energy: -209.806514 where: bonds (distance) C4'-P energy: -47.655 bonds (distance) P-C4' energy: -61.354 flat angles C4'-P-C4' energy: -42.521 flat angles P-C4'-P energy: -43.007 tors. eta vs tors. theta energy: -15.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -325.295832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.295832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.295832 (E_RNA) where: Base-Base interactions energy: -135.560 where: short stacking energy: -95.003 Base-Backbone interact. energy: -0.300 local terms energy: -189.435776 where: bonds (distance) C4'-P energy: -63.775 bonds (distance) P-C4' energy: -56.807 flat angles C4'-P-C4' energy: -37.436 flat angles P-C4'-P energy: -25.859 tors. eta vs tors. theta energy: -5.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -1141.669252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.669252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.669252 (E_RNA) where: Base-Base interactions energy: -781.944 where: short stacking energy: -311.018 Base-Backbone interact. energy: -2.243 local terms energy: -357.482111 where: bonds (distance) C4'-P energy: -73.549 bonds (distance) P-C4' energy: -65.096 flat angles C4'-P-C4' energy: -76.858 flat angles P-C4'-P energy: -47.921 tors. eta vs tors. theta energy: -94.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -1091.588263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.588263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.588263 (E_RNA) where: Base-Base interactions energy: -751.942 where: short stacking energy: -321.571 Base-Backbone interact. energy: -2.184 local terms energy: -337.462837 where: bonds (distance) C4'-P energy: -56.848 bonds (distance) P-C4' energy: -64.337 flat angles C4'-P-C4' energy: -67.416 flat angles P-C4'-P energy: -54.222 tors. eta vs tors. theta energy: -94.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -1011.859238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.859238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.859238 (E_RNA) where: Base-Base interactions energy: -699.007 where: short stacking energy: -270.694 Base-Backbone interact. energy: -4.112 local terms energy: -308.740397 where: bonds (distance) C4'-P energy: -59.291 bonds (distance) P-C4' energy: -68.271 flat angles C4'-P-C4' energy: -65.167 flat angles P-C4'-P energy: -39.873 tors. eta vs tors. theta energy: -76.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -952.894981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.894981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.894981 (E_RNA) where: Base-Base interactions energy: -649.235 where: short stacking energy: -279.982 Base-Backbone interact. energy: 0.104 local terms energy: -303.764226 where: bonds (distance) C4'-P energy: -60.402 bonds (distance) P-C4' energy: -56.786 flat angles C4'-P-C4' energy: -71.473 flat angles P-C4'-P energy: -43.246 tors. eta vs tors. theta energy: -71.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -819.848090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.848090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.848090 (E_RNA) where: Base-Base interactions energy: -541.241 where: short stacking energy: -236.537 Base-Backbone interact. energy: -2.920 local terms energy: -275.687135 where: bonds (distance) C4'-P energy: -43.785 bonds (distance) P-C4' energy: -69.956 flat angles C4'-P-C4' energy: -58.823 flat angles P-C4'-P energy: -41.182 tors. eta vs tors. theta energy: -61.942 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: 10 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -730.645236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.645236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.645236 (E_RNA) where: Base-Base interactions energy: -461.374 where: short stacking energy: -207.264 Base-Backbone interact. energy: 0.301 local terms energy: -269.572065 where: bonds (distance) C4'-P energy: -53.560 bonds (distance) P-C4' energy: -60.509 flat angles C4'-P-C4' energy: -64.452 flat angles P-C4'-P energy: -49.036 tors. eta vs tors. theta energy: -42.015 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: 5 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -658.103129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.103129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.103129 (E_RNA) where: Base-Base interactions energy: -407.810 where: short stacking energy: -186.136 Base-Backbone interact. energy: -0.185 local terms energy: -250.108169 where: bonds (distance) C4'-P energy: -67.792 bonds (distance) P-C4' energy: -56.495 flat angles C4'-P-C4' energy: -59.314 flat angles P-C4'-P energy: -33.858 tors. eta vs tors. theta energy: -32.649 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: 7 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -576.745495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.745495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.745495 (E_RNA) where: Base-Base interactions energy: -341.465 where: short stacking energy: -179.515 Base-Backbone interact. energy: 1.900 local terms energy: -237.180210 where: bonds (distance) C4'-P energy: -57.807 bonds (distance) P-C4' energy: -57.116 flat angles C4'-P-C4' energy: -61.925 flat angles P-C4'-P energy: -37.683 tors. eta vs tors. theta energy: -22.649 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: 9 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -538.084711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.084711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.084711 (E_RNA) where: Base-Base interactions energy: -314.851 where: short stacking energy: -165.523 Base-Backbone interact. energy: 5.228 local terms energy: -228.461062 where: bonds (distance) C4'-P energy: -53.661 bonds (distance) P-C4' energy: -62.486 flat angles C4'-P-C4' energy: -54.832 flat angles P-C4'-P energy: -28.124 tors. eta vs tors. theta energy: -29.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -337.799980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -337.799980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -337.799980 (E_RNA) where: Base-Base interactions energy: -152.096 where: short stacking energy: -97.885 Base-Backbone interact. energy: -0.321 local terms energy: -185.382912 where: bonds (distance) C4'-P energy: -48.217 bonds (distance) P-C4' energy: -67.917 flat angles C4'-P-C4' energy: -46.710 flat angles P-C4'-P energy: -17.538 tors. eta vs tors. theta energy: -5.002 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: 104 Temperature: 0.900000 Total energy: -1130.608428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.608428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.608428 (E_RNA) where: Base-Base interactions energy: -776.637 where: short stacking energy: -331.451 Base-Backbone interact. energy: -2.065 local terms energy: -351.907050 where: bonds (distance) C4'-P energy: -71.879 bonds (distance) P-C4' energy: -69.327 flat angles C4'-P-C4' energy: -63.565 flat angles P-C4'-P energy: -49.872 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: 2, replica: 3 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -1048.660040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.660040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.660040 (E_RNA) where: Base-Base interactions energy: -705.885 where: short stacking energy: -299.199 Base-Backbone interact. energy: -1.109 local terms energy: -341.666205 where: bonds (distance) C4'-P energy: -60.319 bonds (distance) P-C4' energy: -68.685 flat angles C4'-P-C4' energy: -77.758 flat angles P-C4'-P energy: -48.049 tors. eta vs tors. theta energy: -86.855 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: 3, replica: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -1007.315338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.315338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.315338 (E_RNA) where: Base-Base interactions energy: -680.929 where: short stacking energy: -278.633 Base-Backbone interact. energy: -2.880 local terms energy: -323.505909 where: bonds (distance) C4'-P energy: -62.883 bonds (distance) P-C4' energy: -75.495 flat angles C4'-P-C4' energy: -60.856 flat angles P-C4'-P energy: -45.061 tors. eta vs tors. theta energy: -79.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -960.672501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.672501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.672501 (E_RNA) where: Base-Base interactions energy: -664.309 where: short stacking energy: -289.633 Base-Backbone interact. energy: 0.711 local terms energy: -297.073910 where: bonds (distance) C4'-P energy: -63.870 bonds (distance) P-C4' energy: -62.310 flat angles C4'-P-C4' energy: -62.776 flat angles P-C4'-P energy: -40.019 tors. eta vs tors. theta energy: -68.098 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: 2 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -847.591075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.591075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.591075 (E_RNA) where: Base-Base interactions energy: -569.643 where: short stacking energy: -266.341 Base-Backbone interact. energy: 1.633 local terms energy: -279.580783 where: bonds (distance) C4'-P energy: -46.651 bonds (distance) P-C4' energy: -62.503 flat angles C4'-P-C4' energy: -60.832 flat angles P-C4'-P energy: -38.567 tors. eta vs tors. theta energy: -71.029 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: 10 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -751.671004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.671004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.671004 (E_RNA) where: Base-Base interactions energy: -464.225 where: short stacking energy: -207.308 Base-Backbone interact. energy: -3.920 local terms energy: -283.525194 where: bonds (distance) C4'-P energy: -55.278 bonds (distance) P-C4' energy: -61.782 flat angles C4'-P-C4' energy: -70.821 flat angles P-C4'-P energy: -48.475 tors. eta vs tors. theta energy: -47.169 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: 5 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -642.516700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.516700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.516700 (E_RNA) where: Base-Base interactions energy: -394.734 where: short stacking energy: -194.921 Base-Backbone interact. energy: -1.080 local terms energy: -246.702980 where: bonds (distance) C4'-P energy: -55.796 bonds (distance) P-C4' energy: -56.919 flat angles C4'-P-C4' energy: -47.779 flat angles P-C4'-P energy: -42.715 tors. eta vs tors. theta energy: -43.495 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: 8, replica: 7 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -593.805963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.805963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.805963 (E_RNA) where: Base-Base interactions energy: -343.821 where: short stacking energy: -165.440 Base-Backbone interact. energy: -1.743 local terms energy: -248.241976 where: bonds (distance) C4'-P energy: -63.253 bonds (distance) P-C4' energy: -56.326 flat angles C4'-P-C4' energy: -52.620 flat angles P-C4'-P energy: -44.714 tors. eta vs tors. theta energy: -31.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -550.597154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -550.597154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -550.597154 (E_RNA) where: Base-Base interactions energy: -341.543 where: short stacking energy: -151.718 Base-Backbone interact. energy: -1.142 local terms energy: -207.912845 where: bonds (distance) C4'-P energy: -49.630 bonds (distance) P-C4' energy: -60.547 flat angles C4'-P-C4' energy: -47.236 flat angles P-C4'-P energy: -40.455 tors. eta vs tors. theta energy: -10.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -317.916867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -317.916867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -317.916867 (E_RNA) where: Base-Base interactions energy: -126.730 where: short stacking energy: -80.247 Base-Backbone interact. energy: -0.376 local terms energy: -190.811108 where: bonds (distance) C4'-P energy: -55.687 bonds (distance) P-C4' energy: -59.024 flat angles C4'-P-C4' energy: -54.119 flat angles P-C4'-P energy: -30.637 tors. eta vs tors. theta energy: 8.655 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: 8 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -1133.643547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.643547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.643547 (E_RNA) where: Base-Base interactions energy: -783.154 where: short stacking energy: -325.327 Base-Backbone interact. energy: -0.072 local terms energy: -350.417574 where: bonds (distance) C4'-P energy: -62.495 bonds (distance) P-C4' energy: -67.684 flat angles C4'-P-C4' energy: -75.937 flat angles P-C4'-P energy: -49.814 tors. eta vs tors. theta energy: -94.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -1026.145150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.145150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.145150 (E_RNA) where: Base-Base interactions energy: -695.812 where: short stacking energy: -298.650 Base-Backbone interact. energy: -3.956 local terms energy: -326.376812 where: bonds (distance) C4'-P energy: -65.118 bonds (distance) P-C4' energy: -66.830 flat angles C4'-P-C4' energy: -70.958 flat angles P-C4'-P energy: -52.704 tors. eta vs tors. theta energy: -70.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -1047.108818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.108818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.108818 (E_RNA) where: Base-Base interactions energy: -728.621 where: short stacking energy: -300.436 Base-Backbone interact. energy: -0.192 local terms energy: -318.296605 where: bonds (distance) C4'-P energy: -59.903 bonds (distance) P-C4' energy: -67.089 flat angles C4'-P-C4' energy: -63.837 flat angles P-C4'-P energy: -48.425 tors. eta vs tors. theta energy: -79.042 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: 6 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -965.131334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.131334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.131334 (E_RNA) where: Base-Base interactions energy: -655.289 where: short stacking energy: -272.667 Base-Backbone interact. energy: -1.769 local terms energy: -308.072989 where: bonds (distance) C4'-P energy: -53.826 bonds (distance) P-C4' energy: -63.921 flat angles C4'-P-C4' energy: -67.411 flat angles P-C4'-P energy: -52.951 tors. eta vs tors. theta energy: -69.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -851.850237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.850237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.850237 (E_RNA) where: Base-Base interactions energy: -556.217 where: short stacking energy: -236.397 Base-Backbone interact. energy: -3.950 local terms energy: -291.683495 where: bonds (distance) C4'-P energy: -64.140 bonds (distance) P-C4' energy: -59.508 flat angles C4'-P-C4' energy: -65.263 flat angles P-C4'-P energy: -42.681 tors. eta vs tors. theta energy: -60.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -756.446353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.446353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.446353 (E_RNA) where: Base-Base interactions energy: -489.855 where: short stacking energy: -235.031 Base-Backbone interact. energy: 3.382 local terms energy: -269.972860 where: bonds (distance) C4'-P energy: -52.304 bonds (distance) P-C4' energy: -60.391 flat angles C4'-P-C4' energy: -59.016 flat angles P-C4'-P energy: -41.234 tors. eta vs tors. theta energy: -57.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -638.232188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.232188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.232188 (E_RNA) where: Base-Base interactions energy: -386.349 where: short stacking energy: -183.185 Base-Backbone interact. energy: -1.384 local terms energy: -250.499397 where: bonds (distance) C4'-P energy: -60.428 bonds (distance) P-C4' energy: -59.092 flat angles C4'-P-C4' energy: -61.154 flat angles P-C4'-P energy: -37.874 tors. eta vs tors. theta energy: -31.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -607.495531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.495531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.495531 (E_RNA) where: Base-Base interactions energy: -408.284 where: short stacking energy: -168.035 Base-Backbone interact. energy: -0.611 local terms energy: -198.600842 where: bonds (distance) C4'-P energy: -43.520 bonds (distance) P-C4' energy: -36.990 flat angles C4'-P-C4' energy: -55.576 flat angles P-C4'-P energy: -29.932 tors. eta vs tors. theta energy: -32.583 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: 9, replica: 7 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -531.034636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.034636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.034636 (E_RNA) where: Base-Base interactions energy: -317.341 where: short stacking energy: -155.633 Base-Backbone interact. energy: 0.266 local terms energy: -213.959631 where: bonds (distance) C4'-P energy: -61.386 bonds (distance) P-C4' energy: -47.077 flat angles C4'-P-C4' energy: -49.111 flat angles P-C4'-P energy: -29.948 tors. eta vs tors. theta energy: -26.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -333.498171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -333.498171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -333.498171 (E_RNA) where: Base-Base interactions energy: -146.433 where: short stacking energy: -94.552 Base-Backbone interact. energy: 0.955 local terms energy: -188.020826 where: bonds (distance) C4'-P energy: -37.618 bonds (distance) P-C4' energy: -66.537 flat angles C4'-P-C4' energy: -43.152 flat angles P-C4'-P energy: -30.392 tors. eta vs tors. theta energy: -10.322 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: 8 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -1134.512249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.512249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.512249 (E_RNA) where: Base-Base interactions energy: -786.708 where: short stacking energy: -333.650 Base-Backbone interact. energy: -0.552 local terms energy: -347.251893 where: bonds (distance) C4'-P energy: -75.739 bonds (distance) P-C4' energy: -68.492 flat angles C4'-P-C4' energy: -68.335 flat angles P-C4'-P energy: -46.212 tors. eta vs tors. theta energy: -88.474 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: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -1008.411855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.411855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.411855 (E_RNA) where: Base-Base interactions energy: -675.971 where: short stacking energy: -272.355 Base-Backbone interact. energy: -1.570 local terms energy: -330.871214 where: bonds (distance) C4'-P energy: -64.328 bonds (distance) P-C4' energy: -72.569 flat angles C4'-P-C4' energy: -64.723 flat angles P-C4'-P energy: -54.590 tors. eta vs tors. theta energy: -74.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -1036.237953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.237953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.237953 (E_RNA) where: Base-Base interactions energy: -736.209 where: short stacking energy: -288.523 Base-Backbone interact. energy: 1.806 local terms energy: -301.835722 where: bonds (distance) C4'-P energy: -49.279 bonds (distance) P-C4' energy: -56.726 flat angles C4'-P-C4' energy: -73.578 flat angles P-C4'-P energy: -36.688 tors. eta vs tors. theta energy: -85.565 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: 6 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -1003.796434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.796434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.796434 (E_RNA) where: Base-Base interactions energy: -685.991 where: short stacking energy: -305.317 Base-Backbone interact. energy: -1.193 local terms energy: -316.612988 where: bonds (distance) C4'-P energy: -66.735 bonds (distance) P-C4' energy: -61.213 flat angles C4'-P-C4' energy: -77.936 flat angles P-C4'-P energy: -31.861 tors. eta vs tors. theta energy: -78.868 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: 2 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -855.230437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.230437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.230437 (E_RNA) where: Base-Base interactions energy: -555.239 where: short stacking energy: -222.604 Base-Backbone interact. energy: -2.371 local terms energy: -297.620717 where: bonds (distance) C4'-P energy: -56.439 bonds (distance) P-C4' energy: -61.407 flat angles C4'-P-C4' energy: -69.040 flat angles P-C4'-P energy: -45.779 tors. eta vs tors. theta energy: -64.955 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: 6, replica: 10 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -734.403448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.403448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.403448 (E_RNA) where: Base-Base interactions energy: -447.938 where: short stacking energy: -195.210 Base-Backbone interact. energy: -0.183 local terms energy: -286.282292 where: bonds (distance) C4'-P energy: -58.463 bonds (distance) P-C4' energy: -59.854 flat angles C4'-P-C4' energy: -68.707 flat angles P-C4'-P energy: -46.947 tors. eta vs tors. theta energy: -52.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -651.635582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.635582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.635582 (E_RNA) where: Base-Base interactions energy: -416.817 where: short stacking energy: -178.265 Base-Backbone interact. energy: -1.228 local terms energy: -233.589901 where: bonds (distance) C4'-P energy: -56.425 bonds (distance) P-C4' energy: -56.329 flat angles C4'-P-C4' energy: -60.681 flat angles P-C4'-P energy: -25.640 tors. eta vs tors. theta energy: -34.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -578.475414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.475414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.475414 (E_RNA) where: Base-Base interactions energy: -353.157 where: short stacking energy: -162.670 Base-Backbone interact. energy: 0.763 local terms energy: -226.081716 where: bonds (distance) C4'-P energy: -54.870 bonds (distance) P-C4' energy: -52.287 flat angles C4'-P-C4' energy: -55.202 flat angles P-C4'-P energy: -39.920 tors. eta vs tors. theta energy: -23.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -542.756094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.756094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.756094 (E_RNA) where: Base-Base interactions energy: -315.836 where: short stacking energy: -153.389 Base-Backbone interact. energy: 2.250 local terms energy: -229.170137 where: bonds (distance) C4'-P energy: -44.412 bonds (distance) P-C4' energy: -63.976 flat angles C4'-P-C4' energy: -63.664 flat angles P-C4'-P energy: -28.881 tors. eta vs tors. theta energy: -28.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -328.176283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.176283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.176283 (E_RNA) where: Base-Base interactions energy: -150.078 where: short stacking energy: -105.258 Base-Backbone interact. energy: -0.524 local terms energy: -177.574409 where: bonds (distance) C4'-P energy: -48.386 bonds (distance) P-C4' energy: -65.669 flat angles C4'-P-C4' energy: -45.727 flat angles P-C4'-P energy: -15.489 tors. eta vs tors. theta energy: -2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -1145.140170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.140170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.140170 (E_RNA) where: Base-Base interactions energy: -797.897 where: short stacking energy: -350.078 Base-Backbone interact. energy: -0.655 local terms energy: -346.587573 where: bonds (distance) C4'-P energy: -56.430 bonds (distance) P-C4' energy: -65.217 flat angles C4'-P-C4' energy: -73.737 flat angles P-C4'-P energy: -51.969 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: 2, replica: 1 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -989.542798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.542798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.542798 (E_RNA) where: Base-Base interactions energy: -669.684 where: short stacking energy: -286.605 Base-Backbone interact. energy: -1.312 local terms energy: -318.546337 where: bonds (distance) C4'-P energy: -61.534 bonds (distance) P-C4' energy: -68.994 flat angles C4'-P-C4' energy: -70.973 flat angles P-C4'-P energy: -50.090 tors. eta vs tors. theta energy: -66.955 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: 3 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -1038.047873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.047873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.047873 (E_RNA) where: Base-Base interactions energy: -716.896 where: short stacking energy: -287.130 Base-Backbone interact. energy: -1.247 local terms energy: -319.904348 where: bonds (distance) C4'-P energy: -58.546 bonds (distance) P-C4' energy: -67.288 flat angles C4'-P-C4' energy: -63.142 flat angles P-C4'-P energy: -50.291 tors. eta vs tors. theta energy: -80.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -977.506868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.506868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.506868 (E_RNA) where: Base-Base interactions energy: -648.355 where: short stacking energy: -267.324 Base-Backbone interact. energy: 0.679 local terms energy: -329.831219 where: bonds (distance) C4'-P energy: -70.970 bonds (distance) P-C4' energy: -63.041 flat angles C4'-P-C4' energy: -74.375 flat angles P-C4'-P energy: -40.874 tors. eta vs tors. theta energy: -80.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -835.323762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.323762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.323762 (E_RNA) where: Base-Base interactions energy: -570.050 where: short stacking energy: -229.619 Base-Backbone interact. energy: -0.804 local terms energy: -264.470182 where: bonds (distance) C4'-P energy: -49.384 bonds (distance) P-C4' energy: -58.691 flat angles C4'-P-C4' energy: -65.578 flat angles P-C4'-P energy: -35.223 tors. eta vs tors. theta energy: -55.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -701.589150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.589150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.589150 (E_RNA) where: Base-Base interactions energy: -444.468 where: short stacking energy: -208.580 Base-Backbone interact. energy: -0.529 local terms energy: -256.592590 where: bonds (distance) C4'-P energy: -62.842 bonds (distance) P-C4' energy: -54.083 flat angles C4'-P-C4' energy: -48.963 flat angles P-C4'-P energy: -45.296 tors. eta vs tors. theta energy: -45.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -643.278653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.278653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.278653 (E_RNA) where: Base-Base interactions energy: -408.967 where: short stacking energy: -177.582 Base-Backbone interact. energy: -1.935 local terms energy: -232.376140 where: bonds (distance) C4'-P energy: -44.359 bonds (distance) P-C4' energy: -62.992 flat angles C4'-P-C4' energy: -58.895 flat angles P-C4'-P energy: -37.395 tors. eta vs tors. theta energy: -28.735 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: 9 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -551.978357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.978357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.978357 (E_RNA) where: Base-Base interactions energy: -326.637 where: short stacking energy: -156.601 Base-Backbone interact. energy: -0.038 local terms energy: -225.303355 where: bonds (distance) C4'-P energy: -49.608 bonds (distance) P-C4' energy: -56.592 flat angles C4'-P-C4' energy: -53.920 flat angles P-C4'-P energy: -37.155 tors. eta vs tors. theta energy: -28.029 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: 7 ===================================== Write number: 107 Temperature: 1.300000 Total energy: -548.269504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.269504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.269504 (E_RNA) where: Base-Base interactions energy: -334.453 where: short stacking energy: -171.914 Base-Backbone interact. energy: 1.562 local terms energy: -215.377977 where: bonds (distance) C4'-P energy: -48.929 bonds (distance) P-C4' energy: -42.235 flat angles C4'-P-C4' energy: -63.867 flat angles P-C4'-P energy: -32.879 tors. eta vs tors. theta energy: -27.469 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: 4 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -328.779619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -328.779619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -328.779619 (E_RNA) where: Base-Base interactions energy: -134.407 where: short stacking energy: -74.615 Base-Backbone interact. energy: 1.616 local terms energy: -195.988977 where: bonds (distance) C4'-P energy: -54.947 bonds (distance) P-C4' energy: -60.513 flat angles C4'-P-C4' energy: -45.227 flat angles P-C4'-P energy: -41.457 tors. eta vs tors. theta energy: 6.155 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: 1, replica: 8 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -1125.314693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.314693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.314693 (E_RNA) where: Base-Base interactions energy: -767.740 where: short stacking energy: -331.183 Base-Backbone interact. energy: -1.156 local terms energy: -356.418599 where: bonds (distance) C4'-P energy: -74.986 bonds (distance) P-C4' energy: -67.077 flat angles C4'-P-C4' energy: -71.235 flat angles P-C4'-P energy: -52.985 tors. eta vs tors. theta energy: -90.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -1002.718592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.718592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.718592 (E_RNA) where: Base-Base interactions energy: -678.632 where: short stacking energy: -280.193 Base-Backbone interact. energy: -2.369 local terms energy: -321.717368 where: bonds (distance) C4'-P energy: -62.677 bonds (distance) P-C4' energy: -67.647 flat angles C4'-P-C4' energy: -77.400 flat angles P-C4'-P energy: -50.941 tors. eta vs tors. theta energy: -63.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -999.668532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.668532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.668532 (E_RNA) where: Base-Base interactions energy: -677.229 where: short stacking energy: -296.563 Base-Backbone interact. energy: -1.845 local terms energy: -320.594793 where: bonds (distance) C4'-P energy: -58.507 bonds (distance) P-C4' energy: -62.203 flat angles C4'-P-C4' energy: -68.472 flat angles P-C4'-P energy: -42.722 tors. eta vs tors. theta energy: -88.691 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: 108 Temperature: 1.050000 Total energy: -1025.554216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.554216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.554216 (E_RNA) where: Base-Base interactions energy: -710.496 where: short stacking energy: -276.272 Base-Backbone interact. energy: -4.154 local terms energy: -310.904546 where: bonds (distance) C4'-P energy: -50.806 bonds (distance) P-C4' energy: -70.764 flat angles C4'-P-C4' energy: -64.826 flat angles P-C4'-P energy: -48.397 tors. eta vs tors. theta energy: -76.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -892.412664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.412664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.412664 (E_RNA) where: Base-Base interactions energy: -604.878 where: short stacking energy: -265.480 Base-Backbone interact. energy: -2.319 local terms energy: -285.215091 where: bonds (distance) C4'-P energy: -39.639 bonds (distance) P-C4' energy: -65.824 flat angles C4'-P-C4' energy: -64.556 flat angles P-C4'-P energy: -46.845 tors. eta vs tors. theta energy: -68.352 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: 6, replica: 10 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -711.088999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.088999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.088999 (E_RNA) where: Base-Base interactions energy: -461.760 where: short stacking energy: -213.779 Base-Backbone interact. energy: -1.396 local terms energy: -247.932618 where: bonds (distance) C4'-P energy: -53.040 bonds (distance) P-C4' energy: -52.906 flat angles C4'-P-C4' energy: -56.601 flat angles P-C4'-P energy: -34.516 tors. eta vs tors. theta energy: -50.869 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: 5 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -616.412423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.412423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.412423 (E_RNA) where: Base-Base interactions energy: -375.904 where: short stacking energy: -164.820 Base-Backbone interact. energy: -1.055 local terms energy: -239.454028 where: bonds (distance) C4'-P energy: -58.898 bonds (distance) P-C4' energy: -58.090 flat angles C4'-P-C4' energy: -62.283 flat angles P-C4'-P energy: -40.150 tors. eta vs tors. theta energy: -20.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -570.578357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.578357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.578357 (E_RNA) where: Base-Base interactions energy: -361.481 where: short stacking energy: -172.950 Base-Backbone interact. energy: -1.045 local terms energy: -208.052159 where: bonds (distance) C4'-P energy: -55.595 bonds (distance) P-C4' energy: -44.955 flat angles C4'-P-C4' energy: -56.042 flat angles P-C4'-P energy: -22.255 tors. eta vs tors. theta energy: -29.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -530.391442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.391442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.391442 (E_RNA) where: Base-Base interactions energy: -309.283 where: short stacking energy: -147.868 Base-Backbone interact. energy: 0.088 local terms energy: -221.196964 where: bonds (distance) C4'-P energy: -52.601 bonds (distance) P-C4' energy: -58.738 flat angles C4'-P-C4' energy: -61.121 flat angles P-C4'-P energy: -33.555 tors. eta vs tors. theta energy: -15.182 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: 4 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -344.361043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.361043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.361043 (E_RNA) where: Base-Base interactions energy: -142.947 where: short stacking energy: -91.618 Base-Backbone interact. energy: -0.257 local terms energy: -201.157603 where: bonds (distance) C4'-P energy: -56.491 bonds (distance) P-C4' energy: -59.567 flat angles C4'-P-C4' energy: -57.516 flat angles P-C4'-P energy: -31.567 tors. eta vs tors. theta energy: 3.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -1129.710226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.710226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.710226 (E_RNA) where: Base-Base interactions energy: -776.844 where: short stacking energy: -332.175 Base-Backbone interact. energy: -2.070 local terms energy: -350.796470 where: bonds (distance) C4'-P energy: -61.096 bonds (distance) P-C4' energy: -58.398 flat angles C4'-P-C4' energy: -76.746 flat angles P-C4'-P energy: -54.837 tors. eta vs tors. theta energy: -99.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -1004.353893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.353893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.353893 (E_RNA) where: Base-Base interactions energy: -705.423 where: short stacking energy: -273.217 Base-Backbone interact. energy: -3.124 local terms energy: -295.806354 where: bonds (distance) C4'-P energy: -62.563 bonds (distance) P-C4' energy: -62.871 flat angles C4'-P-C4' energy: -67.962 flat angles P-C4'-P energy: -35.628 tors. eta vs tors. theta energy: -66.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -997.919173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.919173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.919173 (E_RNA) where: Base-Base interactions energy: -661.819 where: short stacking energy: -293.172 Base-Backbone interact. energy: -0.709 local terms energy: -335.391431 where: bonds (distance) C4'-P energy: -63.766 bonds (distance) P-C4' energy: -70.895 flat angles C4'-P-C4' energy: -74.052 flat angles P-C4'-P energy: -50.905 tors. eta vs tors. theta energy: -75.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -999.175137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.175137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.175137 (E_RNA) where: Base-Base interactions energy: -669.984 where: short stacking energy: -274.184 Base-Backbone interact. energy: -3.834 local terms energy: -325.356391 where: bonds (distance) C4'-P energy: -60.997 bonds (distance) P-C4' energy: -67.755 flat angles C4'-P-C4' energy: -68.659 flat angles P-C4'-P energy: -46.267 tors. eta vs tors. theta energy: -81.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -890.548326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.548326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.548326 (E_RNA) where: Base-Base interactions energy: -585.695 where: short stacking energy: -252.252 Base-Backbone interact. energy: -2.602 local terms energy: -302.251326 where: bonds (distance) C4'-P energy: -70.594 bonds (distance) P-C4' energy: -67.486 flat angles C4'-P-C4' energy: -51.655 flat angles P-C4'-P energy: -49.890 tors. eta vs tors. theta energy: -62.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -731.904779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.904779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.904779 (E_RNA) where: Base-Base interactions energy: -464.685 where: short stacking energy: -216.092 Base-Backbone interact. energy: -4.106 local terms energy: -263.113556 where: bonds (distance) C4'-P energy: -46.990 bonds (distance) P-C4' energy: -57.171 flat angles C4'-P-C4' energy: -70.643 flat angles P-C4'-P energy: -40.358 tors. eta vs tors. theta energy: -47.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -661.928341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.928341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.928341 (E_RNA) where: Base-Base interactions energy: -392.890 where: short stacking energy: -180.203 Base-Backbone interact. energy: -0.881 local terms energy: -268.157458 where: bonds (distance) C4'-P energy: -66.883 bonds (distance) P-C4' energy: -61.538 flat angles C4'-P-C4' energy: -61.713 flat angles P-C4'-P energy: -39.539 tors. eta vs tors. theta energy: -38.484 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: 9 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -563.763001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.763001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.763001 (E_RNA) where: Base-Base interactions energy: -320.205 where: short stacking energy: -153.787 Base-Backbone interact. energy: -0.172 local terms energy: -243.386530 where: bonds (distance) C4'-P energy: -65.484 bonds (distance) P-C4' energy: -63.758 flat angles C4'-P-C4' energy: -50.869 flat angles P-C4'-P energy: -39.397 tors. eta vs tors. theta energy: -23.878 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: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -581.301804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.301804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.301804 (E_RNA) where: Base-Base interactions energy: -343.175 where: short stacking energy: -171.457 Base-Backbone interact. energy: -1.997 local terms energy: -236.129538 where: bonds (distance) C4'-P energy: -41.151 bonds (distance) P-C4' energy: -59.943 flat angles C4'-P-C4' energy: -57.223 flat angles P-C4'-P energy: -39.378 tors. eta vs tors. theta energy: -38.434 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: 109 Temperature: 1.350000 Total energy: -296.983142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.983142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.983142 (E_RNA) where: Base-Base interactions energy: -104.449 where: short stacking energy: -68.756 Base-Backbone interact. energy: -0.134 local terms energy: -192.401032 where: bonds (distance) C4'-P energy: -68.831 bonds (distance) P-C4' energy: -59.347 flat angles C4'-P-C4' energy: -50.202 flat angles P-C4'-P energy: -21.374 tors. eta vs tors. theta energy: 7.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -1118.296763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.296763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.296763 (E_RNA) where: Base-Base interactions energy: -775.177 where: short stacking energy: -329.641 Base-Backbone interact. energy: -2.242 local terms energy: -340.877101 where: bonds (distance) C4'-P energy: -60.160 bonds (distance) P-C4' energy: -67.224 flat angles C4'-P-C4' energy: -71.048 flat angles P-C4'-P energy: -51.706 tors. eta vs tors. theta energy: -90.740 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: 2, replica: 1 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -991.234634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.234634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.234634 (E_RNA) where: Base-Base interactions energy: -670.267 where: short stacking energy: -290.731 Base-Backbone interact. energy: -4.782 local terms energy: -316.185707 where: bonds (distance) C4'-P energy: -57.997 bonds (distance) P-C4' energy: -68.974 flat angles C4'-P-C4' energy: -70.471 flat angles P-C4'-P energy: -44.967 tors. eta vs tors. theta energy: -73.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -1039.555890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.555890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.555890 (E_RNA) where: Base-Base interactions energy: -732.573 where: short stacking energy: -283.147 Base-Backbone interact. energy: 0.073 local terms energy: -307.055711 where: bonds (distance) C4'-P energy: -51.507 bonds (distance) P-C4' energy: -70.302 flat angles C4'-P-C4' energy: -63.044 flat angles P-C4'-P energy: -49.337 tors. eta vs tors. theta energy: -72.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -970.122995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.122995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.122995 (E_RNA) where: Base-Base interactions energy: -639.153 where: short stacking energy: -289.356 Base-Backbone interact. energy: -0.443 local terms energy: -330.527345 where: bonds (distance) C4'-P energy: -55.879 bonds (distance) P-C4' energy: -64.576 flat angles C4'-P-C4' energy: -74.735 flat angles P-C4'-P energy: -42.230 tors. eta vs tors. theta energy: -93.107 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: 2 ===================================== Write number: 110 Temperature: 1.100000 Total energy: -862.362283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.362283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.362283 (E_RNA) where: Base-Base interactions energy: -572.340 where: short stacking energy: -211.213 Base-Backbone interact. energy: -2.599 local terms energy: -287.423404 where: bonds (distance) C4'-P energy: -63.582 bonds (distance) P-C4' energy: -71.200 flat angles C4'-P-C4' energy: -61.809 flat angles P-C4'-P energy: -34.214 tors. eta vs tors. theta energy: -56.618 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: 10 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -717.054687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.054687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.054687 (E_RNA) where: Base-Base interactions energy: -451.688 where: short stacking energy: -198.436 Base-Backbone interact. energy: -4.183 local terms energy: -261.183020 where: bonds (distance) C4'-P energy: -62.880 bonds (distance) P-C4' energy: -69.083 flat angles C4'-P-C4' energy: -52.309 flat angles P-C4'-P energy: -36.534 tors. eta vs tors. theta energy: -40.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -649.320301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.320301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.320301 (E_RNA) where: Base-Base interactions energy: -410.069 where: short stacking energy: -180.857 Base-Backbone interact. energy: -0.047 local terms energy: -239.203741 where: bonds (distance) C4'-P energy: -47.406 bonds (distance) P-C4' energy: -64.613 flat angles C4'-P-C4' energy: -51.321 flat angles P-C4'-P energy: -45.698 tors. eta vs tors. theta energy: -30.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -558.616187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.616187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.616187 (E_RNA) where: Base-Base interactions energy: -332.277 where: short stacking energy: -173.018 Base-Backbone interact. energy: 3.186 local terms energy: -229.525941 where: bonds (distance) C4'-P energy: -44.968 bonds (distance) P-C4' energy: -64.420 flat angles C4'-P-C4' energy: -54.788 flat angles P-C4'-P energy: -34.326 tors. eta vs tors. theta energy: -31.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -539.033159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.033159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.033159 (E_RNA) where: Base-Base interactions energy: -318.633 where: short stacking energy: -155.201 Base-Backbone interact. energy: 1.624 local terms energy: -222.024296 where: bonds (distance) C4'-P energy: -52.973 bonds (distance) P-C4' energy: -61.058 flat angles C4'-P-C4' energy: -63.489 flat angles P-C4'-P energy: -31.038 tors. eta vs tors. theta energy: -13.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -272.136659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.136659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.136659 (E_RNA) where: Base-Base interactions energy: -105.989 where: short stacking energy: -69.336 Base-Backbone interact. energy: -1.277 local terms energy: -164.871443 where: bonds (distance) C4'-P energy: -39.474 bonds (distance) P-C4' energy: -63.727 flat angles C4'-P-C4' energy: -55.957 flat angles P-C4'-P energy: -21.267 tors. eta vs tors. theta energy: 15.553 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: 1, replica: 8 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -1142.916019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.916019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.916019 (E_RNA) where: Base-Base interactions energy: -765.373 where: short stacking energy: -333.114 Base-Backbone interact. energy: -2.554 local terms energy: -374.989233 where: bonds (distance) C4'-P energy: -74.588 bonds (distance) P-C4' energy: -76.855 flat angles C4'-P-C4' energy: -76.046 flat angles P-C4'-P energy: -51.055 tors. eta vs tors. theta energy: -96.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -1052.964259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.964259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.964259 (E_RNA) where: Base-Base interactions energy: -708.254 where: short stacking energy: -282.845 Base-Backbone interact. energy: -1.708 local terms energy: -343.002870 where: bonds (distance) C4'-P energy: -73.376 bonds (distance) P-C4' energy: -67.050 flat angles C4'-P-C4' energy: -69.643 flat angles P-C4'-P energy: -50.574 tors. eta vs tors. theta energy: -82.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -974.559502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.559502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.559502 (E_RNA) where: Base-Base interactions energy: -661.284 where: short stacking energy: -273.376 Base-Backbone interact. energy: -1.732 local terms energy: -311.542773 where: bonds (distance) C4'-P energy: -66.934 bonds (distance) P-C4' energy: -59.221 flat angles C4'-P-C4' energy: -69.557 flat angles P-C4'-P energy: -36.921 tors. eta vs tors. theta energy: -78.910 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: 6 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -954.549483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.549483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.549483 (E_RNA) where: Base-Base interactions energy: -637.664 where: short stacking energy: -270.887 Base-Backbone interact. energy: -1.579 local terms energy: -315.305931 where: bonds (distance) C4'-P energy: -68.582 bonds (distance) P-C4' energy: -69.105 flat angles C4'-P-C4' energy: -60.207 flat angles P-C4'-P energy: -42.630 tors. eta vs tors. theta energy: -74.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -841.938124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -841.938124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -841.938124 (E_RNA) where: Base-Base interactions energy: -543.123 where: short stacking energy: -208.812 Base-Backbone interact. energy: -3.191 local terms energy: -295.624680 where: bonds (distance) C4'-P energy: -71.652 bonds (distance) P-C4' energy: -73.967 flat angles C4'-P-C4' energy: -56.598 flat angles P-C4'-P energy: -35.251 tors. eta vs tors. theta energy: -58.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -748.577107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.577107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.577107 (E_RNA) where: Base-Base interactions energy: -496.598 where: short stacking energy: -226.420 Base-Backbone interact. energy: -1.362 local terms energy: -250.617288 where: bonds (distance) C4'-P energy: -51.649 bonds (distance) P-C4' energy: -67.681 flat angles C4'-P-C4' energy: -42.075 flat angles P-C4'-P energy: -35.576 tors. eta vs tors. theta energy: -53.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -660.134922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.134922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.134922 (E_RNA) where: Base-Base interactions energy: -430.519 where: short stacking energy: -202.437 Base-Backbone interact. energy: -2.113 local terms energy: -227.502687 where: bonds (distance) C4'-P energy: -51.145 bonds (distance) P-C4' energy: -51.247 flat angles C4'-P-C4' energy: -52.793 flat angles P-C4'-P energy: -33.705 tors. eta vs tors. theta energy: -38.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -574.681358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.681358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.681358 (E_RNA) where: Base-Base interactions energy: -350.420 where: short stacking energy: -159.151 Base-Backbone interact. energy: 0.451 local terms energy: -224.712436 where: bonds (distance) C4'-P energy: -59.186 bonds (distance) P-C4' energy: -57.596 flat angles C4'-P-C4' energy: -46.228 flat angles P-C4'-P energy: -40.345 tors. eta vs tors. theta energy: -21.357 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: 111 Temperature: 1.300000 Total energy: -524.409460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.409460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.409460 (E_RNA) where: Base-Base interactions energy: -306.995 where: short stacking energy: -150.830 Base-Backbone interact. energy: 0.152 local terms energy: -217.566792 where: bonds (distance) C4'-P energy: -51.784 bonds (distance) P-C4' energy: -64.254 flat angles C4'-P-C4' energy: -48.195 flat angles P-C4'-P energy: -36.245 tors. eta vs tors. theta energy: -17.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -284.838955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.838955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.838955 (E_RNA) where: Base-Base interactions energy: -93.091 where: short stacking energy: -84.982 Base-Backbone interact. energy: -1.665 local terms energy: -190.082581 where: bonds (distance) C4'-P energy: -60.098 bonds (distance) P-C4' energy: -49.460 flat angles C4'-P-C4' energy: -47.088 flat angles P-C4'-P energy: -39.727 tors. eta vs tors. theta energy: 6.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -1125.404945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.404945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.404945 (E_RNA) where: Base-Base interactions energy: -766.802 where: short stacking energy: -338.658 Base-Backbone interact. energy: -1.408 local terms energy: -357.194587 where: bonds (distance) C4'-P energy: -62.093 bonds (distance) P-C4' energy: -72.885 flat angles C4'-P-C4' energy: -73.441 flat angles P-C4'-P energy: -49.930 tors. eta vs tors. theta energy: -98.846 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: 3 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -1057.755559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.755559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.755559 (E_RNA) where: Base-Base interactions energy: -728.562 where: short stacking energy: -280.891 Base-Backbone interact. energy: -1.159 local terms energy: -328.034474 where: bonds (distance) C4'-P energy: -65.561 bonds (distance) P-C4' energy: -66.693 flat angles C4'-P-C4' energy: -76.476 flat angles P-C4'-P energy: -47.866 tors. eta vs tors. theta energy: -71.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -1016.128048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.128048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.128048 (E_RNA) where: Base-Base interactions energy: -665.354 where: short stacking energy: -304.473 Base-Backbone interact. energy: -1.287 local terms energy: -349.486650 where: bonds (distance) C4'-P energy: -62.934 bonds (distance) P-C4' energy: -70.465 flat angles C4'-P-C4' energy: -73.418 flat angles P-C4'-P energy: -50.701 tors. eta vs tors. theta energy: -91.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -957.213537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.213537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.213537 (E_RNA) where: Base-Base interactions energy: -660.421 where: short stacking energy: -265.700 Base-Backbone interact. energy: -1.855 local terms energy: -294.937432 where: bonds (distance) C4'-P energy: -48.906 bonds (distance) P-C4' energy: -70.618 flat angles C4'-P-C4' energy: -66.708 flat angles P-C4'-P energy: -41.248 tors. eta vs tors. theta energy: -67.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -872.991814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.991814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.991814 (E_RNA) where: Base-Base interactions energy: -587.177 where: short stacking energy: -246.477 Base-Backbone interact. energy: -0.040 local terms energy: -285.775437 where: bonds (distance) C4'-P energy: -51.869 bonds (distance) P-C4' energy: -64.065 flat angles C4'-P-C4' energy: -65.548 flat angles P-C4'-P energy: -48.336 tors. eta vs tors. theta energy: -55.957 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: 10 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -704.654256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.654256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.654256 (E_RNA) where: Base-Base interactions energy: -439.963 where: short stacking energy: -204.435 Base-Backbone interact. energy: -3.000 local terms energy: -261.690621 where: bonds (distance) C4'-P energy: -57.847 bonds (distance) P-C4' energy: -59.539 flat angles C4'-P-C4' energy: -60.982 flat angles P-C4'-P energy: -35.831 tors. eta vs tors. theta energy: -47.490 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: 5 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -663.120086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.120086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.120086 (E_RNA) where: Base-Base interactions energy: -402.176 where: short stacking energy: -169.590 Base-Backbone interact. energy: -2.299 local terms energy: -258.645870 where: bonds (distance) C4'-P energy: -59.415 bonds (distance) P-C4' energy: -74.040 flat angles C4'-P-C4' energy: -59.940 flat angles P-C4'-P energy: -43.132 tors. eta vs tors. theta energy: -22.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -604.211846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.211846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.211846 (E_RNA) where: Base-Base interactions energy: -385.882 where: short stacking energy: -166.198 Base-Backbone interact. energy: 0.042 local terms energy: -218.371475 where: bonds (distance) C4'-P energy: -58.782 bonds (distance) P-C4' energy: -50.567 flat angles C4'-P-C4' energy: -49.684 flat angles P-C4'-P energy: -30.214 tors. eta vs tors. theta energy: -29.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -498.275241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -498.275241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -498.275241 (E_RNA) where: Base-Base interactions energy: -293.727 where: short stacking energy: -149.546 Base-Backbone interact. energy: -3.472 local terms energy: -201.076118 where: bonds (distance) C4'-P energy: -40.753 bonds (distance) P-C4' energy: -57.352 flat angles C4'-P-C4' energy: -55.852 flat angles P-C4'-P energy: -28.646 tors. eta vs tors. theta energy: -18.472 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: 4 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -312.821056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -312.821056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -312.821056 (E_RNA) where: Base-Base interactions energy: -147.663 where: short stacking energy: -104.960 Base-Backbone interact. energy: -0.870 local terms energy: -164.287723 where: bonds (distance) C4'-P energy: -50.811 bonds (distance) P-C4' energy: -54.507 flat angles C4'-P-C4' energy: -24.548 flat angles P-C4'-P energy: -27.868 tors. eta vs tors. theta energy: -6.553 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: 1, replica: 8 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -1130.913576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.913576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.913576 (E_RNA) where: Base-Base interactions energy: -765.984 where: short stacking energy: -338.669 Base-Backbone interact. energy: -2.029 local terms energy: -362.900630 where: bonds (distance) C4'-P energy: -66.691 bonds (distance) P-C4' energy: -73.095 flat angles C4'-P-C4' energy: -78.682 flat angles P-C4'-P energy: -44.158 tors. eta vs tors. theta energy: -100.275 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: 3 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -1039.686373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.686373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.686373 (E_RNA) where: Base-Base interactions energy: -728.206 where: short stacking energy: -290.965 Base-Backbone interact. energy: -1.306 local terms energy: -310.174843 where: bonds (distance) C4'-P energy: -57.643 bonds (distance) P-C4' energy: -61.833 flat angles C4'-P-C4' energy: -69.520 flat angles P-C4'-P energy: -51.141 tors. eta vs tors. theta energy: -70.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -1012.508606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.508606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.508606 (E_RNA) where: Base-Base interactions energy: -663.557 where: short stacking energy: -304.960 Base-Backbone interact. energy: -1.601 local terms energy: -347.350186 where: bonds (distance) C4'-P energy: -72.211 bonds (distance) P-C4' energy: -69.486 flat angles C4'-P-C4' energy: -69.252 flat angles P-C4'-P energy: -46.931 tors. eta vs tors. theta energy: -89.471 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: 1 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -950.585760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.585760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.585760 (E_RNA) where: Base-Base interactions energy: -650.855 where: short stacking energy: -244.436 Base-Backbone interact. energy: -2.053 local terms energy: -297.678243 where: bonds (distance) C4'-P energy: -74.345 bonds (distance) P-C4' energy: -59.155 flat angles C4'-P-C4' energy: -65.393 flat angles P-C4'-P energy: -35.734 tors. eta vs tors. theta energy: -63.052 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: 2 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -852.310131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.310131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.310131 (E_RNA) where: Base-Base interactions energy: -571.254 where: short stacking energy: -233.083 Base-Backbone interact. energy: -3.597 local terms energy: -277.459341 where: bonds (distance) C4'-P energy: -53.681 bonds (distance) P-C4' energy: -60.281 flat angles C4'-P-C4' energy: -58.799 flat angles P-C4'-P energy: -38.762 tors. eta vs tors. theta energy: -65.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -699.938018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.938018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.938018 (E_RNA) where: Base-Base interactions energy: -435.360 where: short stacking energy: -212.655 Base-Backbone interact. energy: -0.710 local terms energy: -263.868036 where: bonds (distance) C4'-P energy: -55.043 bonds (distance) P-C4' energy: -59.975 flat angles C4'-P-C4' energy: -65.875 flat angles P-C4'-P energy: -38.149 tors. eta vs tors. theta energy: -44.826 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: 5 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -678.457158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.457158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.457158 (E_RNA) where: Base-Base interactions energy: -409.290 where: short stacking energy: -171.417 Base-Backbone interact. energy: -1.870 local terms energy: -267.297257 where: bonds (distance) C4'-P energy: -62.756 bonds (distance) P-C4' energy: -70.415 flat angles C4'-P-C4' energy: -58.504 flat angles P-C4'-P energy: -35.273 tors. eta vs tors. theta energy: -40.350 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: 9 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -559.667391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.667391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.667391 (E_RNA) where: Base-Base interactions energy: -323.015 where: short stacking energy: -173.779 Base-Backbone interact. energy: -0.922 local terms energy: -235.730802 where: bonds (distance) C4'-P energy: -47.936 bonds (distance) P-C4' energy: -53.555 flat angles C4'-P-C4' energy: -58.671 flat angles P-C4'-P energy: -39.952 tors. eta vs tors. theta energy: -35.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -418.591738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.591738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.591738 (E_RNA) where: Base-Base interactions energy: -236.153 where: short stacking energy: -131.085 Base-Backbone interact. energy: 8.449 local terms energy: -190.887843 where: bonds (distance) C4'-P energy: -42.107 bonds (distance) P-C4' energy: -58.114 flat angles C4'-P-C4' energy: -50.896 flat angles P-C4'-P energy: -32.928 tors. eta vs tors. theta energy: -6.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -287.781445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -287.781445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -287.781445 (E_RNA) where: Base-Base interactions energy: -106.282 where: short stacking energy: -93.186 Base-Backbone interact. energy: -0.160 local terms energy: -181.339454 where: bonds (distance) C4'-P energy: -55.463 bonds (distance) P-C4' energy: -52.349 flat angles C4'-P-C4' energy: -50.725 flat angles P-C4'-P energy: -26.562 tors. eta vs tors. theta energy: 3.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -1114.546679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.546679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.546679 (E_RNA) where: Base-Base interactions energy: -755.974 where: short stacking energy: -320.769 Base-Backbone interact. energy: -2.157 local terms energy: -356.416295 where: bonds (distance) C4'-P energy: -61.549 bonds (distance) P-C4' energy: -69.953 flat angles C4'-P-C4' energy: -72.903 flat angles P-C4'-P energy: -55.744 tors. eta vs tors. theta energy: -96.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -1046.155771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.155771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.155771 (E_RNA) where: Base-Base interactions energy: -719.856 where: short stacking energy: -285.675 Base-Backbone interact. energy: -1.330 local terms energy: -324.969448 where: bonds (distance) C4'-P energy: -58.178 bonds (distance) P-C4' energy: -61.436 flat angles C4'-P-C4' energy: -72.864 flat angles P-C4'-P energy: -53.042 tors. eta vs tors. theta energy: -79.450 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: 6 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -1021.977524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.977524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.977524 (E_RNA) where: Base-Base interactions energy: -683.658 where: short stacking energy: -297.435 Base-Backbone interact. energy: -0.871 local terms energy: -337.447912 where: bonds (distance) C4'-P energy: -61.826 bonds (distance) P-C4' energy: -66.016 flat angles C4'-P-C4' energy: -73.739 flat angles P-C4'-P energy: -41.042 tors. eta vs tors. theta energy: -94.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -968.568766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.568766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.568766 (E_RNA) where: Base-Base interactions energy: -640.256 where: short stacking energy: -273.978 Base-Backbone interact. energy: -1.010 local terms energy: -327.302388 where: bonds (distance) C4'-P energy: -60.179 bonds (distance) P-C4' energy: -69.950 flat angles C4'-P-C4' energy: -76.963 flat angles P-C4'-P energy: -46.335 tors. eta vs tors. theta energy: -73.875 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: 5, replica: 2 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -870.566896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.566896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.566896 (E_RNA) where: Base-Base interactions energy: -587.618 where: short stacking energy: -231.808 Base-Backbone interact. energy: -1.253 local terms energy: -281.695817 where: bonds (distance) C4'-P energy: -62.518 bonds (distance) P-C4' energy: -56.798 flat angles C4'-P-C4' energy: -60.586 flat angles P-C4'-P energy: -46.006 tors. eta vs tors. theta energy: -55.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -677.076267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.076267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.076267 (E_RNA) where: Base-Base interactions energy: -413.049 where: short stacking energy: -186.729 Base-Backbone interact. energy: -2.618 local terms energy: -261.408927 where: bonds (distance) C4'-P energy: -59.042 bonds (distance) P-C4' energy: -64.070 flat angles C4'-P-C4' energy: -65.910 flat angles P-C4'-P energy: -30.994 tors. eta vs tors. theta energy: -41.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -688.905983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.905983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.905983 (E_RNA) where: Base-Base interactions energy: -436.183 where: short stacking energy: -186.105 Base-Backbone interact. energy: -2.879 local terms energy: -249.843864 where: bonds (distance) C4'-P energy: -55.767 bonds (distance) P-C4' energy: -58.825 flat angles C4'-P-C4' energy: -64.620 flat angles P-C4'-P energy: -34.180 tors. eta vs tors. theta energy: -36.451 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: 9 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -525.547806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.547806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.547806 (E_RNA) where: Base-Base interactions energy: -306.031 where: short stacking energy: -142.257 Base-Backbone interact. energy: -2.094 local terms energy: -217.422867 where: bonds (distance) C4'-P energy: -47.095 bonds (distance) P-C4' energy: -55.268 flat angles C4'-P-C4' energy: -55.770 flat angles P-C4'-P energy: -42.591 tors. eta vs tors. theta energy: -16.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -415.468305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.468305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.468305 (E_RNA) where: Base-Base interactions energy: -220.901 where: short stacking energy: -128.422 Base-Backbone interact. energy: -0.609 local terms energy: -193.958754 where: bonds (distance) C4'-P energy: -57.465 bonds (distance) P-C4' energy: -62.219 flat angles C4'-P-C4' energy: -42.541 flat angles P-C4'-P energy: -14.349 tors. eta vs tors. theta energy: -17.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -331.095960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -331.095960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -331.095960 (E_RNA) where: Base-Base interactions energy: -133.356 where: short stacking energy: -86.836 Base-Backbone interact. energy: 1.163 local terms energy: -198.902780 where: bonds (distance) C4'-P energy: -67.246 bonds (distance) P-C4' energy: -57.970 flat angles C4'-P-C4' energy: -37.673 flat angles P-C4'-P energy: -32.435 tors. eta vs tors. theta energy: -3.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -1134.945809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.945809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.945809 (E_RNA) where: Base-Base interactions energy: -773.016 where: short stacking energy: -334.112 Base-Backbone interact. energy: -2.639 local terms energy: -359.290260 where: bonds (distance) C4'-P energy: -67.651 bonds (distance) P-C4' energy: -59.827 flat angles C4'-P-C4' energy: -78.156 flat angles P-C4'-P energy: -57.459 tors. eta vs tors. theta energy: -96.196 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: 2, replica: 3 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -1049.828150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.828150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.828150 (E_RNA) where: Base-Base interactions energy: -710.098 where: short stacking energy: -284.729 Base-Backbone interact. energy: -2.149 local terms energy: -337.580470 where: bonds (distance) C4'-P energy: -55.922 bonds (distance) P-C4' energy: -71.999 flat angles C4'-P-C4' energy: -74.936 flat angles P-C4'-P energy: -53.472 tors. eta vs tors. theta energy: -81.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -992.788747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.788747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.788747 (E_RNA) where: Base-Base interactions energy: -671.465 where: short stacking energy: -284.326 Base-Backbone interact. energy: 0.328 local terms energy: -321.651373 where: bonds (distance) C4'-P energy: -62.959 bonds (distance) P-C4' energy: -55.161 flat angles C4'-P-C4' energy: -75.847 flat angles P-C4'-P energy: -45.857 tors. eta vs tors. theta energy: -81.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -935.664085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.664085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.664085 (E_RNA) where: Base-Base interactions energy: -637.678 where: short stacking energy: -257.849 Base-Backbone interact. energy: -1.607 local terms energy: -296.379441 where: bonds (distance) C4'-P energy: -65.414 bonds (distance) P-C4' energy: -67.105 flat angles C4'-P-C4' energy: -59.143 flat angles P-C4'-P energy: -38.025 tors. eta vs tors. theta energy: -66.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -855.846984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.846984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.846984 (E_RNA) where: Base-Base interactions energy: -558.715 where: short stacking energy: -232.856 Base-Backbone interact. energy: -3.295 local terms energy: -293.837186 where: bonds (distance) C4'-P energy: -57.912 bonds (distance) P-C4' energy: -68.423 flat angles C4'-P-C4' energy: -66.778 flat angles P-C4'-P energy: -38.206 tors. eta vs tors. theta energy: -62.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -692.797463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.797463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.797463 (E_RNA) where: Base-Base interactions energy: -439.165 where: short stacking energy: -205.159 Base-Backbone interact. energy: 2.088 local terms energy: -255.720750 where: bonds (distance) C4'-P energy: -57.742 bonds (distance) P-C4' energy: -64.478 flat angles C4'-P-C4' energy: -47.120 flat angles P-C4'-P energy: -44.285 tors. eta vs tors. theta energy: -42.096 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: 5 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -642.446292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.446292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.446292 (E_RNA) where: Base-Base interactions energy: -383.659 where: short stacking energy: -186.073 Base-Backbone interact. energy: 0.883 local terms energy: -259.670174 where: bonds (distance) C4'-P energy: -59.526 bonds (distance) P-C4' energy: -62.859 flat angles C4'-P-C4' energy: -65.548 flat angles P-C4'-P energy: -38.890 tors. eta vs tors. theta energy: -32.847 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: 9 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -575.148331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.148331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.148331 (E_RNA) where: Base-Base interactions energy: -324.650 where: short stacking energy: -166.738 Base-Backbone interact. energy: -0.240 local terms energy: -250.258343 where: bonds (distance) C4'-P energy: -52.246 bonds (distance) P-C4' energy: -66.163 flat angles C4'-P-C4' energy: -55.797 flat angles P-C4'-P energy: -48.385 tors. eta vs tors. theta energy: -27.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -434.957735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.957735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.957735 (E_RNA) where: Base-Base interactions energy: -230.016 where: short stacking energy: -128.328 Base-Backbone interact. energy: -1.636 local terms energy: -203.305377 where: bonds (distance) C4'-P energy: -57.337 bonds (distance) P-C4' energy: -44.651 flat angles C4'-P-C4' energy: -48.320 flat angles P-C4'-P energy: -31.057 tors. eta vs tors. theta energy: -21.941 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: 4 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -290.264343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.264343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.264343 (E_RNA) where: Base-Base interactions energy: -134.838 where: short stacking energy: -107.440 Base-Backbone interact. energy: -0.979 local terms energy: -154.447123 where: bonds (distance) C4'-P energy: -53.872 bonds (distance) P-C4' energy: -36.274 flat angles C4'-P-C4' energy: -39.245 flat angles P-C4'-P energy: -31.015 tors. eta vs tors. theta energy: 5.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -1133.701378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.701378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.701378 (E_RNA) where: Base-Base interactions energy: -767.157 where: short stacking energy: -321.131 Base-Backbone interact. energy: -3.719 local terms energy: -362.825105 where: bonds (distance) C4'-P energy: -69.027 bonds (distance) P-C4' energy: -73.819 flat angles C4'-P-C4' energy: -77.104 flat angles P-C4'-P energy: -48.076 tors. eta vs tors. theta energy: -94.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -1044.117992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.117992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.117992 (E_RNA) where: Base-Base interactions energy: -719.322 where: short stacking energy: -297.751 Base-Backbone interact. energy: -0.957 local terms energy: -323.838804 where: bonds (distance) C4'-P energy: -58.003 bonds (distance) P-C4' energy: -61.823 flat angles C4'-P-C4' energy: -69.021 flat angles P-C4'-P energy: -47.283 tors. eta vs tors. theta energy: -87.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -992.095425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.095425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.095425 (E_RNA) where: Base-Base interactions energy: -678.031 where: short stacking energy: -294.671 Base-Backbone interact. energy: -2.509 local terms energy: -311.555575 where: bonds (distance) C4'-P energy: -51.582 bonds (distance) P-C4' energy: -60.006 flat angles C4'-P-C4' energy: -71.234 flat angles P-C4'-P energy: -44.882 tors. eta vs tors. theta energy: -83.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -927.007544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.007544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.007544 (E_RNA) where: Base-Base interactions energy: -634.153 where: short stacking energy: -271.267 Base-Backbone interact. energy: 0.855 local terms energy: -293.709408 where: bonds (distance) C4'-P energy: -53.103 bonds (distance) P-C4' energy: -60.456 flat angles C4'-P-C4' energy: -73.986 flat angles P-C4'-P energy: -36.165 tors. eta vs tors. theta energy: -69.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -860.023028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.023028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.023028 (E_RNA) where: Base-Base interactions energy: -571.394 where: short stacking energy: -234.606 Base-Backbone interact. energy: 0.152 local terms energy: -288.780822 where: bonds (distance) C4'-P energy: -54.451 bonds (distance) P-C4' energy: -66.842 flat angles C4'-P-C4' energy: -59.893 flat angles P-C4'-P energy: -44.982 tors. eta vs tors. theta energy: -62.613 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: 10 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -710.710015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.710015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.710015 (E_RNA) where: Base-Base interactions energy: -449.965 where: short stacking energy: -215.270 Base-Backbone interact. energy: -1.181 local terms energy: -259.564633 where: bonds (distance) C4'-P energy: -50.880 bonds (distance) P-C4' energy: -55.247 flat angles C4'-P-C4' energy: -62.716 flat angles P-C4'-P energy: -42.311 tors. eta vs tors. theta energy: -48.411 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: 5 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -636.170104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.170104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.170104 (E_RNA) where: Base-Base interactions energy: -397.288 where: short stacking energy: -190.660 Base-Backbone interact. energy: -2.507 local terms energy: -236.375362 where: bonds (distance) C4'-P energy: -58.681 bonds (distance) P-C4' energy: -49.930 flat angles C4'-P-C4' energy: -62.247 flat angles P-C4'-P energy: -27.244 tors. eta vs tors. theta energy: -38.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 116 Temperature: 1.250000 Total energy: -593.639088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.639088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.639088 (E_RNA) where: Base-Base interactions energy: -352.538 where: short stacking energy: -191.087 Base-Backbone interact. energy: -0.503 local terms energy: -240.598552 where: bonds (distance) C4'-P energy: -53.092 bonds (distance) P-C4' energy: -59.404 flat angles C4'-P-C4' energy: -57.200 flat angles P-C4'-P energy: -42.012 tors. eta vs tors. theta energy: -28.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -417.536196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.536196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.536196 (E_RNA) where: Base-Base interactions energy: -232.543 where: short stacking energy: -116.488 Base-Backbone interact. energy: 1.039 local terms energy: -186.032523 where: bonds (distance) C4'-P energy: -49.114 bonds (distance) P-C4' energy: -59.475 flat angles C4'-P-C4' energy: -43.053 flat angles P-C4'-P energy: -34.374 tors. eta vs tors. theta energy: -0.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -263.433607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.433607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.433607 (E_RNA) where: Base-Base interactions energy: -93.511 where: short stacking energy: -65.843 Base-Backbone interact. energy: -0.851 local terms energy: -169.071756 where: bonds (distance) C4'-P energy: -52.947 bonds (distance) P-C4' energy: -52.083 flat angles C4'-P-C4' energy: -44.565 flat angles P-C4'-P energy: -34.866 tors. eta vs tors. theta energy: 15.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -1154.007319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.007319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.007319 (E_RNA) where: Base-Base interactions energy: -813.128 where: short stacking energy: -341.125 Base-Backbone interact. energy: -2.189 local terms energy: -338.690752 where: bonds (distance) C4'-P energy: -51.789 bonds (distance) P-C4' energy: -64.551 flat angles C4'-P-C4' energy: -73.985 flat angles P-C4'-P energy: -57.867 tors. eta vs tors. theta energy: -90.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -1035.799028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.799028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.799028 (E_RNA) where: Base-Base interactions energy: -713.443 where: short stacking energy: -304.246 Base-Backbone interact. energy: -3.346 local terms energy: -319.010458 where: bonds (distance) C4'-P energy: -55.508 bonds (distance) P-C4' energy: -50.946 flat angles C4'-P-C4' energy: -80.382 flat angles P-C4'-P energy: -49.884 tors. eta vs tors. theta energy: -82.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -1007.138665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.138665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.138665 (E_RNA) where: Base-Base interactions energy: -667.947 where: short stacking energy: -292.851 Base-Backbone interact. energy: -0.850 local terms energy: -338.341993 where: bonds (distance) C4'-P energy: -62.972 bonds (distance) P-C4' energy: -64.799 flat angles C4'-P-C4' energy: -79.794 flat angles P-C4'-P energy: -45.655 tors. eta vs tors. theta energy: -85.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -986.047135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.047135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.047135 (E_RNA) where: Base-Base interactions energy: -661.426 where: short stacking energy: -266.867 Base-Backbone interact. energy: 0.385 local terms energy: -325.006105 where: bonds (distance) C4'-P energy: -61.790 bonds (distance) P-C4' energy: -75.696 flat angles C4'-P-C4' energy: -65.146 flat angles P-C4'-P energy: -49.678 tors. eta vs tors. theta energy: -72.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -866.881240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.881240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.881240 (E_RNA) where: Base-Base interactions energy: -582.575 where: short stacking energy: -227.473 Base-Backbone interact. energy: -3.052 local terms energy: -281.254291 where: bonds (distance) C4'-P energy: -64.004 bonds (distance) P-C4' energy: -59.643 flat angles C4'-P-C4' energy: -68.482 flat angles P-C4'-P energy: -34.289 tors. eta vs tors. theta energy: -54.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -610.985257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.985257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.985257 (E_RNA) where: Base-Base interactions energy: -362.806 where: short stacking energy: -188.716 Base-Backbone interact. energy: -1.345 local terms energy: -246.833276 where: bonds (distance) C4'-P energy: -58.244 bonds (distance) P-C4' energy: -60.205 flat angles C4'-P-C4' energy: -53.750 flat angles P-C4'-P energy: -35.775 tors. eta vs tors. theta energy: -38.860 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: 10 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -610.505619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.505619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.505619 (E_RNA) where: Base-Base interactions energy: -382.792 where: short stacking energy: -169.802 Base-Backbone interact. energy: -1.816 local terms energy: -225.897766 where: bonds (distance) C4'-P energy: -60.613 bonds (distance) P-C4' energy: -61.731 flat angles C4'-P-C4' energy: -50.057 flat angles P-C4'-P energy: -29.655 tors. eta vs tors. theta energy: -23.841 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: 9 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -612.191967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.191967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.191967 (E_RNA) where: Base-Base interactions energy: -400.182 where: short stacking energy: -175.196 Base-Backbone interact. energy: -1.430 local terms energy: -210.579682 where: bonds (distance) C4'-P energy: -49.482 bonds (distance) P-C4' energy: -57.248 flat angles C4'-P-C4' energy: -63.997 flat angles P-C4'-P energy: -25.097 tors. eta vs tors. theta energy: -14.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -440.945912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.945912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.945912 (E_RNA) where: Base-Base interactions energy: -228.235 where: short stacking energy: -121.485 Base-Backbone interact. energy: -1.314 local terms energy: -211.396500 where: bonds (distance) C4'-P energy: -58.435 bonds (distance) P-C4' energy: -56.116 flat angles C4'-P-C4' energy: -53.909 flat angles P-C4'-P energy: -33.655 tors. eta vs tors. theta energy: -9.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -280.169456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -280.169456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -280.169456 (E_RNA) where: Base-Base interactions energy: -101.385 where: short stacking energy: -77.339 Base-Backbone interact. energy: 2.293 local terms energy: -181.076992 where: bonds (distance) C4'-P energy: -55.077 bonds (distance) P-C4' energy: -58.397 flat angles C4'-P-C4' energy: -45.157 flat angles P-C4'-P energy: -29.784 tors. eta vs tors. theta energy: 7.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -1138.135695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.135695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.135695 (E_RNA) where: Base-Base interactions energy: -775.384 where: short stacking energy: -342.552 Base-Backbone interact. energy: -4.869 local terms energy: -357.882354 where: bonds (distance) C4'-P energy: -66.162 bonds (distance) P-C4' energy: -69.238 flat angles C4'-P-C4' energy: -75.242 flat angles P-C4'-P energy: -48.488 tors. eta vs tors. theta energy: -98.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -1045.479819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.479819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.479819 (E_RNA) where: Base-Base interactions energy: -724.804 where: short stacking energy: -302.756 Base-Backbone interact. energy: -3.883 local terms energy: -316.792086 where: bonds (distance) C4'-P energy: -64.883 bonds (distance) P-C4' energy: -65.154 flat angles C4'-P-C4' energy: -65.195 flat angles P-C4'-P energy: -36.582 tors. eta vs tors. theta energy: -84.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -1004.453762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.453762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.453762 (E_RNA) where: Base-Base interactions energy: -668.156 where: short stacking energy: -298.518 Base-Backbone interact. energy: -0.955 local terms energy: -335.342893 where: bonds (distance) C4'-P energy: -72.420 bonds (distance) P-C4' energy: -63.894 flat angles C4'-P-C4' energy: -74.126 flat angles P-C4'-P energy: -41.677 tors. eta vs tors. theta energy: -83.226 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: 1 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -967.138231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.138231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.138231 (E_RNA) where: Base-Base interactions energy: -643.592 where: short stacking energy: -258.181 Base-Backbone interact. energy: -0.601 local terms energy: -322.944919 where: bonds (distance) C4'-P energy: -71.790 bonds (distance) P-C4' energy: -57.537 flat angles C4'-P-C4' energy: -73.732 flat angles P-C4'-P energy: -54.950 tors. eta vs tors. theta energy: -64.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -860.356623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.356623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.356623 (E_RNA) where: Base-Base interactions energy: -585.764 where: short stacking energy: -248.964 Base-Backbone interact. energy: -4.229 local terms energy: -270.363545 where: bonds (distance) C4'-P energy: -53.888 bonds (distance) P-C4' energy: -52.313 flat angles C4'-P-C4' energy: -72.766 flat angles P-C4'-P energy: -30.464 tors. eta vs tors. theta energy: -60.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -611.575342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.575342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.575342 (E_RNA) where: Base-Base interactions energy: -358.485 where: short stacking energy: -169.596 Base-Backbone interact. energy: -2.686 local terms energy: -250.404083 where: bonds (distance) C4'-P energy: -63.414 bonds (distance) P-C4' energy: -56.458 flat angles C4'-P-C4' energy: -60.426 flat angles P-C4'-P energy: -45.462 tors. eta vs tors. theta energy: -24.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -672.575555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.575555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.575555 (E_RNA) where: Base-Base interactions energy: -426.074 where: short stacking energy: -186.801 Base-Backbone interact. energy: -0.522 local terms energy: -245.979753 where: bonds (distance) C4'-P energy: -54.088 bonds (distance) P-C4' energy: -66.760 flat angles C4'-P-C4' energy: -62.079 flat angles P-C4'-P energy: -39.108 tors. eta vs tors. theta energy: -23.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -592.197749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.197749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.197749 (E_RNA) where: Base-Base interactions energy: -367.433 where: short stacking energy: -160.864 Base-Backbone interact. energy: 1.335 local terms energy: -226.099508 where: bonds (distance) C4'-P energy: -58.054 bonds (distance) P-C4' energy: -53.450 flat angles C4'-P-C4' energy: -56.642 flat angles P-C4'-P energy: -29.277 tors. eta vs tors. theta energy: -28.676 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: 7 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -450.013254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.013254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.013254 (E_RNA) where: Base-Base interactions energy: -244.388 where: short stacking energy: -129.928 Base-Backbone interact. energy: 0.472 local terms energy: -206.097353 where: bonds (distance) C4'-P energy: -49.800 bonds (distance) P-C4' energy: -61.754 flat angles C4'-P-C4' energy: -49.975 flat angles P-C4'-P energy: -27.710 tors. eta vs tors. theta energy: -16.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -298.282041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.282041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.282041 (E_RNA) where: Base-Base interactions energy: -123.545 where: short stacking energy: -84.345 Base-Backbone interact. energy: -0.078 local terms energy: -174.658444 where: bonds (distance) C4'-P energy: -68.590 bonds (distance) P-C4' energy: -53.014 flat angles C4'-P-C4' energy: -40.628 flat angles P-C4'-P energy: -20.578 tors. eta vs tors. theta energy: 8.152 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: 8 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -1138.470226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.470226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.470226 (E_RNA) where: Base-Base interactions energy: -797.249 where: short stacking energy: -332.941 Base-Backbone interact. energy: 0.396 local terms energy: -341.617051 where: bonds (distance) C4'-P energy: -66.298 bonds (distance) P-C4' energy: -58.613 flat angles C4'-P-C4' energy: -69.523 flat angles P-C4'-P energy: -56.173 tors. eta vs tors. theta energy: -91.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -1046.278859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.278859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.278859 (E_RNA) where: Base-Base interactions energy: -718.029 where: short stacking energy: -286.044 Base-Backbone interact. energy: -1.851 local terms energy: -326.399088 where: bonds (distance) C4'-P energy: -63.254 bonds (distance) P-C4' energy: -48.185 flat angles C4'-P-C4' energy: -78.477 flat angles P-C4'-P energy: -51.407 tors. eta vs tors. theta energy: -85.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -960.063428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.063428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.063428 (E_RNA) where: Base-Base interactions energy: -641.119 where: short stacking energy: -277.342 Base-Backbone interact. energy: -1.371 local terms energy: -317.573198 where: bonds (distance) C4'-P energy: -56.216 bonds (distance) P-C4' energy: -56.995 flat angles C4'-P-C4' energy: -76.197 flat angles P-C4'-P energy: -45.955 tors. eta vs tors. theta energy: -82.209 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: 119 Temperature: 1.050000 Total energy: -957.137391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.137391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.137391 (E_RNA) where: Base-Base interactions energy: -658.899 where: short stacking energy: -281.619 Base-Backbone interact. energy: 1.413 local terms energy: -299.651358 where: bonds (distance) C4'-P energy: -54.400 bonds (distance) P-C4' energy: -59.824 flat angles C4'-P-C4' energy: -72.399 flat angles P-C4'-P energy: -38.896 tors. eta vs tors. theta energy: -74.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -891.597582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.597582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.597582 (E_RNA) where: Base-Base interactions energy: -601.553 where: short stacking energy: -252.936 Base-Backbone interact. energy: -3.239 local terms energy: -286.806179 where: bonds (distance) C4'-P energy: -56.850 bonds (distance) P-C4' energy: -52.656 flat angles C4'-P-C4' energy: -62.353 flat angles P-C4'-P energy: -45.473 tors. eta vs tors. theta energy: -69.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -752.746103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.746103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.746103 (E_RNA) where: Base-Base interactions energy: -486.216 where: short stacking energy: -190.641 Base-Backbone interact. energy: 0.264 local terms energy: -266.794318 where: bonds (distance) C4'-P energy: -56.617 bonds (distance) P-C4' energy: -55.940 flat angles C4'-P-C4' energy: -67.068 flat angles P-C4'-P energy: -43.653 tors. eta vs tors. theta energy: -43.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -587.033547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.033547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.033547 (E_RNA) where: Base-Base interactions energy: -347.120 where: short stacking energy: -172.073 Base-Backbone interact. energy: -2.189 local terms energy: -237.724638 where: bonds (distance) C4'-P energy: -54.636 bonds (distance) P-C4' energy: -62.286 flat angles C4'-P-C4' energy: -51.137 flat angles P-C4'-P energy: -36.766 tors. eta vs tors. theta energy: -32.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -618.246128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.246128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.246128 (E_RNA) where: Base-Base interactions energy: -387.149 where: short stacking energy: -166.564 Base-Backbone interact. energy: 0.371 local terms energy: -231.468684 where: bonds (distance) C4'-P energy: -60.696 bonds (distance) P-C4' energy: -53.961 flat angles C4'-P-C4' energy: -47.301 flat angles P-C4'-P energy: -33.034 tors. eta vs tors. theta energy: -36.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -428.967398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.967398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.967398 (E_RNA) where: Base-Base interactions energy: -225.639 where: short stacking energy: -140.867 Base-Backbone interact. energy: 0.062 local terms energy: -203.390944 where: bonds (distance) C4'-P energy: -50.967 bonds (distance) P-C4' energy: -38.767 flat angles C4'-P-C4' energy: -58.722 flat angles P-C4'-P energy: -35.769 tors. eta vs tors. theta energy: -19.166 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: 119 Temperature: 1.350000 Total energy: -320.893253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.893253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.893253 (E_RNA) where: Base-Base interactions energy: -138.700 where: short stacking energy: -106.403 Base-Backbone interact. energy: 7.831 local terms energy: -190.023616 where: bonds (distance) C4'-P energy: -57.682 bonds (distance) P-C4' energy: -61.324 flat angles C4'-P-C4' energy: -42.410 flat angles P-C4'-P energy: -27.042 tors. eta vs tors. theta energy: -1.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -1133.325520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.325520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.325520 (E_RNA) where: Base-Base interactions energy: -777.862 where: short stacking energy: -337.050 Base-Backbone interact. energy: -1.826 local terms energy: -353.637870 where: bonds (distance) C4'-P energy: -56.820 bonds (distance) P-C4' energy: -69.426 flat angles C4'-P-C4' energy: -78.104 flat angles P-C4'-P energy: -53.403 tors. eta vs tors. theta energy: -95.885 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: 3 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -1031.087049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.087049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.087049 (E_RNA) where: Base-Base interactions energy: -694.469 where: short stacking energy: -294.658 Base-Backbone interact. energy: -1.312 local terms energy: -335.305458 where: bonds (distance) C4'-P energy: -63.115 bonds (distance) P-C4' energy: -67.094 flat angles C4'-P-C4' energy: -75.152 flat angles P-C4'-P energy: -40.357 tors. eta vs tors. theta energy: -89.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -1015.810303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.810303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.810303 (E_RNA) where: Base-Base interactions energy: -691.134 where: short stacking energy: -292.130 Base-Backbone interact. energy: -1.312 local terms energy: -323.364575 where: bonds (distance) C4'-P energy: -65.158 bonds (distance) P-C4' energy: -60.523 flat angles C4'-P-C4' energy: -71.982 flat angles P-C4'-P energy: -46.103 tors. eta vs tors. theta energy: -79.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -961.391305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.391305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.391305 (E_RNA) where: Base-Base interactions energy: -655.557 where: short stacking energy: -266.614 Base-Backbone interact. energy: 1.265 local terms energy: -307.099243 where: bonds (distance) C4'-P energy: -65.174 bonds (distance) P-C4' energy: -69.153 flat angles C4'-P-C4' energy: -58.658 flat angles P-C4'-P energy: -43.511 tors. eta vs tors. theta energy: -70.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -867.752723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.752723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.752723 (E_RNA) where: Base-Base interactions energy: -611.698 where: short stacking energy: -238.023 Base-Backbone interact. energy: -2.057 local terms energy: -253.997627 where: bonds (distance) C4'-P energy: -58.945 bonds (distance) P-C4' energy: -52.761 flat angles C4'-P-C4' energy: -53.103 flat angles P-C4'-P energy: -36.708 tors. eta vs tors. theta energy: -52.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -765.195109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.195109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.195109 (E_RNA) where: Base-Base interactions energy: -512.610 where: short stacking energy: -213.151 Base-Backbone interact. energy: 2.388 local terms energy: -254.973568 where: bonds (distance) C4'-P energy: -54.580 bonds (distance) P-C4' energy: -56.714 flat angles C4'-P-C4' energy: -64.772 flat angles P-C4'-P energy: -35.201 tors. eta vs tors. theta energy: -43.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -578.538434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.538434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.538434 (E_RNA) where: Base-Base interactions energy: -356.537 where: short stacking energy: -173.674 Base-Backbone interact. energy: 0.921 local terms energy: -222.922414 where: bonds (distance) C4'-P energy: -52.678 bonds (distance) P-C4' energy: -56.718 flat angles C4'-P-C4' energy: -52.925 flat angles P-C4'-P energy: -34.726 tors. eta vs tors. theta energy: -25.876 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: 120 Temperature: 1.250000 Total energy: -621.149734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.149734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.149734 (E_RNA) where: Base-Base interactions energy: -378.453 where: short stacking energy: -173.352 Base-Backbone interact. energy: -2.125 local terms energy: -240.572310 where: bonds (distance) C4'-P energy: -55.660 bonds (distance) P-C4' energy: -57.637 flat angles C4'-P-C4' energy: -55.131 flat angles P-C4'-P energy: -48.529 tors. eta vs tors. theta energy: -23.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -417.631703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.631703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.631703 (E_RNA) where: Base-Base interactions energy: -219.627 where: short stacking energy: -119.832 Base-Backbone interact. energy: -1.912 local terms energy: -196.091862 where: bonds (distance) C4'-P energy: -44.146 bonds (distance) P-C4' energy: -56.709 flat angles C4'-P-C4' energy: -48.776 flat angles P-C4'-P energy: -37.996 tors. eta vs tors. theta energy: -8.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -344.408143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -344.408143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -344.408143 (E_RNA) where: Base-Base interactions energy: -160.730 where: short stacking energy: -89.531 Base-Backbone interact. energy: 0.933 local terms energy: -184.611171 where: bonds (distance) C4'-P energy: -43.739 bonds (distance) P-C4' energy: -58.463 flat angles C4'-P-C4' energy: -56.977 flat angles P-C4'-P energy: -25.365 tors. eta vs tors. theta energy: -0.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -1141.230882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.230882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.230882 (E_RNA) where: Base-Base interactions energy: -785.732 where: short stacking energy: -309.133 Base-Backbone interact. energy: -1.236 local terms energy: -354.263045 where: bonds (distance) C4'-P energy: -68.772 bonds (distance) P-C4' energy: -72.479 flat angles C4'-P-C4' energy: -71.270 flat angles P-C4'-P energy: -51.070 tors. eta vs tors. theta energy: -90.672 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: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -1058.368058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.368058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.368058 (E_RNA) where: Base-Base interactions energy: -728.457 where: short stacking energy: -324.281 Base-Backbone interact. energy: -1.236 local terms energy: -328.674990 where: bonds (distance) C4'-P energy: -71.999 bonds (distance) P-C4' energy: -53.002 flat angles C4'-P-C4' energy: -77.949 flat angles P-C4'-P energy: -41.051 tors. eta vs tors. theta energy: -84.675 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: 3 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -1012.461360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.461360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.461360 (E_RNA) where: Base-Base interactions energy: -678.595 where: short stacking energy: -289.274 Base-Backbone interact. energy: -0.780 local terms energy: -333.086302 where: bonds (distance) C4'-P energy: -70.115 bonds (distance) P-C4' energy: -66.191 flat angles C4'-P-C4' energy: -69.373 flat angles P-C4'-P energy: -49.607 tors. eta vs tors. theta energy: -77.799 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: 6 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -946.810130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.810130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.810130 (E_RNA) where: Base-Base interactions energy: -642.426 where: short stacking energy: -279.001 Base-Backbone interact. energy: -0.631 local terms energy: -303.752824 where: bonds (distance) C4'-P energy: -65.137 bonds (distance) P-C4' energy: -63.602 flat angles C4'-P-C4' energy: -65.602 flat angles P-C4'-P energy: -45.246 tors. eta vs tors. theta energy: -64.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -858.424014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.424014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.424014 (E_RNA) where: Base-Base interactions energy: -571.202 where: short stacking energy: -237.618 Base-Backbone interact. energy: -2.372 local terms energy: -284.849619 where: bonds (distance) C4'-P energy: -55.951 bonds (distance) P-C4' energy: -64.503 flat angles C4'-P-C4' energy: -59.666 flat angles P-C4'-P energy: -44.911 tors. eta vs tors. theta energy: -59.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -736.281064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.281064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.281064 (E_RNA) where: Base-Base interactions energy: -465.900 where: short stacking energy: -218.646 Base-Backbone interact. energy: -2.022 local terms energy: -268.358348 where: bonds (distance) C4'-P energy: -48.515 bonds (distance) P-C4' energy: -66.986 flat angles C4'-P-C4' energy: -61.424 flat angles P-C4'-P energy: -48.831 tors. eta vs tors. theta energy: -42.602 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: 5 ===================================== Write number: 121 Temperature: 1.200000 Total energy: -619.000271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.000271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.000271 (E_RNA) where: Base-Base interactions energy: -359.620 where: short stacking energy: -164.756 Base-Backbone interact. energy: 0.178 local terms energy: -259.557485 where: bonds (distance) C4'-P energy: -49.969 bonds (distance) P-C4' energy: -75.090 flat angles C4'-P-C4' energy: -67.733 flat angles P-C4'-P energy: -32.568 tors. eta vs tors. theta energy: -34.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -634.830374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.830374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.830374 (E_RNA) where: Base-Base interactions energy: -389.153 where: short stacking energy: -194.645 Base-Backbone interact. energy: 1.037 local terms energy: -246.714782 where: bonds (distance) C4'-P energy: -58.992 bonds (distance) P-C4' energy: -52.106 flat angles C4'-P-C4' energy: -57.420 flat angles P-C4'-P energy: -37.202 tors. eta vs tors. theta energy: -40.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -508.118003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.118003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.118003 (E_RNA) where: Base-Base interactions energy: -289.799 where: short stacking energy: -141.286 Base-Backbone interact. energy: -0.284 local terms energy: -218.035344 where: bonds (distance) C4'-P energy: -45.710 bonds (distance) P-C4' energy: -57.465 flat angles C4'-P-C4' energy: -63.367 flat angles P-C4'-P energy: -35.094 tors. eta vs tors. theta energy: -16.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -340.090403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.090403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.090403 (E_RNA) where: Base-Base interactions energy: -148.607 where: short stacking energy: -91.343 Base-Backbone interact. energy: -1.213 local terms energy: -190.270163 where: bonds (distance) C4'-P energy: -39.595 bonds (distance) P-C4' energy: -63.756 flat angles C4'-P-C4' energy: -50.874 flat angles P-C4'-P energy: -42.108 tors. eta vs tors. theta energy: 6.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -1138.060467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.060467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.060467 (E_RNA) where: Base-Base interactions energy: -783.026 where: short stacking energy: -327.159 Base-Backbone interact. energy: -0.653 local terms energy: -354.381474 where: bonds (distance) C4'-P energy: -67.767 bonds (distance) P-C4' energy: -66.669 flat angles C4'-P-C4' energy: -76.517 flat angles P-C4'-P energy: -48.678 tors. eta vs tors. theta energy: -94.750 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: 2, replica: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -1068.625726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.625726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.625726 (E_RNA) where: Base-Base interactions energy: -730.484 where: short stacking energy: -289.223 Base-Backbone interact. energy: -0.836 local terms energy: -337.305098 where: bonds (distance) C4'-P energy: -69.025 bonds (distance) P-C4' energy: -64.043 flat angles C4'-P-C4' energy: -74.242 flat angles P-C4'-P energy: -46.731 tors. eta vs tors. theta energy: -83.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -1034.186000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.186000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.186000 (E_RNA) where: Base-Base interactions energy: -706.814 where: short stacking energy: -294.058 Base-Backbone interact. energy: -1.400 local terms energy: -325.972150 where: bonds (distance) C4'-P energy: -56.991 bonds (distance) P-C4' energy: -70.155 flat angles C4'-P-C4' energy: -65.737 flat angles P-C4'-P energy: -49.486 tors. eta vs tors. theta energy: -83.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -917.295920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.295920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.295920 (E_RNA) where: Base-Base interactions energy: -623.439 where: short stacking energy: -244.136 Base-Backbone interact. energy: -2.294 local terms energy: -291.563050 where: bonds (distance) C4'-P energy: -46.187 bonds (distance) P-C4' energy: -69.923 flat angles C4'-P-C4' energy: -68.485 flat angles P-C4'-P energy: -43.463 tors. eta vs tors. theta energy: -63.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -909.122432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.122432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.122432 (E_RNA) where: Base-Base interactions energy: -611.192 where: short stacking energy: -231.866 Base-Backbone interact. energy: 0.173 local terms energy: -298.102576 where: bonds (distance) C4'-P energy: -58.247 bonds (distance) P-C4' energy: -65.657 flat angles C4'-P-C4' energy: -61.645 flat angles P-C4'-P energy: -47.430 tors. eta vs tors. theta energy: -65.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -723.834088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.834088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.834088 (E_RNA) where: Base-Base interactions energy: -444.155 where: short stacking energy: -205.192 Base-Backbone interact. energy: -2.037 local terms energy: -277.641986 where: bonds (distance) C4'-P energy: -60.603 bonds (distance) P-C4' energy: -62.898 flat angles C4'-P-C4' energy: -58.846 flat angles P-C4'-P energy: -44.275 tors. eta vs tors. theta energy: -51.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -674.773895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.773895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.773895 (E_RNA) where: Base-Base interactions energy: -427.754 where: short stacking energy: -206.301 Base-Backbone interact. energy: -2.390 local terms energy: -244.630487 where: bonds (distance) C4'-P energy: -52.588 bonds (distance) P-C4' energy: -45.029 flat angles C4'-P-C4' energy: -57.777 flat angles P-C4'-P energy: -39.769 tors. eta vs tors. theta energy: -49.467 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: 5 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -596.761232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.761232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.761232 (E_RNA) where: Base-Base interactions energy: -364.803 where: short stacking energy: -168.703 Base-Backbone interact. energy: -1.540 local terms energy: -230.417934 where: bonds (distance) C4'-P energy: -48.238 bonds (distance) P-C4' energy: -52.832 flat angles C4'-P-C4' energy: -57.652 flat angles P-C4'-P energy: -44.391 tors. eta vs tors. theta energy: -27.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -500.590215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.590215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.590215 (E_RNA) where: Base-Base interactions energy: -276.538 where: short stacking energy: -125.542 Base-Backbone interact. energy: -1.582 local terms energy: -222.471014 where: bonds (distance) C4'-P energy: -63.415 bonds (distance) P-C4' energy: -68.378 flat angles C4'-P-C4' energy: -40.918 flat angles P-C4'-P energy: -42.768 tors. eta vs tors. theta energy: -6.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -288.422996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.422996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.422996 (E_RNA) where: Base-Base interactions energy: -123.918 where: short stacking energy: -100.222 Base-Backbone interact. energy: -1.248 local terms energy: -163.256663 where: bonds (distance) C4'-P energy: -50.245 bonds (distance) P-C4' energy: -51.780 flat angles C4'-P-C4' energy: -34.485 flat angles P-C4'-P energy: -27.454 tors. eta vs tors. theta energy: 0.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -1152.762114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.762114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.762114 (E_RNA) where: Base-Base interactions energy: -792.917 where: short stacking energy: -332.907 Base-Backbone interact. energy: -2.678 local terms energy: -357.167671 where: bonds (distance) C4'-P energy: -54.999 bonds (distance) P-C4' energy: -73.510 flat angles C4'-P-C4' energy: -69.870 flat angles P-C4'-P energy: -54.759 tors. eta vs tors. theta energy: -104.029 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: 2, replica: 1 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -1065.239097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.239097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.239097 (E_RNA) where: Base-Base interactions energy: -743.955 where: short stacking energy: -286.287 Base-Backbone interact. energy: -0.660 local terms energy: -320.624697 where: bonds (distance) C4'-P energy: -62.692 bonds (distance) P-C4' energy: -60.507 flat angles C4'-P-C4' energy: -67.417 flat angles P-C4'-P energy: -50.373 tors. eta vs tors. theta energy: -79.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -1037.452627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.452627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.452627 (E_RNA) where: Base-Base interactions energy: -718.750 where: short stacking energy: -263.037 Base-Backbone interact. energy: 1.460 local terms energy: -320.162441 where: bonds (distance) C4'-P energy: -61.047 bonds (distance) P-C4' energy: -62.861 flat angles C4'-P-C4' energy: -73.797 flat angles P-C4'-P energy: -48.983 tors. eta vs tors. theta energy: -73.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 123 Temperature: 1.050000 Total energy: -953.502135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.502135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.502135 (E_RNA) where: Base-Base interactions energy: -675.570 where: short stacking energy: -275.051 Base-Backbone interact. energy: -2.132 local terms energy: -275.800127 where: bonds (distance) C4'-P energy: -48.847 bonds (distance) P-C4' energy: -50.592 flat angles C4'-P-C4' energy: -67.686 flat angles P-C4'-P energy: -40.483 tors. eta vs tors. theta energy: -68.192 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -895.196812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.196812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.196812 (E_RNA) where: Base-Base interactions energy: -587.539 where: short stacking energy: -249.937 Base-Backbone interact. energy: 1.252 local terms energy: -308.909815 where: bonds (distance) C4'-P energy: -57.629 bonds (distance) P-C4' energy: -63.402 flat angles C4'-P-C4' energy: -72.687 flat angles P-C4'-P energy: -39.857 tors. eta vs tors. theta energy: -75.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -660.357742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.357742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.357742 (E_RNA) where: Base-Base interactions energy: -423.977 where: short stacking energy: -194.985 Base-Backbone interact. energy: -2.316 local terms energy: -234.064877 where: bonds (distance) C4'-P energy: -56.989 bonds (distance) P-C4' energy: -54.475 flat angles C4'-P-C4' energy: -58.009 flat angles P-C4'-P energy: -32.401 tors. eta vs tors. theta energy: -32.191 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: 9 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -687.940489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.940489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.940489 (E_RNA) where: Base-Base interactions energy: -432.994 where: short stacking energy: -192.057 Base-Backbone interact. energy: -1.965 local terms energy: -252.982340 where: bonds (distance) C4'-P energy: -51.977 bonds (distance) P-C4' energy: -70.969 flat angles C4'-P-C4' energy: -57.923 flat angles P-C4'-P energy: -38.984 tors. eta vs tors. theta energy: -33.130 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: 5 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -599.537752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.537752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.537752 (E_RNA) where: Base-Base interactions energy: -376.827 where: short stacking energy: -164.661 Base-Backbone interact. energy: 0.704 local terms energy: -223.414129 where: bonds (distance) C4'-P energy: -61.165 bonds (distance) P-C4' energy: -64.045 flat angles C4'-P-C4' energy: -43.639 flat angles P-C4'-P energy: -26.894 tors. eta vs tors. theta energy: -27.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -499.929075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.929075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.929075 (E_RNA) where: Base-Base interactions energy: -296.386 where: short stacking energy: -130.446 Base-Backbone interact. energy: -0.530 local terms energy: -203.013152 where: bonds (distance) C4'-P energy: -61.070 bonds (distance) P-C4' energy: -66.827 flat angles C4'-P-C4' energy: -26.268 flat angles P-C4'-P energy: -31.598 tors. eta vs tors. theta energy: -17.250 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: 4 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -307.011488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -307.011488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -307.011488 (E_RNA) where: Base-Base interactions energy: -130.099 where: short stacking energy: -85.825 Base-Backbone interact. energy: 3.326 local terms energy: -180.238254 where: bonds (distance) C4'-P energy: -50.470 bonds (distance) P-C4' energy: -59.275 flat angles C4'-P-C4' energy: -45.573 flat angles P-C4'-P energy: -21.192 tors. eta vs tors. theta energy: -3.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -1155.535096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.535096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.535096 (E_RNA) where: Base-Base interactions energy: -800.655 where: short stacking energy: -334.260 Base-Backbone interact. energy: -1.829 local terms energy: -353.050809 where: bonds (distance) C4'-P energy: -69.446 bonds (distance) P-C4' energy: -70.784 flat angles C4'-P-C4' energy: -73.148 flat angles P-C4'-P energy: -44.892 tors. eta vs tors. theta energy: -94.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -1062.217220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.217220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.217220 (E_RNA) where: Base-Base interactions energy: -729.464 where: short stacking energy: -298.531 Base-Backbone interact. energy: -0.483 local terms energy: -332.271000 where: bonds (distance) C4'-P energy: -64.425 bonds (distance) P-C4' energy: -62.719 flat angles C4'-P-C4' energy: -75.122 flat angles P-C4'-P energy: -48.172 tors. eta vs tors. theta energy: -81.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -1042.043177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.043177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.043177 (E_RNA) where: Base-Base interactions energy: -728.173 where: short stacking energy: -280.810 Base-Backbone interact. energy: -2.206 local terms energy: -311.664236 where: bonds (distance) C4'-P energy: -60.412 bonds (distance) P-C4' energy: -63.316 flat angles C4'-P-C4' energy: -67.163 flat angles P-C4'-P energy: -44.991 tors. eta vs tors. theta energy: -75.782 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: 2 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -994.786186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -994.786186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -994.786186 (E_RNA) where: Base-Base interactions energy: -692.157 where: short stacking energy: -274.757 Base-Backbone interact. energy: 1.971 local terms energy: -304.600252 where: bonds (distance) C4'-P energy: -63.002 bonds (distance) P-C4' energy: -62.559 flat angles C4'-P-C4' energy: -69.926 flat angles P-C4'-P energy: -45.533 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: 5, replica: 6 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -861.669899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.669899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.669899 (E_RNA) where: Base-Base interactions energy: -568.846 where: short stacking energy: -249.663 Base-Backbone interact. energy: -1.279 local terms energy: -291.545292 where: bonds (distance) C4'-P energy: -57.647 bonds (distance) P-C4' energy: -64.398 flat angles C4'-P-C4' energy: -65.489 flat angles P-C4'-P energy: -36.848 tors. eta vs tors. theta energy: -67.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -722.495894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.495894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.495894 (E_RNA) where: Base-Base interactions energy: -471.336 where: short stacking energy: -199.382 Base-Backbone interact. energy: -1.469 local terms energy: -249.690806 where: bonds (distance) C4'-P energy: -58.568 bonds (distance) P-C4' energy: -55.373 flat angles C4'-P-C4' energy: -64.133 flat angles P-C4'-P energy: -36.140 tors. eta vs tors. theta energy: -35.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -714.463277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.463277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.463277 (E_RNA) where: Base-Base interactions energy: -470.794 where: short stacking energy: -223.103 Base-Backbone interact. energy: -0.665 local terms energy: -243.004638 where: bonds (distance) C4'-P energy: -45.286 bonds (distance) P-C4' energy: -50.340 flat angles C4'-P-C4' energy: -64.413 flat angles P-C4'-P energy: -44.165 tors. eta vs tors. theta energy: -38.800 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: 5 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -627.214563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.214563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.214563 (E_RNA) where: Base-Base interactions energy: -398.506 where: short stacking energy: -181.381 Base-Backbone interact. energy: -2.651 local terms energy: -226.057788 where: bonds (distance) C4'-P energy: -43.014 bonds (distance) P-C4' energy: -54.786 flat angles C4'-P-C4' energy: -49.999 flat angles P-C4'-P energy: -35.607 tors. eta vs tors. theta energy: -42.652 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: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -521.191388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.191388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.191388 (E_RNA) where: Base-Base interactions energy: -301.381 where: short stacking energy: -148.656 Base-Backbone interact. energy: -2.780 local terms energy: -217.030122 where: bonds (distance) C4'-P energy: -62.613 bonds (distance) P-C4' energy: -51.594 flat angles C4'-P-C4' energy: -58.692 flat angles P-C4'-P energy: -23.198 tors. eta vs tors. theta energy: -20.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -285.789954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.789954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.789954 (E_RNA) where: Base-Base interactions energy: -137.494 where: short stacking energy: -72.642 Base-Backbone interact. energy: 2.495 local terms energy: -150.790868 where: bonds (distance) C4'-P energy: -43.602 bonds (distance) P-C4' energy: -63.440 flat angles C4'-P-C4' energy: -38.803 flat angles P-C4'-P energy: -18.629 tors. eta vs tors. theta energy: 13.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -1144.116373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.116373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.116373 (E_RNA) where: Base-Base interactions energy: -779.783 where: short stacking energy: -311.956 Base-Backbone interact. energy: -2.199 local terms energy: -362.133872 where: bonds (distance) C4'-P energy: -63.243 bonds (distance) P-C4' energy: -72.963 flat angles C4'-P-C4' energy: -73.383 flat angles P-C4'-P energy: -56.367 tors. eta vs tors. theta energy: -96.179 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: 1 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -1100.024285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.024285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.024285 (E_RNA) where: Base-Base interactions energy: -757.459 where: short stacking energy: -319.507 Base-Backbone interact. energy: -4.357 local terms energy: -338.207885 where: bonds (distance) C4'-P energy: -71.745 bonds (distance) P-C4' energy: -67.016 flat angles C4'-P-C4' energy: -61.603 flat angles P-C4'-P energy: -51.800 tors. eta vs tors. theta energy: -86.044 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: 3, replica: 3 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -1035.851586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.851586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.851586 (E_RNA) where: Base-Base interactions energy: -720.116 where: short stacking energy: -290.084 Base-Backbone interact. energy: -0.794 local terms energy: -314.941851 where: bonds (distance) C4'-P energy: -52.444 bonds (distance) P-C4' energy: -66.993 flat angles C4'-P-C4' energy: -67.249 flat angles P-C4'-P energy: -47.037 tors. eta vs tors. theta energy: -81.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -974.049442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.049442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.049442 (E_RNA) where: Base-Base interactions energy: -679.821 where: short stacking energy: -280.297 Base-Backbone interact. energy: -3.894 local terms energy: -290.334127 where: bonds (distance) C4'-P energy: -54.066 bonds (distance) P-C4' energy: -59.600 flat angles C4'-P-C4' energy: -71.220 flat angles P-C4'-P energy: -32.296 tors. eta vs tors. theta energy: -73.151 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: 6 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -909.507193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.507193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.507193 (E_RNA) where: Base-Base interactions energy: -591.972 where: short stacking energy: -262.177 Base-Backbone interact. energy: -0.190 local terms energy: -317.345018 where: bonds (distance) C4'-P energy: -49.885 bonds (distance) P-C4' energy: -66.223 flat angles C4'-P-C4' energy: -66.117 flat angles P-C4'-P energy: -56.484 tors. eta vs tors. theta energy: -78.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -756.858944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.858944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.858944 (E_RNA) where: Base-Base interactions energy: -496.629 where: short stacking energy: -206.895 Base-Backbone interact. energy: -0.709 local terms energy: -259.521165 where: bonds (distance) C4'-P energy: -66.962 bonds (distance) P-C4' energy: -56.334 flat angles C4'-P-C4' energy: -55.975 flat angles P-C4'-P energy: -36.102 tors. eta vs tors. theta energy: -44.149 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: 9 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -689.316401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.316401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.316401 (E_RNA) where: Base-Base interactions energy: -440.682 where: short stacking energy: -191.564 Base-Backbone interact. energy: -0.480 local terms energy: -248.153710 where: bonds (distance) C4'-P energy: -48.187 bonds (distance) P-C4' energy: -57.256 flat angles C4'-P-C4' energy: -65.703 flat angles P-C4'-P energy: -31.845 tors. eta vs tors. theta energy: -45.163 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: 5 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -600.891615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.891615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.891615 (E_RNA) where: Base-Base interactions energy: -359.338 where: short stacking energy: -169.555 Base-Backbone interact. energy: -0.432 local terms energy: -241.121366 where: bonds (distance) C4'-P energy: -60.344 bonds (distance) P-C4' energy: -66.812 flat angles C4'-P-C4' energy: -48.990 flat angles P-C4'-P energy: -30.758 tors. eta vs tors. theta energy: -34.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -523.481455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.481455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.481455 (E_RNA) where: Base-Base interactions energy: -308.522 where: short stacking energy: -153.956 Base-Backbone interact. energy: 5.562 local terms energy: -220.522062 where: bonds (distance) C4'-P energy: -50.129 bonds (distance) P-C4' energy: -66.787 flat angles C4'-P-C4' energy: -43.061 flat angles P-C4'-P energy: -36.260 tors. eta vs tors. theta energy: -24.286 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -284.571625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.571625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.571625 (E_RNA) where: Base-Base interactions energy: -96.371 where: short stacking energy: -82.231 Base-Backbone interact. energy: -0.628 local terms energy: -187.572940 where: bonds (distance) C4'-P energy: -52.107 bonds (distance) P-C4' energy: -51.649 flat angles C4'-P-C4' energy: -48.747 flat angles P-C4'-P energy: -40.714 tors. eta vs tors. theta energy: 5.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -1138.150799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.150799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.150799 (E_RNA) where: Base-Base interactions energy: -789.146 where: short stacking energy: -311.425 Base-Backbone interact. energy: -0.662 local terms energy: -348.342863 where: bonds (distance) C4'-P energy: -66.498 bonds (distance) P-C4' energy: -68.547 flat angles C4'-P-C4' energy: -72.042 flat angles P-C4'-P energy: -52.689 tors. eta vs tors. theta energy: -88.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -1091.032027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.032027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.032027 (E_RNA) where: Base-Base interactions energy: -739.915 where: short stacking energy: -324.260 Base-Backbone interact. energy: -0.214 local terms energy: -350.903559 where: bonds (distance) C4'-P energy: -67.690 bonds (distance) P-C4' energy: -64.598 flat angles C4'-P-C4' energy: -75.136 flat angles P-C4'-P energy: -54.237 tors. eta vs tors. theta energy: -89.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -1024.448320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.448320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.448320 (E_RNA) where: Base-Base interactions energy: -712.609 where: short stacking energy: -272.458 Base-Backbone interact. energy: -0.503 local terms energy: -311.337052 where: bonds (distance) C4'-P energy: -57.885 bonds (distance) P-C4' energy: -66.347 flat angles C4'-P-C4' energy: -61.336 flat angles P-C4'-P energy: -46.661 tors. eta vs tors. theta energy: -79.108 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: 4, replica: 2 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -964.023256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.023256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.023256 (E_RNA) where: Base-Base interactions energy: -665.216 where: short stacking energy: -280.763 Base-Backbone interact. energy: 3.818 local terms energy: -302.625086 where: bonds (distance) C4'-P energy: -63.954 bonds (distance) P-C4' energy: -58.554 flat angles C4'-P-C4' energy: -70.884 flat angles P-C4'-P energy: -41.218 tors. eta vs tors. theta energy: -68.016 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: 6 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -892.308801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.308801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.308801 (E_RNA) where: Base-Base interactions energy: -583.450 where: short stacking energy: -265.151 Base-Backbone interact. energy: -1.967 local terms energy: -306.892230 where: bonds (distance) C4'-P energy: -52.439 bonds (distance) P-C4' energy: -65.158 flat angles C4'-P-C4' energy: -64.541 flat angles P-C4'-P energy: -45.600 tors. eta vs tors. theta energy: -79.154 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: 10 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -744.227348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.227348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.227348 (E_RNA) where: Base-Base interactions energy: -494.906 where: short stacking energy: -212.135 Base-Backbone interact. energy: 2.073 local terms energy: -251.394308 where: bonds (distance) C4'-P energy: -52.186 bonds (distance) P-C4' energy: -60.656 flat angles C4'-P-C4' energy: -58.504 flat angles P-C4'-P energy: -39.463 tors. eta vs tors. theta energy: -40.585 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: 9 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -678.260864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.260864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.260864 (E_RNA) where: Base-Base interactions energy: -442.646 where: short stacking energy: -186.062 Base-Backbone interact. energy: -0.868 local terms energy: -234.747166 where: bonds (distance) C4'-P energy: -55.140 bonds (distance) P-C4' energy: -54.739 flat angles C4'-P-C4' energy: -50.055 flat angles P-C4'-P energy: -44.575 tors. eta vs tors. theta energy: -30.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -584.419704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.419704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.419704 (E_RNA) where: Base-Base interactions energy: -361.754 where: short stacking energy: -164.867 Base-Backbone interact. energy: -1.059 local terms energy: -221.606323 where: bonds (distance) C4'-P energy: -53.614 bonds (distance) P-C4' energy: -60.469 flat angles C4'-P-C4' energy: -56.394 flat angles P-C4'-P energy: -21.606 tors. eta vs tors. theta energy: -29.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -535.608562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.608562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.608562 (E_RNA) where: Base-Base interactions energy: -312.486 where: short stacking energy: -151.987 Base-Backbone interact. energy: -1.409 local terms energy: -221.713936 where: bonds (distance) C4'-P energy: -46.271 bonds (distance) P-C4' energy: -51.617 flat angles C4'-P-C4' energy: -64.414 flat angles P-C4'-P energy: -28.326 tors. eta vs tors. theta energy: -31.085 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: 4 ===================================== Write number: 126 Temperature: 1.350000 Total energy: -276.318832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.318832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.318832 (E_RNA) where: Base-Base interactions energy: -94.235 where: short stacking energy: -93.440 Base-Backbone interact. energy: 1.587 local terms energy: -183.671014 where: bonds (distance) C4'-P energy: -50.267 bonds (distance) P-C4' energy: -66.594 flat angles C4'-P-C4' energy: -52.464 flat angles P-C4'-P energy: -21.846 tors. eta vs tors. theta energy: 7.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -1139.243708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.243708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.243708 (E_RNA) where: Base-Base interactions energy: -778.550 where: short stacking energy: -325.446 Base-Backbone interact. energy: -2.164 local terms energy: -358.529512 where: bonds (distance) C4'-P energy: -62.084 bonds (distance) P-C4' energy: -72.922 flat angles C4'-P-C4' energy: -70.510 flat angles P-C4'-P energy: -56.290 tors. eta vs tors. theta energy: -96.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 127 Temperature: 0.950000 Total energy: -1081.695926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.695926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.695926 (E_RNA) where: Base-Base interactions energy: -731.627 where: short stacking energy: -316.933 Base-Backbone interact. energy: -1.947 local terms energy: -348.122440 where: bonds (distance) C4'-P energy: -63.440 bonds (distance) P-C4' energy: -70.835 flat angles C4'-P-C4' energy: -77.542 flat angles P-C4'-P energy: -48.850 tors. eta vs tors. theta energy: -87.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -1074.489714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.489714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.489714 (E_RNA) where: Base-Base interactions energy: -755.027 where: short stacking energy: -292.598 Base-Backbone interact. energy: -3.858 local terms energy: -315.604409 where: bonds (distance) C4'-P energy: -53.360 bonds (distance) P-C4' energy: -59.120 flat angles C4'-P-C4' energy: -57.024 flat angles P-C4'-P energy: -57.293 tors. eta vs tors. theta energy: -88.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -1008.169913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.169913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.169913 (E_RNA) where: Base-Base interactions energy: -675.851 where: short stacking energy: -277.925 Base-Backbone interact. energy: -3.576 local terms energy: -328.743268 where: bonds (distance) C4'-P energy: -57.294 bonds (distance) P-C4' energy: -71.755 flat angles C4'-P-C4' energy: -72.175 flat angles P-C4'-P energy: -49.677 tors. eta vs tors. theta energy: -77.842 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: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -857.741484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.741484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.741484 (E_RNA) where: Base-Base interactions energy: -573.819 where: short stacking energy: -254.889 Base-Backbone interact. energy: 3.109 local terms energy: -287.031441 where: bonds (distance) C4'-P energy: -49.304 bonds (distance) P-C4' energy: -60.378 flat angles C4'-P-C4' energy: -70.770 flat angles P-C4'-P energy: -36.727 tors. eta vs tors. theta energy: -69.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -738.171062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.171062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.171062 (E_RNA) where: Base-Base interactions energy: -499.544 where: short stacking energy: -193.072 Base-Backbone interact. energy: 1.600 local terms energy: -240.226834 where: bonds (distance) C4'-P energy: -60.616 bonds (distance) P-C4' energy: -47.713 flat angles C4'-P-C4' energy: -65.443 flat angles P-C4'-P energy: -32.286 tors. eta vs tors. theta energy: -34.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -682.938059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.938059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.938059 (E_RNA) where: Base-Base interactions energy: -435.173 where: short stacking energy: -200.816 Base-Backbone interact. energy: -1.543 local terms energy: -246.221204 where: bonds (distance) C4'-P energy: -47.183 bonds (distance) P-C4' energy: -60.499 flat angles C4'-P-C4' energy: -57.020 flat angles P-C4'-P energy: -33.104 tors. eta vs tors. theta energy: -48.415 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: 8, replica: 7 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -596.353015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.353015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.353015 (E_RNA) where: Base-Base interactions energy: -368.437 where: short stacking energy: -194.246 Base-Backbone interact. energy: -0.353 local terms energy: -227.562526 where: bonds (distance) C4'-P energy: -53.017 bonds (distance) P-C4' energy: -45.884 flat angles C4'-P-C4' energy: -57.771 flat angles P-C4'-P energy: -37.523 tors. eta vs tors. theta energy: -33.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -604.527811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.527811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.527811 (E_RNA) where: Base-Base interactions energy: -368.632 where: short stacking energy: -192.444 Base-Backbone interact. energy: 0.860 local terms energy: -236.755457 where: bonds (distance) C4'-P energy: -61.228 bonds (distance) P-C4' energy: -60.187 flat angles C4'-P-C4' energy: -55.232 flat angles P-C4'-P energy: -24.415 tors. eta vs tors. theta energy: -35.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -292.474969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.474969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.474969 (E_RNA) where: Base-Base interactions energy: -115.099 where: short stacking energy: -72.091 Base-Backbone interact. energy: -2.317 local terms energy: -175.059661 where: bonds (distance) C4'-P energy: -57.289 bonds (distance) P-C4' energy: -57.750 flat angles C4'-P-C4' energy: -35.443 flat angles P-C4'-P energy: -39.754 tors. eta vs tors. theta energy: 15.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -1150.904988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.904988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.904988 (E_RNA) where: Base-Base interactions energy: -799.868 where: short stacking energy: -342.238 Base-Backbone interact. energy: -2.328 local terms energy: -348.709019 where: bonds (distance) C4'-P energy: -64.687 bonds (distance) P-C4' energy: -61.866 flat angles C4'-P-C4' energy: -72.926 flat angles P-C4'-P energy: -54.656 tors. eta vs tors. theta energy: -94.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -1057.868169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.868169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.868169 (E_RNA) where: Base-Base interactions energy: -721.637 where: short stacking energy: -281.596 Base-Backbone interact. energy: -2.021 local terms energy: -334.209929 where: bonds (distance) C4'-P energy: -67.951 bonds (distance) P-C4' energy: -63.821 flat angles C4'-P-C4' energy: -74.288 flat angles P-C4'-P energy: -53.027 tors. eta vs tors. theta energy: -75.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -1038.132006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.132006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.132006 (E_RNA) where: Base-Base interactions energy: -718.766 where: short stacking energy: -293.166 Base-Backbone interact. energy: 0.192 local terms energy: -319.557592 where: bonds (distance) C4'-P energy: -59.837 bonds (distance) P-C4' energy: -55.795 flat angles C4'-P-C4' energy: -70.888 flat angles P-C4'-P energy: -51.699 tors. eta vs tors. theta energy: -81.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -984.377858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.377858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.377858 (E_RNA) where: Base-Base interactions energy: -677.987 where: short stacking energy: -282.345 Base-Backbone interact. energy: 1.952 local terms energy: -308.343370 where: bonds (distance) C4'-P energy: -60.759 bonds (distance) P-C4' energy: -55.306 flat angles C4'-P-C4' energy: -73.597 flat angles P-C4'-P energy: -44.009 tors. eta vs tors. theta energy: -74.673 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: 5, replica: 6 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -854.653501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.653501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.653501 (E_RNA) where: Base-Base interactions energy: -563.633 where: short stacking energy: -260.070 Base-Backbone interact. energy: -1.144 local terms energy: -289.875897 where: bonds (distance) C4'-P energy: -51.010 bonds (distance) P-C4' energy: -59.723 flat angles C4'-P-C4' energy: -62.449 flat angles P-C4'-P energy: -49.682 tors. eta vs tors. theta energy: -67.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -740.892638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.892638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.892638 (E_RNA) where: Base-Base interactions energy: -471.827 where: short stacking energy: -210.920 Base-Backbone interact. energy: -0.428 local terms energy: -268.636778 where: bonds (distance) C4'-P energy: -49.657 bonds (distance) P-C4' energy: -64.134 flat angles C4'-P-C4' energy: -57.100 flat angles P-C4'-P energy: -41.224 tors. eta vs tors. theta energy: -56.523 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: 9 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -683.799862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.799862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.799862 (E_RNA) where: Base-Base interactions energy: -435.446 where: short stacking energy: -193.968 Base-Backbone interact. energy: 1.147 local terms energy: -249.500325 where: bonds (distance) C4'-P energy: -51.450 bonds (distance) P-C4' energy: -58.797 flat angles C4'-P-C4' energy: -59.597 flat angles P-C4'-P energy: -44.450 tors. eta vs tors. theta energy: -35.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -566.500613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.500613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.500613 (E_RNA) where: Base-Base interactions energy: -358.726 where: short stacking energy: -158.714 Base-Backbone interact. energy: 2.329 local terms energy: -210.104047 where: bonds (distance) C4'-P energy: -59.157 bonds (distance) P-C4' energy: -53.528 flat angles C4'-P-C4' energy: -51.740 flat angles P-C4'-P energy: -24.420 tors. eta vs tors. theta energy: -21.259 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: 5 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -551.579643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.579643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.579643 (E_RNA) where: Base-Base interactions energy: -345.241 where: short stacking energy: -154.483 Base-Backbone interact. energy: -2.256 local terms energy: -204.082411 where: bonds (distance) C4'-P energy: -57.899 bonds (distance) P-C4' energy: -52.823 flat angles C4'-P-C4' energy: -51.177 flat angles P-C4'-P energy: -27.504 tors. eta vs tors. theta energy: -14.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -325.601029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.601029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.601029 (E_RNA) where: Base-Base interactions energy: -134.420 where: short stacking energy: -94.652 Base-Backbone interact. energy: -0.500 local terms energy: -190.681170 where: bonds (distance) C4'-P energy: -35.864 bonds (distance) P-C4' energy: -63.290 flat angles C4'-P-C4' energy: -61.785 flat angles P-C4'-P energy: -27.099 tors. eta vs tors. theta energy: -2.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -1146.908735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.908735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.908735 (E_RNA) where: Base-Base interactions energy: -774.376 where: short stacking energy: -340.643 Base-Backbone interact. energy: -2.466 local terms energy: -370.066496 where: bonds (distance) C4'-P energy: -66.210 bonds (distance) P-C4' energy: -64.907 flat angles C4'-P-C4' energy: -80.974 flat angles P-C4'-P energy: -60.314 tors. eta vs tors. theta energy: -97.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -1040.975612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.975612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.975612 (E_RNA) where: Base-Base interactions energy: -723.710 where: short stacking energy: -296.424 Base-Backbone interact. energy: -0.944 local terms energy: -316.322294 where: bonds (distance) C4'-P energy: -66.454 bonds (distance) P-C4' energy: -58.211 flat angles C4'-P-C4' energy: -66.966 flat angles P-C4'-P energy: -50.816 tors. eta vs tors. theta energy: -73.875 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: 1 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -1063.401845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.401845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.401845 (E_RNA) where: Base-Base interactions energy: -728.285 where: short stacking energy: -309.712 Base-Backbone interact. energy: 0.512 local terms energy: -335.629100 where: bonds (distance) C4'-P energy: -55.515 bonds (distance) P-C4' energy: -64.390 flat angles C4'-P-C4' energy: -71.795 flat angles P-C4'-P energy: -56.485 tors. eta vs tors. theta energy: -87.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -986.463872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.463872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.463872 (E_RNA) where: Base-Base interactions energy: -667.944 where: short stacking energy: -270.357 Base-Backbone interact. energy: -1.602 local terms energy: -316.917724 where: bonds (distance) C4'-P energy: -65.138 bonds (distance) P-C4' energy: -63.093 flat angles C4'-P-C4' energy: -64.921 flat angles P-C4'-P energy: -44.810 tors. eta vs tors. theta energy: -78.956 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: 6 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -867.140303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.140303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.140303 (E_RNA) where: Base-Base interactions energy: -569.314 where: short stacking energy: -245.787 Base-Backbone interact. energy: -1.454 local terms energy: -296.372936 where: bonds (distance) C4'-P energy: -52.077 bonds (distance) P-C4' energy: -62.325 flat angles C4'-P-C4' energy: -64.252 flat angles P-C4'-P energy: -49.895 tors. eta vs tors. theta energy: -67.824 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: 10 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -752.257028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.257028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.257028 (E_RNA) where: Base-Base interactions energy: -496.454 where: short stacking energy: -217.950 Base-Backbone interact. energy: -0.392 local terms energy: -255.410388 where: bonds (distance) C4'-P energy: -59.146 bonds (distance) P-C4' energy: -56.516 flat angles C4'-P-C4' energy: -48.692 flat angles P-C4'-P energy: -35.214 tors. eta vs tors. theta energy: -55.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -716.698725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.698725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.698725 (E_RNA) where: Base-Base interactions energy: -469.233 where: short stacking energy: -198.100 Base-Backbone interact. energy: -1.088 local terms energy: -246.377171 where: bonds (distance) C4'-P energy: -61.490 bonds (distance) P-C4' energy: -54.252 flat angles C4'-P-C4' energy: -56.499 flat angles P-C4'-P energy: -33.185 tors. eta vs tors. theta energy: -40.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -577.863247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.863247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.863247 (E_RNA) where: Base-Base interactions energy: -344.240 where: short stacking energy: -151.197 Base-Backbone interact. energy: -2.858 local terms energy: -230.765593 where: bonds (distance) C4'-P energy: -51.375 bonds (distance) P-C4' energy: -62.905 flat angles C4'-P-C4' energy: -54.950 flat angles P-C4'-P energy: -41.349 tors. eta vs tors. theta energy: -20.188 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: 7 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -531.047396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.047396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.047396 (E_RNA) where: Base-Base interactions energy: -314.053 where: short stacking energy: -163.276 Base-Backbone interact. energy: -0.900 local terms energy: -216.094455 where: bonds (distance) C4'-P energy: -47.031 bonds (distance) P-C4' energy: -57.657 flat angles C4'-P-C4' energy: -54.673 flat angles P-C4'-P energy: -37.330 tors. eta vs tors. theta energy: -19.403 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: 4 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -281.142850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.142850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.142850 (E_RNA) where: Base-Base interactions energy: -104.000 where: short stacking energy: -62.087 Base-Backbone interact. energy: 0.563 local terms energy: -177.705964 where: bonds (distance) C4'-P energy: -61.700 bonds (distance) P-C4' energy: -56.763 flat angles C4'-P-C4' energy: -55.225 flat angles P-C4'-P energy: -21.509 tors. eta vs tors. theta energy: 17.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -1122.660529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.660529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.660529 (E_RNA) where: Base-Base interactions energy: -774.465 where: short stacking energy: -325.706 Base-Backbone interact. energy: -3.869 local terms energy: -344.326348 where: bonds (distance) C4'-P energy: -69.622 bonds (distance) P-C4' energy: -67.236 flat angles C4'-P-C4' energy: -72.470 flat angles P-C4'-P energy: -46.845 tors. eta vs tors. theta energy: -88.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -1067.702427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.702427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.702427 (E_RNA) where: Base-Base interactions energy: -749.135 where: short stacking energy: -306.652 Base-Backbone interact. energy: 1.006 local terms energy: -319.573433 where: bonds (distance) C4'-P energy: -64.931 bonds (distance) P-C4' energy: -56.088 flat angles C4'-P-C4' energy: -68.771 flat angles P-C4'-P energy: -45.607 tors. eta vs tors. theta energy: -84.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -1046.124959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.124959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.124959 (E_RNA) where: Base-Base interactions energy: -719.868 where: short stacking energy: -303.851 Base-Backbone interact. energy: 0.352 local terms energy: -326.609596 where: bonds (distance) C4'-P energy: -65.776 bonds (distance) P-C4' energy: -60.420 flat angles C4'-P-C4' energy: -68.563 flat angles P-C4'-P energy: -46.645 tors. eta vs tors. theta energy: -85.205 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: 2 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -977.816347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.816347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.816347 (E_RNA) where: Base-Base interactions energy: -646.835 where: short stacking energy: -259.643 Base-Backbone interact. energy: -0.990 local terms energy: -329.990715 where: bonds (distance) C4'-P energy: -69.952 bonds (distance) P-C4' energy: -64.328 flat angles C4'-P-C4' energy: -62.674 flat angles P-C4'-P energy: -52.988 tors. eta vs tors. theta energy: -80.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -883.975589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.975589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.975589 (E_RNA) where: Base-Base interactions energy: -589.938 where: short stacking energy: -249.594 Base-Backbone interact. energy: 2.335 local terms energy: -296.372373 where: bonds (distance) C4'-P energy: -61.090 bonds (distance) P-C4' energy: -55.795 flat angles C4'-P-C4' energy: -64.463 flat angles P-C4'-P energy: -43.188 tors. eta vs tors. theta energy: -71.835 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: 6, replica: 10 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -773.988987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.988987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.988987 (E_RNA) where: Base-Base interactions energy: -505.066 where: short stacking energy: -222.161 Base-Backbone interact. energy: -3.291 local terms energy: -265.631357 where: bonds (distance) C4'-P energy: -51.161 bonds (distance) P-C4' energy: -53.960 flat angles C4'-P-C4' energy: -62.250 flat angles P-C4'-P energy: -41.167 tors. eta vs tors. theta energy: -57.094 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: 9 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -719.935091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.935091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.935091 (E_RNA) where: Base-Base interactions energy: -473.134 where: short stacking energy: -200.572 Base-Backbone interact. energy: -1.415 local terms energy: -245.385670 where: bonds (distance) C4'-P energy: -50.138 bonds (distance) P-C4' energy: -47.093 flat angles C4'-P-C4' energy: -61.787 flat angles P-C4'-P energy: -44.032 tors. eta vs tors. theta energy: -42.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -569.463688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.463688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.463688 (E_RNA) where: Base-Base interactions energy: -352.537 where: short stacking energy: -154.608 Base-Backbone interact. energy: -0.545 local terms energy: -216.381550 where: bonds (distance) C4'-P energy: -57.310 bonds (distance) P-C4' energy: -52.818 flat angles C4'-P-C4' energy: -52.404 flat angles P-C4'-P energy: -33.483 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: 9, replica: 7 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -565.006509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.006509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.006509 (E_RNA) where: Base-Base interactions energy: -342.831 where: short stacking energy: -156.054 Base-Backbone interact. energy: -0.732 local terms energy: -221.443637 where: bonds (distance) C4'-P energy: -51.444 bonds (distance) P-C4' energy: -59.178 flat angles C4'-P-C4' energy: -52.980 flat angles P-C4'-P energy: -33.167 tors. eta vs tors. theta energy: -24.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -320.763542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.763542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.763542 (E_RNA) where: Base-Base interactions energy: -144.531 where: short stacking energy: -90.854 Base-Backbone interact. energy: -1.693 local terms energy: -174.539263 where: bonds (distance) C4'-P energy: -55.934 bonds (distance) P-C4' energy: -50.396 flat angles C4'-P-C4' energy: -34.792 flat angles P-C4'-P energy: -33.241 tors. eta vs tors. theta energy: -0.175 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: 8 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -1135.483991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.483991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.483991 (E_RNA) where: Base-Base interactions energy: -787.448 where: short stacking energy: -323.289 Base-Backbone interact. energy: -2.261 local terms energy: -345.775238 where: bonds (distance) C4'-P energy: -57.206 bonds (distance) P-C4' energy: -68.797 flat angles C4'-P-C4' energy: -75.549 flat angles P-C4'-P energy: -51.837 tors. eta vs tors. theta energy: -92.387 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: 2, replica: 1 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -1053.990202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.990202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.990202 (E_RNA) where: Base-Base interactions energy: -719.994 where: short stacking energy: -299.586 Base-Backbone interact. energy: -1.425 local terms energy: -332.570624 where: bonds (distance) C4'-P energy: -62.340 bonds (distance) P-C4' energy: -64.038 flat angles C4'-P-C4' energy: -67.012 flat angles P-C4'-P energy: -50.344 tors. eta vs tors. theta energy: -88.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -1051.801157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.801157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.801157 (E_RNA) where: Base-Base interactions energy: -725.928 where: short stacking energy: -297.783 Base-Backbone interact. energy: -0.691 local terms energy: -325.181466 where: bonds (distance) C4'-P energy: -65.114 bonds (distance) P-C4' energy: -71.433 flat angles C4'-P-C4' energy: -67.365 flat angles P-C4'-P energy: -46.535 tors. eta vs tors. theta energy: -74.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -1009.881338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.881338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.881338 (E_RNA) where: Base-Base interactions energy: -701.749 where: short stacking energy: -285.005 Base-Backbone interact. energy: -2.929 local terms energy: -305.203110 where: bonds (distance) C4'-P energy: -63.840 bonds (distance) P-C4' energy: -64.118 flat angles C4'-P-C4' energy: -65.369 flat angles P-C4'-P energy: -38.303 tors. eta vs tors. theta energy: -73.574 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: 5, replica: 6 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -885.898872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.898872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.898872 (E_RNA) where: Base-Base interactions energy: -581.725 where: short stacking energy: -258.734 Base-Backbone interact. energy: -1.012 local terms energy: -303.162364 where: bonds (distance) C4'-P energy: -58.668 bonds (distance) P-C4' energy: -58.179 flat angles C4'-P-C4' energy: -68.140 flat angles P-C4'-P energy: -52.187 tors. eta vs tors. theta energy: -65.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -782.196114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.196114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.196114 (E_RNA) where: Base-Base interactions energy: -514.750 where: short stacking energy: -221.578 Base-Backbone interact. energy: -0.361 local terms energy: -267.085157 where: bonds (distance) C4'-P energy: -56.972 bonds (distance) P-C4' energy: -60.087 flat angles C4'-P-C4' energy: -52.955 flat angles P-C4'-P energy: -38.268 tors. eta vs tors. theta energy: -58.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -694.750641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.750641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.750641 (E_RNA) where: Base-Base interactions energy: -441.880 where: short stacking energy: -193.867 Base-Backbone interact. energy: -0.770 local terms energy: -252.100878 where: bonds (distance) C4'-P energy: -52.916 bonds (distance) P-C4' energy: -58.433 flat angles C4'-P-C4' energy: -61.697 flat angles P-C4'-P energy: -40.780 tors. eta vs tors. theta energy: -38.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -604.912777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.912777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.912777 (E_RNA) where: Base-Base interactions energy: -397.225 where: short stacking energy: -174.423 Base-Backbone interact. energy: 3.079 local terms energy: -210.766207 where: bonds (distance) C4'-P energy: -41.687 bonds (distance) P-C4' energy: -60.156 flat angles C4'-P-C4' energy: -52.405 flat angles P-C4'-P energy: -23.871 tors. eta vs tors. theta energy: -32.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -542.110604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.110604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.110604 (E_RNA) where: Base-Base interactions energy: -335.276 where: short stacking energy: -152.673 Base-Backbone interact. energy: -0.707 local terms energy: -206.128113 where: bonds (distance) C4'-P energy: -50.855 bonds (distance) P-C4' energy: -48.268 flat angles C4'-P-C4' energy: -41.502 flat angles P-C4'-P energy: -39.535 tors. eta vs tors. theta energy: -25.967 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: 4 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -264.558829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.558829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.558829 (E_RNA) where: Base-Base interactions energy: -87.242 where: short stacking energy: -57.811 Base-Backbone interact. energy: 2.430 local terms energy: -179.747313 where: bonds (distance) C4'-P energy: -51.139 bonds (distance) P-C4' energy: -52.559 flat angles C4'-P-C4' energy: -52.690 flat angles P-C4'-P energy: -41.799 tors. eta vs tors. theta energy: 18.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -1094.178114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.178114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.178114 (E_RNA) where: Base-Base interactions energy: -745.285 where: short stacking energy: -321.169 Base-Backbone interact. energy: -3.037 local terms energy: -345.856426 where: bonds (distance) C4'-P energy: -67.651 bonds (distance) P-C4' energy: -69.570 flat angles C4'-P-C4' energy: -73.883 flat angles P-C4'-P energy: -43.570 tors. eta vs tors. theta energy: -91.183 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: 8 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -1119.211881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.211881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.211881 (E_RNA) where: Base-Base interactions energy: -772.793 where: short stacking energy: -327.945 Base-Backbone interact. energy: -2.184 local terms energy: -344.235305 where: bonds (distance) C4'-P energy: -63.455 bonds (distance) P-C4' energy: -62.429 flat angles C4'-P-C4' energy: -75.454 flat angles P-C4'-P energy: -47.839 tors. eta vs tors. theta energy: -95.059 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: 3 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -1046.830669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.830669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.830669 (E_RNA) where: Base-Base interactions energy: -729.779 where: short stacking energy: -286.103 Base-Backbone interact. energy: -1.258 local terms energy: -315.794066 where: bonds (distance) C4'-P energy: -65.401 bonds (distance) P-C4' energy: -54.530 flat angles C4'-P-C4' energy: -68.995 flat angles P-C4'-P energy: -42.411 tors. eta vs tors. theta energy: -84.457 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: 2 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -1019.029524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.029524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.029524 (E_RNA) where: Base-Base interactions energy: -691.051 where: short stacking energy: -278.875 Base-Backbone interact. energy: -1.366 local terms energy: -326.613068 where: bonds (distance) C4'-P energy: -75.748 bonds (distance) P-C4' energy: -60.263 flat angles C4'-P-C4' energy: -67.841 flat angles P-C4'-P energy: -46.260 tors. eta vs tors. theta energy: -76.501 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: 5, replica: 6 ===================================== Write number: 132 Temperature: 1.100000 Total energy: -897.383488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.383488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.383488 (E_RNA) where: Base-Base interactions energy: -602.883 where: short stacking energy: -266.161 Base-Backbone interact. energy: 0.853 local terms energy: -295.352848 where: bonds (distance) C4'-P energy: -52.603 bonds (distance) P-C4' energy: -59.800 flat angles C4'-P-C4' energy: -66.843 flat angles P-C4'-P energy: -45.128 tors. eta vs tors. theta energy: -70.979 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: 10 ===================================== Write number: 132 Temperature: 1.150000 Total energy: -771.219753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.219753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.219753 (E_RNA) where: Base-Base interactions energy: -508.722 where: short stacking energy: -217.120 Base-Backbone interact. energy: -1.500 local terms energy: -260.997619 where: bonds (distance) C4'-P energy: -46.988 bonds (distance) P-C4' energy: -65.079 flat angles C4'-P-C4' energy: -61.382 flat angles P-C4'-P energy: -30.415 tors. eta vs tors. theta energy: -57.134 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: 9 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -667.909156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.909156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.909156 (E_RNA) where: Base-Base interactions energy: -421.135 where: short stacking energy: -183.338 Base-Backbone interact. energy: -4.653 local terms energy: -242.120878 where: bonds (distance) C4'-P energy: -58.742 bonds (distance) P-C4' energy: -50.997 flat angles C4'-P-C4' energy: -52.030 flat angles P-C4'-P energy: -45.470 tors. eta vs tors. theta energy: -34.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -591.182638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.182638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.182638 (E_RNA) where: Base-Base interactions energy: -346.739 where: short stacking energy: -164.487 Base-Backbone interact. energy: -0.465 local terms energy: -243.979099 where: bonds (distance) C4'-P energy: -65.748 bonds (distance) P-C4' energy: -51.951 flat angles C4'-P-C4' energy: -57.358 flat angles P-C4'-P energy: -38.128 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: 9, replica: 7 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -582.359258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.359258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.359258 (E_RNA) where: Base-Base interactions energy: -361.874 where: short stacking energy: -157.982 Base-Backbone interact. energy: -2.804 local terms energy: -217.681204 where: bonds (distance) C4'-P energy: -50.069 bonds (distance) P-C4' energy: -53.030 flat angles C4'-P-C4' energy: -54.301 flat angles P-C4'-P energy: -33.275 tors. eta vs tors. theta energy: -27.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -276.007919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.007919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.007919 (E_RNA) where: Base-Base interactions energy: -105.932 where: short stacking energy: -81.623 Base-Backbone interact. energy: -1.328 local terms energy: -168.748256 where: bonds (distance) C4'-P energy: -45.302 bonds (distance) P-C4' energy: -57.610 flat angles C4'-P-C4' energy: -46.367 flat angles P-C4'-P energy: -24.423 tors. eta vs tors. theta energy: 4.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -1109.366606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.366606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.366606 (E_RNA) where: Base-Base interactions energy: -771.028 where: short stacking energy: -329.836 Base-Backbone interact. energy: -3.800 local terms energy: -334.539286 where: bonds (distance) C4'-P energy: -56.409 bonds (distance) P-C4' energy: -60.204 flat angles C4'-P-C4' energy: -72.964 flat angles P-C4'-P energy: -48.737 tors. eta vs tors. theta energy: -96.225 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: 133 Temperature: 0.950000 Total energy: -1100.093114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.093114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.093114 (E_RNA) where: Base-Base interactions energy: -752.457 where: short stacking energy: -317.543 Base-Backbone interact. energy: -0.263 local terms energy: -347.372903 where: bonds (distance) C4'-P energy: -69.037 bonds (distance) P-C4' energy: -66.283 flat angles C4'-P-C4' energy: -73.865 flat angles P-C4'-P energy: -46.908 tors. eta vs tors. theta energy: -91.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -1036.692492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.692492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.692492 (E_RNA) where: Base-Base interactions energy: -713.964 where: short stacking energy: -283.991 Base-Backbone interact. energy: -1.520 local terms energy: -321.208026 where: bonds (distance) C4'-P energy: -60.167 bonds (distance) P-C4' energy: -59.276 flat angles C4'-P-C4' energy: -74.216 flat angles P-C4'-P energy: -50.201 tors. eta vs tors. theta energy: -77.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -981.315332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.315332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.315332 (E_RNA) where: Base-Base interactions energy: -673.737 where: short stacking energy: -261.911 Base-Backbone interact. energy: -2.772 local terms energy: -304.806780 where: bonds (distance) C4'-P energy: -57.347 bonds (distance) P-C4' energy: -64.217 flat angles C4'-P-C4' energy: -74.200 flat angles P-C4'-P energy: -46.361 tors. eta vs tors. theta energy: -62.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -904.808651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.808651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.808651 (E_RNA) where: Base-Base interactions energy: -624.820 where: short stacking energy: -267.841 Base-Backbone interact. energy: -0.464 local terms energy: -279.524892 where: bonds (distance) C4'-P energy: -52.709 bonds (distance) P-C4' energy: -55.374 flat angles C4'-P-C4' energy: -60.827 flat angles P-C4'-P energy: -43.958 tors. eta vs tors. theta energy: -66.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -800.269610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.269610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.269610 (E_RNA) where: Base-Base interactions energy: -543.551 where: short stacking energy: -224.941 Base-Backbone interact. energy: -0.762 local terms energy: -255.956135 where: bonds (distance) C4'-P energy: -60.578 bonds (distance) P-C4' energy: -58.623 flat angles C4'-P-C4' energy: -52.502 flat angles P-C4'-P energy: -29.522 tors. eta vs tors. theta energy: -54.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -741.027690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.027690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.027690 (E_RNA) where: Base-Base interactions energy: -478.584 where: short stacking energy: -216.361 Base-Backbone interact. energy: -0.465 local terms energy: -261.979452 where: bonds (distance) C4'-P energy: -61.000 bonds (distance) P-C4' energy: -59.785 flat angles C4'-P-C4' energy: -62.720 flat angles P-C4'-P energy: -40.125 tors. eta vs tors. theta energy: -38.350 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: 5 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -575.496588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.496588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.496588 (E_RNA) where: Base-Base interactions energy: -346.377 where: short stacking energy: -165.143 Base-Backbone interact. energy: -1.764 local terms energy: -227.355432 where: bonds (distance) C4'-P energy: -51.899 bonds (distance) P-C4' energy: -69.262 flat angles C4'-P-C4' energy: -44.170 flat angles P-C4'-P energy: -33.472 tors. eta vs tors. theta energy: -28.552 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: 7 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -572.066541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.066541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.066541 (E_RNA) where: Base-Base interactions energy: -367.490 where: short stacking energy: -170.447 Base-Backbone interact. energy: -1.337 local terms energy: -203.239005 where: bonds (distance) C4'-P energy: -34.312 bonds (distance) P-C4' energy: -43.609 flat angles C4'-P-C4' energy: -64.003 flat angles P-C4'-P energy: -26.176 tors. eta vs tors. theta energy: -35.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -289.826618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -289.826618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -289.826618 (E_RNA) where: Base-Base interactions energy: -104.351 where: short stacking energy: -84.422 Base-Backbone interact. energy: -1.515 local terms energy: -183.960369 where: bonds (distance) C4'-P energy: -65.838 bonds (distance) P-C4' energy: -44.907 flat angles C4'-P-C4' energy: -53.143 flat angles P-C4'-P energy: -33.231 tors. eta vs tors. theta energy: 13.159 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: 8 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -1151.101099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.101099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.101099 (E_RNA) where: Base-Base interactions energy: -784.055 where: short stacking energy: -349.239 Base-Backbone interact. energy: -1.769 local terms energy: -365.277090 where: bonds (distance) C4'-P energy: -62.646 bonds (distance) P-C4' energy: -73.029 flat angles C4'-P-C4' energy: -76.651 flat angles P-C4'-P energy: -46.748 tors. eta vs tors. theta energy: -106.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -1072.084222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.084222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.084222 (E_RNA) where: Base-Base interactions energy: -726.449 where: short stacking energy: -303.154 Base-Backbone interact. energy: -1.268 local terms energy: -344.366324 where: bonds (distance) C4'-P energy: -66.633 bonds (distance) P-C4' energy: -70.314 flat angles C4'-P-C4' energy: -67.252 flat angles P-C4'-P energy: -47.833 tors. eta vs tors. theta energy: -92.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -1060.410780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.410780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.410780 (E_RNA) where: Base-Base interactions energy: -733.265 where: short stacking energy: -299.926 Base-Backbone interact. energy: -3.308 local terms energy: -323.837712 where: bonds (distance) C4'-P energy: -55.533 bonds (distance) P-C4' energy: -76.706 flat angles C4'-P-C4' energy: -69.368 flat angles P-C4'-P energy: -38.938 tors. eta vs tors. theta energy: -83.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -978.703652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.703652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.703652 (E_RNA) where: Base-Base interactions energy: -661.845 where: short stacking energy: -278.353 Base-Backbone interact. energy: 1.087 local terms energy: -317.946040 where: bonds (distance) C4'-P energy: -59.950 bonds (distance) P-C4' energy: -54.654 flat angles C4'-P-C4' energy: -73.080 flat angles P-C4'-P energy: -48.568 tors. eta vs tors. theta energy: -81.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -883.043620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.043620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.043620 (E_RNA) where: Base-Base interactions energy: -588.685 where: short stacking energy: -266.896 Base-Backbone interact. energy: -3.340 local terms energy: -291.019098 where: bonds (distance) C4'-P energy: -57.434 bonds (distance) P-C4' energy: -61.227 flat angles C4'-P-C4' energy: -64.876 flat angles P-C4'-P energy: -37.734 tors. eta vs tors. theta energy: -69.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -779.585720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.585720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.585720 (E_RNA) where: Base-Base interactions energy: -516.011 where: short stacking energy: -240.483 Base-Backbone interact. energy: -1.726 local terms energy: -261.847952 where: bonds (distance) C4'-P energy: -49.459 bonds (distance) P-C4' energy: -58.212 flat angles C4'-P-C4' energy: -52.301 flat angles P-C4'-P energy: -45.146 tors. eta vs tors. theta energy: -56.730 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: 134 Temperature: 1.200000 Total energy: -698.634580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.634580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.634580 (E_RNA) where: Base-Base interactions energy: -444.900 where: short stacking energy: -197.888 Base-Backbone interact. energy: -1.507 local terms energy: -252.227613 where: bonds (distance) C4'-P energy: -57.705 bonds (distance) P-C4' energy: -57.532 flat angles C4'-P-C4' energy: -60.621 flat angles P-C4'-P energy: -38.108 tors. eta vs tors. theta energy: -38.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -540.956633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.956633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.956633 (E_RNA) where: Base-Base interactions energy: -351.311 where: short stacking energy: -152.551 Base-Backbone interact. energy: -1.171 local terms energy: -188.475229 where: bonds (distance) C4'-P energy: -47.096 bonds (distance) P-C4' energy: -50.452 flat angles C4'-P-C4' energy: -40.512 flat angles P-C4'-P energy: -28.762 tors. eta vs tors. theta energy: -21.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -547.849276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.849276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.849276 (E_RNA) where: Base-Base interactions energy: -335.141 where: short stacking energy: -151.097 Base-Backbone interact. energy: -2.394 local terms energy: -210.314437 where: bonds (distance) C4'-P energy: -49.140 bonds (distance) P-C4' energy: -70.778 flat angles C4'-P-C4' energy: -57.850 flat angles P-C4'-P energy: -18.526 tors. eta vs tors. theta energy: -14.020 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: 10, replica: 4 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -279.664789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.664789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.664789 (E_RNA) where: Base-Base interactions energy: -123.125 where: short stacking energy: -90.185 Base-Backbone interact. energy: 0.426 local terms energy: -156.965943 where: bonds (distance) C4'-P energy: -44.882 bonds (distance) P-C4' energy: -61.689 flat angles C4'-P-C4' energy: -45.994 flat angles P-C4'-P energy: -12.272 tors. eta vs tors. theta energy: 7.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -1141.369016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.369016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.369016 (E_RNA) where: Base-Base interactions energy: -790.583 where: short stacking energy: -319.428 Base-Backbone interact. energy: -2.050 local terms energy: -348.735944 where: bonds (distance) C4'-P energy: -68.483 bonds (distance) P-C4' energy: -65.314 flat angles C4'-P-C4' energy: -72.075 flat angles P-C4'-P energy: -49.668 tors. eta vs tors. theta energy: -93.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -1096.776877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.776877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.776877 (E_RNA) where: Base-Base interactions energy: -756.632 where: short stacking energy: -307.653 Base-Backbone interact. energy: -1.055 local terms energy: -339.090073 where: bonds (distance) C4'-P energy: -61.933 bonds (distance) P-C4' energy: -67.724 flat angles C4'-P-C4' energy: -72.287 flat angles P-C4'-P energy: -49.450 tors. eta vs tors. theta energy: -87.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -1031.269649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.269649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.269649 (E_RNA) where: Base-Base interactions energy: -717.884 where: short stacking energy: -291.825 Base-Backbone interact. energy: -2.381 local terms energy: -311.004373 where: bonds (distance) C4'-P energy: -66.355 bonds (distance) P-C4' energy: -48.789 flat angles C4'-P-C4' energy: -72.272 flat angles P-C4'-P energy: -46.066 tors. eta vs tors. theta energy: -77.523 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: 2 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -962.949913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.949913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.949913 (E_RNA) where: Base-Base interactions energy: -658.303 where: short stacking energy: -260.027 Base-Backbone interact. energy: -2.789 local terms energy: -301.858253 where: bonds (distance) C4'-P energy: -63.251 bonds (distance) P-C4' energy: -54.764 flat angles C4'-P-C4' energy: -68.086 flat angles P-C4'-P energy: -36.727 tors. eta vs tors. theta energy: -79.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -900.632130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.632130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.632130 (E_RNA) where: Base-Base interactions energy: -586.149 where: short stacking energy: -249.206 Base-Backbone interact. energy: 3.006 local terms energy: -317.489271 where: bonds (distance) C4'-P energy: -57.290 bonds (distance) P-C4' energy: -61.929 flat angles C4'-P-C4' energy: -79.525 flat angles P-C4'-P energy: -45.739 tors. eta vs tors. theta energy: -73.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -717.929707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.929707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.929707 (E_RNA) where: Base-Base interactions energy: -450.518 where: short stacking energy: -219.089 Base-Backbone interact. energy: 0.556 local terms energy: -267.967780 where: bonds (distance) C4'-P energy: -60.598 bonds (distance) P-C4' energy: -64.638 flat angles C4'-P-C4' energy: -53.530 flat angles P-C4'-P energy: -34.771 tors. eta vs tors. theta energy: -54.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -723.070329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.070329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.070329 (E_RNA) where: Base-Base interactions energy: -480.028 where: short stacking energy: -190.181 Base-Backbone interact. energy: 4.181 local terms energy: -247.223409 where: bonds (distance) C4'-P energy: -58.308 bonds (distance) P-C4' energy: -60.968 flat angles C4'-P-C4' energy: -62.906 flat angles P-C4'-P energy: -26.082 tors. eta vs tors. theta energy: -38.959 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: 5 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -606.760217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.760217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.760217 (E_RNA) where: Base-Base interactions energy: -378.236 where: short stacking energy: -174.289 Base-Backbone interact. energy: -2.237 local terms energy: -226.286800 where: bonds (distance) C4'-P energy: -58.409 bonds (distance) P-C4' energy: -56.941 flat angles C4'-P-C4' energy: -49.909 flat angles P-C4'-P energy: -31.458 tors. eta vs tors. theta energy: -29.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -554.363497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.363497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.363497 (E_RNA) where: Base-Base interactions energy: -321.980 where: short stacking energy: -164.555 Base-Backbone interact. energy: -0.845 local terms energy: -231.538274 where: bonds (distance) C4'-P energy: -48.065 bonds (distance) P-C4' energy: -50.848 flat angles C4'-P-C4' energy: -60.390 flat angles P-C4'-P energy: -40.408 tors. eta vs tors. theta energy: -31.827 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: 135 Temperature: 1.350000 Total energy: -320.176053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -320.176053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -320.176053 (E_RNA) where: Base-Base interactions energy: -124.103 where: short stacking energy: -107.289 Base-Backbone interact. energy: 0.166 local terms energy: -196.239387 where: bonds (distance) C4'-P energy: -55.509 bonds (distance) P-C4' energy: -59.212 flat angles C4'-P-C4' energy: -51.922 flat angles P-C4'-P energy: -27.798 tors. eta vs tors. theta energy: -1.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -1143.602224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.602224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.602224 (E_RNA) where: Base-Base interactions energy: -801.509 where: short stacking energy: -328.939 Base-Backbone interact. energy: 1.104 local terms energy: -343.197272 where: bonds (distance) C4'-P energy: -61.725 bonds (distance) P-C4' energy: -62.399 flat angles C4'-P-C4' energy: -78.079 flat angles P-C4'-P energy: -45.258 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: 2, replica: 1 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -1092.536849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.536849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.536849 (E_RNA) where: Base-Base interactions energy: -749.042 where: short stacking energy: -330.969 Base-Backbone interact. energy: 1.858 local terms energy: -345.353303 where: bonds (distance) C4'-P energy: -57.649 bonds (distance) P-C4' energy: -67.179 flat angles C4'-P-C4' energy: -75.351 flat angles P-C4'-P energy: -47.858 tors. eta vs tors. theta energy: -97.316 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: 3 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -1032.302842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.302842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.302842 (E_RNA) where: Base-Base interactions energy: -719.283 where: short stacking energy: -293.917 Base-Backbone interact. energy: -1.104 local terms energy: -311.915431 where: bonds (distance) C4'-P energy: -57.485 bonds (distance) P-C4' energy: -50.626 flat angles C4'-P-C4' energy: -76.128 flat angles P-C4'-P energy: -48.178 tors. eta vs tors. theta energy: -79.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -935.216891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.216891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.216891 (E_RNA) where: Base-Base interactions energy: -632.855 where: short stacking energy: -252.365 Base-Backbone interact. energy: 0.681 local terms energy: -303.042892 where: bonds (distance) C4'-P energy: -66.721 bonds (distance) P-C4' energy: -58.347 flat angles C4'-P-C4' energy: -63.609 flat angles P-C4'-P energy: -44.534 tors. eta vs tors. theta energy: -69.833 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: 6 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -884.361513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.361513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.361513 (E_RNA) where: Base-Base interactions energy: -570.334 where: short stacking energy: -255.099 Base-Backbone interact. energy: -0.755 local terms energy: -313.272261 where: bonds (distance) C4'-P energy: -64.807 bonds (distance) P-C4' energy: -65.465 flat angles C4'-P-C4' energy: -71.204 flat angles P-C4'-P energy: -39.829 tors. eta vs tors. theta energy: -71.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -729.114736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.114736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.114736 (E_RNA) where: Base-Base interactions energy: -468.935 where: short stacking energy: -210.472 Base-Backbone interact. energy: -0.202 local terms energy: -259.978100 where: bonds (distance) C4'-P energy: -52.968 bonds (distance) P-C4' energy: -66.132 flat angles C4'-P-C4' energy: -62.648 flat angles P-C4'-P energy: -43.060 tors. eta vs tors. theta energy: -35.170 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: 10 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -685.515197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.515197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.515197 (E_RNA) where: Base-Base interactions energy: -454.226 where: short stacking energy: -200.418 Base-Backbone interact. energy: -1.582 local terms energy: -229.707076 where: bonds (distance) C4'-P energy: -50.422 bonds (distance) P-C4' energy: -54.187 flat angles C4'-P-C4' energy: -55.283 flat angles P-C4'-P energy: -30.771 tors. eta vs tors. theta energy: -39.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -577.404770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.404770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.404770 (E_RNA) where: Base-Base interactions energy: -359.404 where: short stacking energy: -172.425 Base-Backbone interact. energy: 0.371 local terms energy: -218.372030 where: bonds (distance) C4'-P energy: -47.006 bonds (distance) P-C4' energy: -59.696 flat angles C4'-P-C4' energy: -49.731 flat angles P-C4'-P energy: -41.264 tors. eta vs tors. theta energy: -20.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -545.002822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.002822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.002822 (E_RNA) where: Base-Base interactions energy: -323.172 where: short stacking energy: -128.723 Base-Backbone interact. energy: -1.457 local terms energy: -220.373687 where: bonds (distance) C4'-P energy: -56.861 bonds (distance) P-C4' energy: -54.146 flat angles C4'-P-C4' energy: -46.235 flat angles P-C4'-P energy: -38.765 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: 10, replica: 4 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -271.017297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.017297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.017297 (E_RNA) where: Base-Base interactions energy: -103.531 where: short stacking energy: -78.016 Base-Backbone interact. energy: -1.154 local terms energy: -166.331824 where: bonds (distance) C4'-P energy: -62.912 bonds (distance) P-C4' energy: -52.773 flat angles C4'-P-C4' energy: -41.915 flat angles P-C4'-P energy: -14.883 tors. eta vs tors. theta energy: 6.151 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: 8 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -1177.196529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.196529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.196529 (E_RNA) where: Base-Base interactions energy: -810.516 where: short stacking energy: -348.155 Base-Backbone interact. energy: -4.165 local terms energy: -362.514892 where: bonds (distance) C4'-P energy: -58.888 bonds (distance) P-C4' energy: -69.819 flat angles C4'-P-C4' energy: -76.835 flat angles P-C4'-P energy: -49.231 tors. eta vs tors. theta energy: -107.742 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: 2, replica: 1 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -1078.077466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.077466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.077466 (E_RNA) where: Base-Base interactions energy: -747.201 where: short stacking energy: -295.773 Base-Backbone interact. energy: -2.715 local terms energy: -328.161191 where: bonds (distance) C4'-P energy: -54.424 bonds (distance) P-C4' energy: -66.669 flat angles C4'-P-C4' energy: -63.748 flat angles P-C4'-P energy: -54.220 tors. eta vs tors. theta energy: -89.098 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: 137 Temperature: 1.000000 Total energy: -1021.624595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.624595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.624595 (E_RNA) where: Base-Base interactions energy: -708.840 where: short stacking energy: -288.064 Base-Backbone interact. energy: -1.576 local terms energy: -311.208420 where: bonds (distance) C4'-P energy: -71.242 bonds (distance) P-C4' energy: -65.442 flat angles C4'-P-C4' energy: -64.688 flat angles P-C4'-P energy: -37.222 tors. eta vs tors. theta energy: -72.615 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: 4, replica: 2 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -950.085745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.085745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.085745 (E_RNA) where: Base-Base interactions energy: -646.883 where: short stacking energy: -262.834 Base-Backbone interact. energy: -2.995 local terms energy: -300.207184 where: bonds (distance) C4'-P energy: -68.181 bonds (distance) P-C4' energy: -54.692 flat angles C4'-P-C4' energy: -66.300 flat angles P-C4'-P energy: -46.934 tors. eta vs tors. theta energy: -64.100 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: 6 ===================================== Write number: 137 Temperature: 1.100000 Total energy: -857.231446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.231446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.231446 (E_RNA) where: Base-Base interactions energy: -566.152 where: short stacking energy: -248.503 Base-Backbone interact. energy: -1.939 local terms energy: -289.140944 where: bonds (distance) C4'-P energy: -50.752 bonds (distance) P-C4' energy: -63.684 flat angles C4'-P-C4' energy: -63.090 flat angles P-C4'-P energy: -45.187 tors. eta vs tors. theta energy: -66.428 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: 9 ===================================== Write number: 137 Temperature: 1.150000 Total energy: -735.872438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.872438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.872438 (E_RNA) where: Base-Base interactions energy: -460.089 where: short stacking energy: -226.277 Base-Backbone interact. energy: -0.885 local terms energy: -274.898789 where: bonds (distance) C4'-P energy: -60.668 bonds (distance) P-C4' energy: -58.770 flat angles C4'-P-C4' energy: -64.486 flat angles P-C4'-P energy: -42.468 tors. eta vs tors. theta energy: -48.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -687.507223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.507223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.507223 (E_RNA) where: Base-Base interactions energy: -436.676 where: short stacking energy: -174.210 Base-Backbone interact. energy: -2.166 local terms energy: -248.665643 where: bonds (distance) C4'-P energy: -60.958 bonds (distance) P-C4' energy: -56.503 flat angles C4'-P-C4' energy: -57.483 flat angles P-C4'-P energy: -48.628 tors. eta vs tors. theta energy: -25.093 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: 5 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -593.396155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.396155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.396155 (E_RNA) where: Base-Base interactions energy: -351.315 where: short stacking energy: -161.438 Base-Backbone interact. energy: -0.787 local terms energy: -241.294405 where: bonds (distance) C4'-P energy: -63.531 bonds (distance) P-C4' energy: -55.029 flat angles C4'-P-C4' energy: -62.043 flat angles P-C4'-P energy: -28.159 tors. eta vs tors. theta energy: -32.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 137 Temperature: 1.300000 Total energy: -567.209314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.209314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.209314 (E_RNA) where: Base-Base interactions energy: -351.401 where: short stacking energy: -174.987 Base-Backbone interact. energy: -1.136 local terms energy: -214.671920 where: bonds (distance) C4'-P energy: -52.520 bonds (distance) P-C4' energy: -50.874 flat angles C4'-P-C4' energy: -52.678 flat angles P-C4'-P energy: -37.420 tors. eta vs tors. theta energy: -21.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -288.925889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.925889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.925889 (E_RNA) where: Base-Base interactions energy: -83.852 where: short stacking energy: -77.016 Base-Backbone interact. energy: 3.029 local terms energy: -208.102682 where: bonds (distance) C4'-P energy: -58.203 bonds (distance) P-C4' energy: -56.245 flat angles C4'-P-C4' energy: -60.603 flat angles P-C4'-P energy: -38.810 tors. eta vs tors. theta energy: 5.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -1175.665455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.665455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.665455 (E_RNA) where: Base-Base interactions energy: -817.547 where: short stacking energy: -339.807 Base-Backbone interact. energy: -3.830 local terms energy: -354.288964 where: bonds (distance) C4'-P energy: -68.939 bonds (distance) P-C4' energy: -62.902 flat angles C4'-P-C4' energy: -76.516 flat angles P-C4'-P energy: -43.747 tors. eta vs tors. theta energy: -102.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -1082.072027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.072027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.072027 (E_RNA) where: Base-Base interactions energy: -731.048 where: short stacking energy: -304.463 Base-Backbone interact. energy: 1.164 local terms energy: -352.187425 where: bonds (distance) C4'-P energy: -70.428 bonds (distance) P-C4' energy: -54.642 flat angles C4'-P-C4' energy: -79.206 flat angles P-C4'-P energy: -54.408 tors. eta vs tors. theta energy: -93.504 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: 3 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -1013.355059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.355059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.355059 (E_RNA) where: Base-Base interactions energy: -693.046 where: short stacking energy: -265.578 Base-Backbone interact. energy: 0.106 local terms energy: -320.414920 where: bonds (distance) C4'-P energy: -63.666 bonds (distance) P-C4' energy: -60.925 flat angles C4'-P-C4' energy: -76.923 flat angles P-C4'-P energy: -41.883 tors. eta vs tors. theta energy: -77.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -964.878821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.878821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.878821 (E_RNA) where: Base-Base interactions energy: -682.491 where: short stacking energy: -257.422 Base-Backbone interact. energy: -3.309 local terms energy: -279.079296 where: bonds (distance) C4'-P energy: -66.500 bonds (distance) P-C4' energy: -58.110 flat angles C4'-P-C4' energy: -52.013 flat angles P-C4'-P energy: -35.113 tors. eta vs tors. theta energy: -67.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -863.336744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.336744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.336744 (E_RNA) where: Base-Base interactions energy: -553.435 where: short stacking energy: -261.796 Base-Backbone interact. energy: -1.120 local terms energy: -308.781233 where: bonds (distance) C4'-P energy: -67.094 bonds (distance) P-C4' energy: -67.190 flat angles C4'-P-C4' energy: -67.017 flat angles P-C4'-P energy: -32.880 tors. eta vs tors. theta energy: -74.599 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: 138 Temperature: 1.150000 Total energy: -718.050241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.050241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.050241 (E_RNA) where: Base-Base interactions energy: -452.452 where: short stacking energy: -184.926 Base-Backbone interact. energy: -0.227 local terms energy: -265.370972 where: bonds (distance) C4'-P energy: -64.835 bonds (distance) P-C4' energy: -59.765 flat angles C4'-P-C4' energy: -69.446 flat angles P-C4'-P energy: -37.286 tors. eta vs tors. theta energy: -34.040 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: 10 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -671.082765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.082765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.082765 (E_RNA) where: Base-Base interactions energy: -448.944 where: short stacking energy: -210.244 Base-Backbone interact. energy: -2.564 local terms energy: -219.574548 where: bonds (distance) C4'-P energy: -47.599 bonds (distance) P-C4' energy: -49.161 flat angles C4'-P-C4' energy: -53.424 flat angles P-C4'-P energy: -40.731 tors. eta vs tors. theta energy: -28.659 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: 138 Temperature: 1.250000 Total energy: -581.936991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.936991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.936991 (E_RNA) where: Base-Base interactions energy: -349.698 where: short stacking energy: -177.351 Base-Backbone interact. energy: 1.092 local terms energy: -233.330553 where: bonds (distance) C4'-P energy: -43.119 bonds (distance) P-C4' energy: -62.435 flat angles C4'-P-C4' energy: -61.770 flat angles P-C4'-P energy: -25.152 tors. eta vs tors. theta energy: -40.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -582.902573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.902573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.902573 (E_RNA) where: Base-Base interactions energy: -344.017 where: short stacking energy: -168.075 Base-Backbone interact. energy: -0.880 local terms energy: -238.005525 where: bonds (distance) C4'-P energy: -54.849 bonds (distance) P-C4' energy: -58.012 flat angles C4'-P-C4' energy: -61.302 flat angles P-C4'-P energy: -34.459 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: 10, replica: 4 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -299.553870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -299.553870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -299.553870 (E_RNA) where: Base-Base interactions energy: -129.713 where: short stacking energy: -89.454 Base-Backbone interact. energy: 0.436 local terms energy: -170.276696 where: bonds (distance) C4'-P energy: -48.692 bonds (distance) P-C4' energy: -58.162 flat angles C4'-P-C4' energy: -45.970 flat angles P-C4'-P energy: -27.140 tors. eta vs tors. theta energy: 9.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -1180.650193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.650193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.650193 (E_RNA) where: Base-Base interactions energy: -813.703 where: short stacking energy: -331.332 Base-Backbone interact. energy: -3.102 local terms energy: -363.845370 where: bonds (distance) C4'-P energy: -68.633 bonds (distance) P-C4' energy: -68.585 flat angles C4'-P-C4' energy: -76.912 flat angles P-C4'-P energy: -54.553 tors. eta vs tors. theta energy: -95.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -1015.401786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.401786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.401786 (E_RNA) where: Base-Base interactions energy: -682.470 where: short stacking energy: -300.541 Base-Backbone interact. energy: -4.540 local terms energy: -328.391357 where: bonds (distance) C4'-P energy: -60.303 bonds (distance) P-C4' energy: -66.232 flat angles C4'-P-C4' energy: -76.294 flat angles P-C4'-P energy: -42.583 tors. eta vs tors. theta energy: -82.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -1055.967672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.967672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.967672 (E_RNA) where: Base-Base interactions energy: -711.241 where: short stacking energy: -296.539 Base-Backbone interact. energy: -1.662 local terms energy: -343.064674 where: bonds (distance) C4'-P energy: -65.658 bonds (distance) P-C4' energy: -66.092 flat angles C4'-P-C4' energy: -71.730 flat angles P-C4'-P energy: -48.512 tors. eta vs tors. theta energy: -91.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -949.960247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.960247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.960247 (E_RNA) where: Base-Base interactions energy: -641.300 where: short stacking energy: -264.568 Base-Backbone interact. energy: -1.352 local terms energy: -307.308097 where: bonds (distance) C4'-P energy: -60.412 bonds (distance) P-C4' energy: -58.570 flat angles C4'-P-C4' energy: -72.389 flat angles P-C4'-P energy: -45.490 tors. eta vs tors. theta energy: -70.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -843.258328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.258328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.258328 (E_RNA) where: Base-Base interactions energy: -564.612 where: short stacking energy: -252.413 Base-Backbone interact. energy: -2.414 local terms energy: -276.232712 where: bonds (distance) C4'-P energy: -59.402 bonds (distance) P-C4' energy: -59.703 flat angles C4'-P-C4' energy: -56.949 flat angles P-C4'-P energy: -38.023 tors. eta vs tors. theta energy: -62.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -726.880028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.880028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.880028 (E_RNA) where: Base-Base interactions energy: -460.312 where: short stacking energy: -208.937 Base-Backbone interact. energy: -0.401 local terms energy: -266.166708 where: bonds (distance) C4'-P energy: -61.767 bonds (distance) P-C4' energy: -66.540 flat angles C4'-P-C4' energy: -62.573 flat angles P-C4'-P energy: -36.503 tors. eta vs tors. theta energy: -38.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -693.195767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.195767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.195767 (E_RNA) where: Base-Base interactions energy: -447.109 where: short stacking energy: -196.809 Base-Backbone interact. energy: -1.351 local terms energy: -244.736200 where: bonds (distance) C4'-P energy: -44.454 bonds (distance) P-C4' energy: -62.112 flat angles C4'-P-C4' energy: -60.435 flat angles P-C4'-P energy: -37.484 tors. eta vs tors. theta energy: -40.251 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: 7 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -614.637622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.637622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.637622 (E_RNA) where: Base-Base interactions energy: -402.646 where: short stacking energy: -171.416 Base-Backbone interact. energy: 0.435 local terms energy: -212.426470 where: bonds (distance) C4'-P energy: -47.475 bonds (distance) P-C4' energy: -55.625 flat angles C4'-P-C4' energy: -52.299 flat angles P-C4'-P energy: -26.744 tors. eta vs tors. theta energy: -30.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -517.408250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.408250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.408250 (E_RNA) where: Base-Base interactions energy: -310.678 where: short stacking energy: -151.490 Base-Backbone interact. energy: 1.232 local terms energy: -207.962610 where: bonds (distance) C4'-P energy: -48.857 bonds (distance) P-C4' energy: -43.575 flat angles C4'-P-C4' energy: -50.383 flat angles P-C4'-P energy: -29.811 tors. eta vs tors. theta energy: -35.338 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: 4 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -277.851800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.851800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.851800 (E_RNA) where: Base-Base interactions energy: -102.323 where: short stacking energy: -88.644 Base-Backbone interact. energy: -0.387 local terms energy: -175.142354 where: bonds (distance) C4'-P energy: -44.919 bonds (distance) P-C4' energy: -57.441 flat angles C4'-P-C4' energy: -32.977 flat angles P-C4'-P energy: -27.398 tors. eta vs tors. theta energy: -12.407 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: 8 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -1179.086900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.086900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.086900 (E_RNA) where: Base-Base interactions energy: -822.077 where: short stacking energy: -336.642 Base-Backbone interact. energy: -1.992 local terms energy: -355.017352 where: bonds (distance) C4'-P energy: -60.459 bonds (distance) P-C4' energy: -67.388 flat angles C4'-P-C4' energy: -79.549 flat angles P-C4'-P energy: -53.435 tors. eta vs tors. theta energy: -94.186 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: 3 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -1056.445751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.445751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.445751 (E_RNA) where: Base-Base interactions energy: -699.161 where: short stacking energy: -290.933 Base-Backbone interact. energy: -1.213 local terms energy: -356.072125 where: bonds (distance) C4'-P energy: -68.881 bonds (distance) P-C4' energy: -75.881 flat angles C4'-P-C4' energy: -65.992 flat angles P-C4'-P energy: -61.163 tors. eta vs tors. theta energy: -84.156 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: 3, replica: 1 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -1052.333397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.333397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.333397 (E_RNA) where: Base-Base interactions energy: -725.949 where: short stacking energy: -317.876 Base-Backbone interact. energy: -2.527 local terms energy: -323.857326 where: bonds (distance) C4'-P energy: -60.325 bonds (distance) P-C4' energy: -58.201 flat angles C4'-P-C4' energy: -70.665 flat angles P-C4'-P energy: -46.231 tors. eta vs tors. theta energy: -88.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -955.439931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.439931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.439931 (E_RNA) where: Base-Base interactions energy: -647.492 where: short stacking energy: -264.806 Base-Backbone interact. energy: 0.404 local terms energy: -308.351619 where: bonds (distance) C4'-P energy: -61.127 bonds (distance) P-C4' energy: -61.567 flat angles C4'-P-C4' energy: -67.334 flat angles P-C4'-P energy: -50.791 tors. eta vs tors. theta energy: -67.532 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: 6 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -860.217091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.217091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.217091 (E_RNA) where: Base-Base interactions energy: -552.825 where: short stacking energy: -260.215 Base-Backbone interact. energy: -1.306 local terms energy: -306.086360 where: bonds (distance) C4'-P energy: -61.147 bonds (distance) P-C4' energy: -65.100 flat angles C4'-P-C4' energy: -69.016 flat angles P-C4'-P energy: -36.812 tors. eta vs tors. theta energy: -74.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -735.807072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.807072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.807072 (E_RNA) where: Base-Base interactions energy: -476.958 where: short stacking energy: -192.123 Base-Backbone interact. energy: -1.374 local terms energy: -257.475201 where: bonds (distance) C4'-P energy: -55.406 bonds (distance) P-C4' energy: -59.709 flat angles C4'-P-C4' energy: -52.631 flat angles P-C4'-P energy: -43.043 tors. eta vs tors. theta energy: -46.687 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: 10 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -672.642403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.642403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.642403 (E_RNA) where: Base-Base interactions energy: -421.738 where: short stacking energy: -173.110 Base-Backbone interact. energy: 3.573 local terms energy: -254.477146 where: bonds (distance) C4'-P energy: -56.028 bonds (distance) P-C4' energy: -70.422 flat angles C4'-P-C4' energy: -63.491 flat angles P-C4'-P energy: -32.146 tors. eta vs tors. theta energy: -32.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -600.628639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.628639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.628639 (E_RNA) where: Base-Base interactions energy: -373.665 where: short stacking energy: -157.634 Base-Backbone interact. energy: -2.317 local terms energy: -224.647593 where: bonds (distance) C4'-P energy: -49.117 bonds (distance) P-C4' energy: -62.773 flat angles C4'-P-C4' energy: -59.335 flat angles P-C4'-P energy: -27.503 tors. eta vs tors. theta energy: -25.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -532.830315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.830315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.830315 (E_RNA) where: Base-Base interactions energy: -319.866 where: short stacking energy: -129.352 Base-Backbone interact. energy: -3.023 local terms energy: -209.941539 where: bonds (distance) C4'-P energy: -57.614 bonds (distance) P-C4' energy: -50.081 flat angles C4'-P-C4' energy: -48.395 flat angles P-C4'-P energy: -35.636 tors. eta vs tors. theta energy: -18.216 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: 4 ===================================== Write number: 140 Temperature: 1.350000 Total energy: -257.112496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -257.112496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -257.112496 (E_RNA) where: Base-Base interactions energy: -88.128 where: short stacking energy: -60.116 Base-Backbone interact. energy: -1.255 local terms energy: -167.729197 where: bonds (distance) C4'-P energy: -51.421 bonds (distance) P-C4' energy: -65.582 flat angles C4'-P-C4' energy: -30.916 flat angles P-C4'-P energy: -29.588 tors. eta vs tors. theta energy: 9.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -1168.349518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.349518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.349518 (E_RNA) where: Base-Base interactions energy: -801.077 where: short stacking energy: -327.779 Base-Backbone interact. energy: -0.520 local terms energy: -366.753245 where: bonds (distance) C4'-P energy: -70.954 bonds (distance) P-C4' energy: -73.294 flat angles C4'-P-C4' energy: -76.551 flat angles P-C4'-P energy: -49.116 tors. eta vs tors. theta energy: -96.839 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: 2, replica: 1 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -1050.999592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.999592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.999592 (E_RNA) where: Base-Base interactions energy: -734.958 where: short stacking energy: -310.589 Base-Backbone interact. energy: 0.943 local terms energy: -316.984179 where: bonds (distance) C4'-P energy: -60.768 bonds (distance) P-C4' energy: -63.728 flat angles C4'-P-C4' energy: -70.014 flat angles P-C4'-P energy: -41.454 tors. eta vs tors. theta energy: -81.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -1028.828401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.828401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.828401 (E_RNA) where: Base-Base interactions energy: -721.108 where: short stacking energy: -287.161 Base-Backbone interact. energy: 1.890 local terms energy: -309.610437 where: bonds (distance) C4'-P energy: -55.386 bonds (distance) P-C4' energy: -59.637 flat angles C4'-P-C4' energy: -72.020 flat angles P-C4'-P energy: -44.639 tors. eta vs tors. theta energy: -77.929 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: 2 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -915.660669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.660669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.660669 (E_RNA) where: Base-Base interactions energy: -644.810 where: short stacking energy: -267.407 Base-Backbone interact. energy: -0.513 local terms energy: -270.337550 where: bonds (distance) C4'-P energy: -45.389 bonds (distance) P-C4' energy: -57.196 flat angles C4'-P-C4' energy: -72.748 flat angles P-C4'-P energy: -37.488 tors. eta vs tors. theta energy: -57.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -864.215450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.215450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.215450 (E_RNA) where: Base-Base interactions energy: -560.296 where: short stacking energy: -246.048 Base-Backbone interact. energy: -1.591 local terms energy: -302.328421 where: bonds (distance) C4'-P energy: -61.965 bonds (distance) P-C4' energy: -63.927 flat angles C4'-P-C4' energy: -70.349 flat angles P-C4'-P energy: -43.975 tors. eta vs tors. theta energy: -62.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -748.483747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.483747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.483747 (E_RNA) where: Base-Base interactions energy: -488.782 where: short stacking energy: -215.747 Base-Backbone interact. energy: -1.731 local terms energy: -257.970516 where: bonds (distance) C4'-P energy: -41.970 bonds (distance) P-C4' energy: -72.301 flat angles C4'-P-C4' energy: -61.032 flat angles P-C4'-P energy: -34.890 tors. eta vs tors. theta energy: -47.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -716.175872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.175872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.175872 (E_RNA) where: Base-Base interactions energy: -469.422 where: short stacking energy: -190.060 Base-Backbone interact. energy: -2.173 local terms energy: -244.581126 where: bonds (distance) C4'-P energy: -57.241 bonds (distance) P-C4' energy: -48.017 flat angles C4'-P-C4' energy: -52.531 flat angles P-C4'-P energy: -35.670 tors. eta vs tors. theta energy: -51.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -616.948547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.948547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.948547 (E_RNA) where: Base-Base interactions energy: -382.488 where: short stacking energy: -157.473 Base-Backbone interact. energy: -0.075 local terms energy: -234.385173 where: bonds (distance) C4'-P energy: -49.366 bonds (distance) P-C4' energy: -69.593 flat angles C4'-P-C4' energy: -57.709 flat angles P-C4'-P energy: -37.534 tors. eta vs tors. theta energy: -20.183 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: 9, replica: 7 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -575.886572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.886572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.886572 (E_RNA) where: Base-Base interactions energy: -357.706 where: short stacking energy: -173.548 Base-Backbone interact. energy: 0.656 local terms energy: -218.836902 where: bonds (distance) C4'-P energy: -57.579 bonds (distance) P-C4' energy: -65.576 flat angles C4'-P-C4' energy: -55.092 flat angles P-C4'-P energy: -20.170 tors. eta vs tors. theta energy: -20.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -291.019031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -291.019031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -291.019031 (E_RNA) where: Base-Base interactions energy: -83.411 where: short stacking energy: -72.822 Base-Backbone interact. energy: -1.077 local terms energy: -206.531024 where: bonds (distance) C4'-P energy: -72.828 bonds (distance) P-C4' energy: -62.697 flat angles C4'-P-C4' energy: -44.985 flat angles P-C4'-P energy: -25.260 tors. eta vs tors. theta energy: -0.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -1129.341311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.341311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.341311 (E_RNA) where: Base-Base interactions energy: -759.441 where: short stacking energy: -318.717 Base-Backbone interact. energy: -0.808 local terms energy: -369.091803 where: bonds (distance) C4'-P energy: -69.430 bonds (distance) P-C4' energy: -70.260 flat angles C4'-P-C4' energy: -75.009 flat angles P-C4'-P energy: -56.086 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: 2, replica: 1 ===================================== Write number: 142 Temperature: 0.950000 Total energy: -1088.571640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.571640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.571640 (E_RNA) where: Base-Base interactions energy: -729.542 where: short stacking energy: -313.921 Base-Backbone interact. energy: -0.682 local terms energy: -358.348129 where: bonds (distance) C4'-P energy: -77.084 bonds (distance) P-C4' energy: -74.786 flat angles C4'-P-C4' energy: -69.947 flat angles P-C4'-P energy: -48.814 tors. eta vs tors. theta energy: -87.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -1006.549708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.549708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.549708 (E_RNA) where: Base-Base interactions energy: -685.044 where: short stacking energy: -262.386 Base-Backbone interact. energy: -3.955 local terms energy: -317.550776 where: bonds (distance) C4'-P energy: -62.500 bonds (distance) P-C4' energy: -61.176 flat angles C4'-P-C4' energy: -72.139 flat angles P-C4'-P energy: -43.188 tors. eta vs tors. theta energy: -78.547 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: 2 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -952.416023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.416023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.416023 (E_RNA) where: Base-Base interactions energy: -646.157 where: short stacking energy: -240.184 Base-Backbone interact. energy: -5.110 local terms energy: -301.149525 where: bonds (distance) C4'-P energy: -58.471 bonds (distance) P-C4' energy: -67.990 flat angles C4'-P-C4' energy: -59.051 flat angles P-C4'-P energy: -48.442 tors. eta vs tors. theta energy: -67.196 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: 9 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -778.688735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.688735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.688735 (E_RNA) where: Base-Base interactions energy: -526.628 where: short stacking energy: -222.409 Base-Backbone interact. energy: -1.260 local terms energy: -250.800504 where: bonds (distance) C4'-P energy: -55.872 bonds (distance) P-C4' energy: -63.857 flat angles C4'-P-C4' energy: -56.796 flat angles P-C4'-P energy: -30.533 tors. eta vs tors. theta energy: -43.743 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: 6 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -838.365149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.365149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.365149 (E_RNA) where: Base-Base interactions energy: -538.239 where: short stacking energy: -245.721 Base-Backbone interact. energy: -1.703 local terms energy: -298.422740 where: bonds (distance) C4'-P energy: -55.944 bonds (distance) P-C4' energy: -65.619 flat angles C4'-P-C4' energy: -73.886 flat angles P-C4'-P energy: -36.870 tors. eta vs tors. theta energy: -66.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -730.949690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.949690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.949690 (E_RNA) where: Base-Base interactions energy: -465.729 where: short stacking energy: -206.402 Base-Backbone interact. energy: -3.982 local terms energy: -261.238106 where: bonds (distance) C4'-P energy: -58.207 bonds (distance) P-C4' energy: -50.002 flat angles C4'-P-C4' energy: -68.386 flat angles P-C4'-P energy: -43.619 tors. eta vs tors. theta energy: -41.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -656.799558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.799558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.799558 (E_RNA) where: Base-Base interactions energy: -413.487 where: short stacking energy: -166.899 Base-Backbone interact. energy: 0.296 local terms energy: -243.608961 where: bonds (distance) C4'-P energy: -54.996 bonds (distance) P-C4' energy: -62.933 flat angles C4'-P-C4' energy: -60.796 flat angles P-C4'-P energy: -34.823 tors. eta vs tors. theta energy: -30.060 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: 7 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -594.737036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.737036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.737036 (E_RNA) where: Base-Base interactions energy: -361.289 where: short stacking energy: -169.149 Base-Backbone interact. energy: -2.409 local terms energy: -231.039115 where: bonds (distance) C4'-P energy: -57.905 bonds (distance) P-C4' energy: -57.686 flat angles C4'-P-C4' energy: -61.237 flat angles P-C4'-P energy: -25.483 tors. eta vs tors. theta energy: -28.728 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: 4 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -271.807974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.807974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.807974 (E_RNA) where: Base-Base interactions energy: -91.247 where: short stacking energy: -83.242 Base-Backbone interact. energy: -0.214 local terms energy: -180.346677 where: bonds (distance) C4'-P energy: -47.911 bonds (distance) P-C4' energy: -55.219 flat angles C4'-P-C4' energy: -50.104 flat angles P-C4'-P energy: -33.783 tors. eta vs tors. theta energy: 6.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -1141.005191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.005191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.005191 (E_RNA) where: Base-Base interactions energy: -802.831 where: short stacking energy: -334.599 Base-Backbone interact. energy: -1.952 local terms energy: -336.223064 where: bonds (distance) C4'-P energy: -61.273 bonds (distance) P-C4' energy: -68.487 flat angles C4'-P-C4' energy: -73.477 flat angles P-C4'-P energy: -44.147 tors. eta vs tors. theta energy: -88.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -1083.466773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.466773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.466773 (E_RNA) where: Base-Base interactions energy: -736.842 where: short stacking energy: -298.356 Base-Backbone interact. energy: -1.010 local terms energy: -345.615523 where: bonds (distance) C4'-P energy: -59.684 bonds (distance) P-C4' energy: -65.956 flat angles C4'-P-C4' energy: -74.939 flat angles P-C4'-P energy: -54.940 tors. eta vs tors. theta energy: -90.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -997.694777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.694777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.694777 (E_RNA) where: Base-Base interactions energy: -702.281 where: short stacking energy: -276.647 Base-Backbone interact. energy: -2.617 local terms energy: -292.796126 where: bonds (distance) C4'-P energy: -65.855 bonds (distance) P-C4' energy: -55.686 flat angles C4'-P-C4' energy: -67.418 flat angles P-C4'-P energy: -38.194 tors. eta vs tors. theta energy: -65.643 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: 2 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -945.012982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.012982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.012982 (E_RNA) where: Base-Base interactions energy: -629.423 where: short stacking energy: -248.395 Base-Backbone interact. energy: -4.397 local terms energy: -311.192850 where: bonds (distance) C4'-P energy: -57.331 bonds (distance) P-C4' energy: -62.089 flat angles C4'-P-C4' energy: -72.992 flat angles P-C4'-P energy: -52.244 tors. eta vs tors. theta energy: -66.536 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: 9 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -791.727548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.727548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.727548 (E_RNA) where: Base-Base interactions energy: -526.395 where: short stacking energy: -228.809 Base-Backbone interact. energy: 1.016 local terms energy: -266.349007 where: bonds (distance) C4'-P energy: -50.420 bonds (distance) P-C4' energy: -57.657 flat angles C4'-P-C4' energy: -65.928 flat angles P-C4'-P energy: -43.266 tors. eta vs tors. theta energy: -49.078 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: 6 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -836.143176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -836.143176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -836.143176 (E_RNA) where: Base-Base interactions energy: -557.139 where: short stacking energy: -243.595 Base-Backbone interact. energy: -2.002 local terms energy: -277.001546 where: bonds (distance) C4'-P energy: -60.544 bonds (distance) P-C4' energy: -58.503 flat angles C4'-P-C4' energy: -62.522 flat angles P-C4'-P energy: -33.052 tors. eta vs tors. theta energy: -62.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -702.540049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.540049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.540049 (E_RNA) where: Base-Base interactions energy: -459.846 where: short stacking energy: -201.805 Base-Backbone interact. energy: 0.393 local terms energy: -243.087105 where: bonds (distance) C4'-P energy: -48.176 bonds (distance) P-C4' energy: -61.304 flat angles C4'-P-C4' energy: -55.983 flat angles P-C4'-P energy: -40.596 tors. eta vs tors. theta energy: -37.029 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: 5 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -660.344957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.344957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.344957 (E_RNA) where: Base-Base interactions energy: -411.610 where: short stacking energy: -177.232 Base-Backbone interact. energy: 0.305 local terms energy: -249.040207 where: bonds (distance) C4'-P energy: -56.367 bonds (distance) P-C4' energy: -60.014 flat angles C4'-P-C4' energy: -54.493 flat angles P-C4'-P energy: -38.507 tors. eta vs tors. theta energy: -39.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -547.311118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.311118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.311118 (E_RNA) where: Base-Base interactions energy: -329.047 where: short stacking energy: -149.576 Base-Backbone interact. energy: 0.160 local terms energy: -218.424150 where: bonds (distance) C4'-P energy: -47.885 bonds (distance) P-C4' energy: -62.945 flat angles C4'-P-C4' energy: -42.732 flat angles P-C4'-P energy: -42.968 tors. eta vs tors. theta energy: -21.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -269.986890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.986890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.986890 (E_RNA) where: Base-Base interactions energy: -79.296 where: short stacking energy: -77.561 Base-Backbone interact. energy: 0.088 local terms energy: -190.778306 where: bonds (distance) C4'-P energy: -51.982 bonds (distance) P-C4' energy: -57.202 flat angles C4'-P-C4' energy: -38.580 flat angles P-C4'-P energy: -43.294 tors. eta vs tors. theta energy: 0.280 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: 1, replica: 8 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -1146.742365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.742365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.742365 (E_RNA) where: Base-Base interactions energy: -805.316 where: short stacking energy: -317.018 Base-Backbone interact. energy: -2.816 local terms energy: -338.609833 where: bonds (distance) C4'-P energy: -66.525 bonds (distance) P-C4' energy: -66.465 flat angles C4'-P-C4' energy: -76.952 flat angles P-C4'-P energy: -46.410 tors. eta vs tors. theta energy: -82.259 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: 1 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -1073.531158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.531158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.531158 (E_RNA) where: Base-Base interactions energy: -731.406 where: short stacking energy: -308.574 Base-Backbone interact. energy: -3.439 local terms energy: -338.686302 where: bonds (distance) C4'-P energy: -60.035 bonds (distance) P-C4' energy: -68.577 flat angles C4'-P-C4' energy: -64.960 flat angles P-C4'-P energy: -57.491 tors. eta vs tors. theta energy: -87.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -987.435587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.435587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.435587 (E_RNA) where: Base-Base interactions energy: -668.686 where: short stacking energy: -263.068 Base-Backbone interact. energy: 0.191 local terms energy: -318.939819 where: bonds (distance) C4'-P energy: -63.123 bonds (distance) P-C4' energy: -65.022 flat angles C4'-P-C4' energy: -73.084 flat angles P-C4'-P energy: -45.346 tors. eta vs tors. theta energy: -72.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -970.857972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.857972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.857972 (E_RNA) where: Base-Base interactions energy: -669.629 where: short stacking energy: -266.277 Base-Backbone interact. energy: -4.872 local terms energy: -296.356640 where: bonds (distance) C4'-P energy: -58.633 bonds (distance) P-C4' energy: -52.402 flat angles C4'-P-C4' energy: -65.160 flat angles P-C4'-P energy: -45.517 tors. eta vs tors. theta energy: -74.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -868.264162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.264162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.264162 (E_RNA) where: Base-Base interactions energy: -578.168 where: short stacking energy: -262.862 Base-Backbone interact. energy: 1.356 local terms energy: -291.452219 where: bonds (distance) C4'-P energy: -65.775 bonds (distance) P-C4' energy: -57.355 flat angles C4'-P-C4' energy: -71.666 flat angles P-C4'-P energy: -33.324 tors. eta vs tors. theta energy: -63.333 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: 144 Temperature: 1.150000 Total energy: -775.331007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.331007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.331007 (E_RNA) where: Base-Base interactions energy: -495.477 where: short stacking energy: -214.727 Base-Backbone interact. energy: -3.115 local terms energy: -276.739134 where: bonds (distance) C4'-P energy: -60.783 bonds (distance) P-C4' energy: -60.073 flat angles C4'-P-C4' energy: -62.933 flat angles P-C4'-P energy: -40.858 tors. eta vs tors. theta energy: -52.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -693.690268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.690268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.690268 (E_RNA) where: Base-Base interactions energy: -456.299 where: short stacking energy: -186.985 Base-Backbone interact. energy: 3.304 local terms energy: -240.695367 where: bonds (distance) C4'-P energy: -40.971 bonds (distance) P-C4' energy: -64.053 flat angles C4'-P-C4' energy: -63.309 flat angles P-C4'-P energy: -37.194 tors. eta vs tors. theta energy: -35.167 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: 5 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -681.287088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -681.287088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -681.287088 (E_RNA) where: Base-Base interactions energy: -439.350 where: short stacking energy: -200.168 Base-Backbone interact. energy: -0.713 local terms energy: -241.223541 where: bonds (distance) C4'-P energy: -60.357 bonds (distance) P-C4' energy: -54.549 flat angles C4'-P-C4' energy: -59.064 flat angles P-C4'-P energy: -33.181 tors. eta vs tors. theta energy: -34.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -590.431953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.431953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.431953 (E_RNA) where: Base-Base interactions energy: -369.409 where: short stacking energy: -167.545 Base-Backbone interact. energy: 0.706 local terms energy: -221.728776 where: bonds (distance) C4'-P energy: -62.544 bonds (distance) P-C4' energy: -50.344 flat angles C4'-P-C4' energy: -50.238 flat angles P-C4'-P energy: -25.167 tors. eta vs tors. theta energy: -33.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -277.568407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.568407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.568407 (E_RNA) where: Base-Base interactions energy: -92.065 where: short stacking energy: -86.847 Base-Backbone interact. energy: -1.444 local terms energy: -184.059799 where: bonds (distance) C4'-P energy: -54.285 bonds (distance) P-C4' energy: -53.934 flat angles C4'-P-C4' energy: -47.971 flat angles P-C4'-P energy: -31.390 tors. eta vs tors. theta energy: 3.520 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: 8 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -1140.647855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.647855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.647855 (E_RNA) where: Base-Base interactions energy: -782.860 where: short stacking energy: -308.760 Base-Backbone interact. energy: -4.171 local terms energy: -353.616752 where: bonds (distance) C4'-P energy: -65.868 bonds (distance) P-C4' energy: -70.804 flat angles C4'-P-C4' energy: -72.715 flat angles P-C4'-P energy: -54.273 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: 2, replica: 1 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -1068.390243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.390243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.390243 (E_RNA) where: Base-Base interactions energy: -733.703 where: short stacking energy: -298.595 Base-Backbone interact. energy: 1.059 local terms energy: -335.746246 where: bonds (distance) C4'-P energy: -59.350 bonds (distance) P-C4' energy: -65.295 flat angles C4'-P-C4' energy: -69.663 flat angles P-C4'-P energy: -54.011 tors. eta vs tors. theta energy: -87.427 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: 3 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -977.389028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.389028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.389028 (E_RNA) where: Base-Base interactions energy: -681.692 where: short stacking energy: -243.092 Base-Backbone interact. energy: -3.432 local terms energy: -292.265003 where: bonds (distance) C4'-P energy: -67.371 bonds (distance) P-C4' energy: -63.814 flat angles C4'-P-C4' energy: -62.660 flat angles P-C4'-P energy: -39.110 tors. eta vs tors. theta energy: -59.309 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: 2 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -969.208718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -969.208718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -969.208718 (E_RNA) where: Base-Base interactions energy: -671.346 where: short stacking energy: -257.584 Base-Backbone interact. energy: -3.838 local terms energy: -294.024978 where: bonds (distance) C4'-P energy: -53.545 bonds (distance) P-C4' energy: -58.597 flat angles C4'-P-C4' energy: -62.150 flat angles P-C4'-P energy: -44.343 tors. eta vs tors. theta energy: -75.391 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: 5, replica: 6 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -875.338580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.338580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.338580 (E_RNA) where: Base-Base interactions energy: -577.027 where: short stacking energy: -271.296 Base-Backbone interact. energy: -1.704 local terms energy: -296.607260 where: bonds (distance) C4'-P energy: -61.262 bonds (distance) P-C4' energy: -69.863 flat angles C4'-P-C4' energy: -60.711 flat angles P-C4'-P energy: -40.412 tors. eta vs tors. theta energy: -64.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -791.159507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.159507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.159507 (E_RNA) where: Base-Base interactions energy: -515.822 where: short stacking energy: -219.366 Base-Backbone interact. energy: -0.841 local terms energy: -274.497185 where: bonds (distance) C4'-P energy: -65.230 bonds (distance) P-C4' energy: -58.246 flat angles C4'-P-C4' energy: -60.912 flat angles P-C4'-P energy: -41.371 tors. eta vs tors. theta energy: -48.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -676.798511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.798511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.798511 (E_RNA) where: Base-Base interactions energy: -436.623 where: short stacking energy: -191.831 Base-Backbone interact. energy: -1.690 local terms energy: -238.486429 where: bonds (distance) C4'-P energy: -45.032 bonds (distance) P-C4' energy: -53.046 flat angles C4'-P-C4' energy: -57.475 flat angles P-C4'-P energy: -41.214 tors. eta vs tors. theta energy: -41.719 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: 5 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -669.900884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.900884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.900884 (E_RNA) where: Base-Base interactions energy: -422.738 where: short stacking energy: -214.633 Base-Backbone interact. energy: -2.309 local terms energy: -244.853835 where: bonds (distance) C4'-P energy: -59.939 bonds (distance) P-C4' energy: -58.532 flat angles C4'-P-C4' energy: -50.294 flat angles P-C4'-P energy: -25.097 tors. eta vs tors. theta energy: -50.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -593.746147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.746147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.746147 (E_RNA) where: Base-Base interactions energy: -353.380 where: short stacking energy: -164.630 Base-Backbone interact. energy: -0.381 local terms energy: -239.985135 where: bonds (distance) C4'-P energy: -58.256 bonds (distance) P-C4' energy: -66.002 flat angles C4'-P-C4' energy: -49.574 flat angles P-C4'-P energy: -36.091 tors. eta vs tors. theta energy: -30.062 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: 4 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -266.048828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.048828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.048828 (E_RNA) where: Base-Base interactions energy: -78.180 where: short stacking energy: -68.124 Base-Backbone interact. energy: 0.587 local terms energy: -188.455643 where: bonds (distance) C4'-P energy: -45.476 bonds (distance) P-C4' energy: -67.747 flat angles C4'-P-C4' energy: -51.476 flat angles P-C4'-P energy: -37.934 tors. eta vs tors. theta energy: 14.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -1147.385791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.385791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.385791 (E_RNA) where: Base-Base interactions energy: -797.355 where: short stacking energy: -328.733 Base-Backbone interact. energy: -2.440 local terms energy: -347.590989 where: bonds (distance) C4'-P energy: -65.958 bonds (distance) P-C4' energy: -67.084 flat angles C4'-P-C4' energy: -73.730 flat angles P-C4'-P energy: -46.549 tors. eta vs tors. theta energy: -94.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -1084.231755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.231755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.231755 (E_RNA) where: Base-Base interactions energy: -778.594 where: short stacking energy: -303.921 Base-Backbone interact. energy: -3.006 local terms energy: -302.632207 where: bonds (distance) C4'-P energy: -49.233 bonds (distance) P-C4' energy: -51.888 flat angles C4'-P-C4' energy: -71.997 flat angles P-C4'-P energy: -47.923 tors. eta vs tors. theta energy: -81.590 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: 3, replica: 3 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -993.215834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.215834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.215834 (E_RNA) where: Base-Base interactions energy: -702.477 where: short stacking energy: -287.459 Base-Backbone interact. energy: -3.248 local terms energy: -287.490870 where: bonds (distance) C4'-P energy: -58.856 bonds (distance) P-C4' energy: -53.591 flat angles C4'-P-C4' energy: -61.523 flat angles P-C4'-P energy: -40.336 tors. eta vs tors. theta energy: -73.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -992.280454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.280454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.280454 (E_RNA) where: Base-Base interactions energy: -676.930 where: short stacking energy: -263.556 Base-Backbone interact. energy: -2.040 local terms energy: -313.310503 where: bonds (distance) C4'-P energy: -56.349 bonds (distance) P-C4' energy: -65.323 flat angles C4'-P-C4' energy: -67.698 flat angles P-C4'-P energy: -52.365 tors. eta vs tors. theta energy: -71.575 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: 6 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -859.044313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.044313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.044313 (E_RNA) where: Base-Base interactions energy: -576.160 where: short stacking energy: -248.466 Base-Backbone interact. energy: 0.909 local terms energy: -283.792706 where: bonds (distance) C4'-P energy: -56.520 bonds (distance) P-C4' energy: -59.245 flat angles C4'-P-C4' energy: -69.314 flat angles P-C4'-P energy: -34.610 tors. eta vs tors. theta energy: -64.104 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: 146 Temperature: 1.150000 Total energy: -788.670146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.670146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.670146 (E_RNA) where: Base-Base interactions energy: -520.158 where: short stacking energy: -207.060 Base-Backbone interact. energy: 0.290 local terms energy: -268.801769 where: bonds (distance) C4'-P energy: -59.219 bonds (distance) P-C4' energy: -52.803 flat angles C4'-P-C4' energy: -67.070 flat angles P-C4'-P energy: -44.013 tors. eta vs tors. theta energy: -45.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -696.554872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.554872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.554872 (E_RNA) where: Base-Base interactions energy: -422.759 where: short stacking energy: -191.262 Base-Backbone interact. energy: 0.236 local terms energy: -274.031376 where: bonds (distance) C4'-P energy: -57.430 bonds (distance) P-C4' energy: -71.310 flat angles C4'-P-C4' energy: -49.471 flat angles P-C4'-P energy: -46.523 tors. eta vs tors. theta energy: -49.297 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: 8, replica: 5 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -614.091250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.091250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.091250 (E_RNA) where: Base-Base interactions energy: -382.277 where: short stacking energy: -169.143 Base-Backbone interact. energy: 2.318 local terms energy: -234.131771 where: bonds (distance) C4'-P energy: -50.256 bonds (distance) P-C4' energy: -60.212 flat angles C4'-P-C4' energy: -50.553 flat angles P-C4'-P energy: -47.514 tors. eta vs tors. theta energy: -25.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -546.523093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.523093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.523093 (E_RNA) where: Base-Base interactions energy: -359.101 where: short stacking energy: -148.974 Base-Backbone interact. energy: 3.158 local terms energy: -190.579971 where: bonds (distance) C4'-P energy: -55.543 bonds (distance) P-C4' energy: -51.567 flat angles C4'-P-C4' energy: -49.797 flat angles P-C4'-P energy: -20.338 tors. eta vs tors. theta energy: -13.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -277.817316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.817316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.817316 (E_RNA) where: Base-Base interactions energy: -102.987 where: short stacking energy: -90.776 Base-Backbone interact. energy: 1.413 local terms energy: -176.243693 where: bonds (distance) C4'-P energy: -53.265 bonds (distance) P-C4' energy: -57.970 flat angles C4'-P-C4' energy: -55.117 flat angles P-C4'-P energy: -11.837 tors. eta vs tors. theta energy: 1.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -1176.970401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.970401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.970401 (E_RNA) where: Base-Base interactions energy: -810.796 where: short stacking energy: -340.813 Base-Backbone interact. energy: -3.060 local terms energy: -363.114836 where: bonds (distance) C4'-P energy: -73.896 bonds (distance) P-C4' energy: -64.365 flat angles C4'-P-C4' energy: -76.915 flat angles P-C4'-P energy: -54.617 tors. eta vs tors. theta energy: -93.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -1089.001966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.001966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.001966 (E_RNA) where: Base-Base interactions energy: -750.137 where: short stacking energy: -313.138 Base-Backbone interact. energy: -2.264 local terms energy: -336.600501 where: bonds (distance) C4'-P energy: -55.864 bonds (distance) P-C4' energy: -70.995 flat angles C4'-P-C4' energy: -74.988 flat angles P-C4'-P energy: -49.660 tors. eta vs tors. theta energy: -85.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -1003.150784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.150784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.150784 (E_RNA) where: Base-Base interactions energy: -692.402 where: short stacking energy: -282.598 Base-Backbone interact. energy: -1.900 local terms energy: -308.848495 where: bonds (distance) C4'-P energy: -54.370 bonds (distance) P-C4' energy: -68.773 flat angles C4'-P-C4' energy: -71.053 flat angles P-C4'-P energy: -43.040 tors. eta vs tors. theta energy: -71.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -995.610863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.610863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.610863 (E_RNA) where: Base-Base interactions energy: -683.680 where: short stacking energy: -266.640 Base-Backbone interact. energy: 1.400 local terms energy: -313.331617 where: bonds (distance) C4'-P energy: -64.686 bonds (distance) P-C4' energy: -64.736 flat angles C4'-P-C4' energy: -59.232 flat angles P-C4'-P energy: -54.178 tors. eta vs tors. theta energy: -70.500 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: 6 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -892.381689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.381689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.381689 (E_RNA) where: Base-Base interactions energy: -587.248 where: short stacking energy: -265.930 Base-Backbone interact. energy: 2.632 local terms energy: -307.765698 where: bonds (distance) C4'-P energy: -65.241 bonds (distance) P-C4' energy: -64.713 flat angles C4'-P-C4' energy: -66.450 flat angles P-C4'-P energy: -42.960 tors. eta vs tors. theta energy: -68.401 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: 9 ===================================== Write number: 147 Temperature: 1.150000 Total energy: -732.979436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.979436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.979436 (E_RNA) where: Base-Base interactions energy: -473.868 where: short stacking energy: -199.400 Base-Backbone interact. energy: -3.198 local terms energy: -255.913019 where: bonds (distance) C4'-P energy: -62.712 bonds (distance) P-C4' energy: -62.229 flat angles C4'-P-C4' energy: -61.098 flat angles P-C4'-P energy: -36.403 tors. eta vs tors. theta energy: -33.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -693.293121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -693.293121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -693.293121 (E_RNA) where: Base-Base interactions energy: -428.060 where: short stacking energy: -218.172 Base-Backbone interact. energy: -0.643 local terms energy: -264.590554 where: bonds (distance) C4'-P energy: -45.142 bonds (distance) P-C4' energy: -64.996 flat angles C4'-P-C4' energy: -55.706 flat angles P-C4'-P energy: -39.602 tors. eta vs tors. theta energy: -59.144 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: 5 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -605.059680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.059680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.059680 (E_RNA) where: Base-Base interactions energy: -368.621 where: short stacking energy: -173.917 Base-Backbone interact. energy: 0.566 local terms energy: -237.004627 where: bonds (distance) C4'-P energy: -56.680 bonds (distance) P-C4' energy: -67.112 flat angles C4'-P-C4' energy: -49.411 flat angles P-C4'-P energy: -31.770 tors. eta vs tors. theta energy: -32.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -573.161883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.161883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.161883 (E_RNA) where: Base-Base interactions energy: -358.131 where: short stacking energy: -182.187 Base-Backbone interact. energy: 2.480 local terms energy: -217.510723 where: bonds (distance) C4'-P energy: -48.481 bonds (distance) P-C4' energy: -53.440 flat angles C4'-P-C4' energy: -52.894 flat angles P-C4'-P energy: -37.140 tors. eta vs tors. theta energy: -25.556 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: 4 ===================================== Write number: 147 Temperature: 1.350000 Total energy: -269.678372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.678372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.678372 (E_RNA) where: Base-Base interactions energy: -111.848 where: short stacking energy: -77.551 Base-Backbone interact. energy: -2.321 local terms energy: -155.509824 where: bonds (distance) C4'-P energy: -38.301 bonds (distance) P-C4' energy: -44.316 flat angles C4'-P-C4' energy: -50.629 flat angles P-C4'-P energy: -35.690 tors. eta vs tors. theta energy: 13.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -1170.319387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.319387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.319387 (E_RNA) where: Base-Base interactions energy: -810.571 where: short stacking energy: -331.199 Base-Backbone interact. energy: 0.821 local terms energy: -360.569609 where: bonds (distance) C4'-P energy: -56.249 bonds (distance) P-C4' energy: -76.930 flat angles C4'-P-C4' energy: -77.115 flat angles P-C4'-P energy: -52.386 tors. eta vs tors. theta energy: -97.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -1099.272658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.272658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.272658 (E_RNA) where: Base-Base interactions energy: -755.395 where: short stacking energy: -315.347 Base-Backbone interact. energy: -0.686 local terms energy: -343.191249 where: bonds (distance) C4'-P energy: -58.475 bonds (distance) P-C4' energy: -68.180 flat angles C4'-P-C4' energy: -78.456 flat angles P-C4'-P energy: -50.801 tors. eta vs tors. theta energy: -87.279 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: 3, replica: 2 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -981.851461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.851461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.851461 (E_RNA) where: Base-Base interactions energy: -662.545 where: short stacking energy: -266.854 Base-Backbone interact. energy: 0.426 local terms energy: -319.732340 where: bonds (distance) C4'-P energy: -65.169 bonds (distance) P-C4' energy: -57.468 flat angles C4'-P-C4' energy: -73.494 flat angles P-C4'-P energy: -52.985 tors. eta vs tors. theta energy: -70.616 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: 4, replica: 3 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -1000.122599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.122599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.122599 (E_RNA) where: Base-Base interactions energy: -699.460 where: short stacking energy: -267.721 Base-Backbone interact. energy: -4.002 local terms energy: -296.660524 where: bonds (distance) C4'-P energy: -57.617 bonds (distance) P-C4' energy: -49.326 flat angles C4'-P-C4' energy: -78.353 flat angles P-C4'-P energy: -47.776 tors. eta vs tors. theta energy: -63.588 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: 6 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -905.138994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.138994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.138994 (E_RNA) where: Base-Base interactions energy: -623.570 where: short stacking energy: -273.164 Base-Backbone interact. energy: -1.502 local terms energy: -280.066639 where: bonds (distance) C4'-P energy: -65.592 bonds (distance) P-C4' energy: -55.247 flat angles C4'-P-C4' energy: -63.758 flat angles P-C4'-P energy: -34.194 tors. eta vs tors. theta energy: -61.276 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: 148 Temperature: 1.150000 Total energy: -753.586488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.586488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.586488 (E_RNA) where: Base-Base interactions energy: -490.123 where: short stacking energy: -215.744 Base-Backbone interact. energy: 0.548 local terms energy: -264.011448 where: bonds (distance) C4'-P energy: -57.715 bonds (distance) P-C4' energy: -55.007 flat angles C4'-P-C4' energy: -67.065 flat angles P-C4'-P energy: -36.230 tors. eta vs tors. theta energy: -47.994 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: 10 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -674.684759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.684759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.684759 (E_RNA) where: Base-Base interactions energy: -424.690 where: short stacking energy: -184.558 Base-Backbone interact. energy: -1.529 local terms energy: -248.465884 where: bonds (distance) C4'-P energy: -55.070 bonds (distance) P-C4' energy: -65.423 flat angles C4'-P-C4' energy: -52.335 flat angles P-C4'-P energy: -42.479 tors. eta vs tors. theta energy: -33.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -585.795264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.795264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.795264 (E_RNA) where: Base-Base interactions energy: -385.860 where: short stacking energy: -148.972 Base-Backbone interact. energy: 1.061 local terms energy: -200.996582 where: bonds (distance) C4'-P energy: -53.664 bonds (distance) P-C4' energy: -40.291 flat angles C4'-P-C4' energy: -52.433 flat angles P-C4'-P energy: -32.008 tors. eta vs tors. theta energy: -22.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -563.354243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -563.354243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -563.354243 (E_RNA) where: Base-Base interactions energy: -346.322 where: short stacking energy: -160.361 Base-Backbone interact. energy: -1.998 local terms energy: -215.034502 where: bonds (distance) C4'-P energy: -43.217 bonds (distance) P-C4' energy: -50.231 flat angles C4'-P-C4' energy: -62.539 flat angles P-C4'-P energy: -34.994 tors. eta vs tors. theta energy: -24.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -279.695544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -279.695544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -279.695544 (E_RNA) where: Base-Base interactions energy: -101.524 where: short stacking energy: -68.958 Base-Backbone interact. energy: -0.758 local terms energy: -177.413724 where: bonds (distance) C4'-P energy: -61.536 bonds (distance) P-C4' energy: -61.903 flat angles C4'-P-C4' energy: -44.154 flat angles P-C4'-P energy: -26.696 tors. eta vs tors. theta energy: 16.876 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: 8 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -1172.411076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.411076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.411076 (E_RNA) where: Base-Base interactions energy: -824.987 where: short stacking energy: -340.245 Base-Backbone interact. energy: -2.947 local terms energy: -344.477815 where: bonds (distance) C4'-P energy: -58.886 bonds (distance) P-C4' energy: -60.086 flat angles C4'-P-C4' energy: -73.095 flat angles P-C4'-P energy: -49.528 tors. eta vs tors. theta energy: -102.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -1072.462581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.462581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.462581 (E_RNA) where: Base-Base interactions energy: -746.080 where: short stacking energy: -301.026 Base-Backbone interact. energy: -0.846 local terms energy: -325.537066 where: bonds (distance) C4'-P energy: -66.386 bonds (distance) P-C4' energy: -61.609 flat angles C4'-P-C4' energy: -71.878 flat angles P-C4'-P energy: -41.300 tors. eta vs tors. theta energy: -84.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -991.769754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.769754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.769754 (E_RNA) where: Base-Base interactions energy: -683.846 where: short stacking energy: -281.843 Base-Backbone interact. energy: -3.770 local terms energy: -304.154214 where: bonds (distance) C4'-P energy: -60.259 bonds (distance) P-C4' energy: -67.230 flat angles C4'-P-C4' energy: -72.340 flat angles P-C4'-P energy: -34.366 tors. eta vs tors. theta energy: -69.960 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: 3 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -974.830675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.830675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.830675 (E_RNA) where: Base-Base interactions energy: -683.903 where: short stacking energy: -261.922 Base-Backbone interact. energy: -4.746 local terms energy: -286.182256 where: bonds (distance) C4'-P energy: -49.846 bonds (distance) P-C4' energy: -69.202 flat angles C4'-P-C4' energy: -69.979 flat angles P-C4'-P energy: -39.156 tors. eta vs tors. theta energy: -57.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -913.987357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.987357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.987357 (E_RNA) where: Base-Base interactions energy: -597.624 where: short stacking energy: -267.210 Base-Backbone interact. energy: -0.692 local terms energy: -315.671714 where: bonds (distance) C4'-P energy: -59.866 bonds (distance) P-C4' energy: -60.004 flat angles C4'-P-C4' energy: -63.818 flat angles P-C4'-P energy: -52.812 tors. eta vs tors. theta energy: -79.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -756.773626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.773626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.773626 (E_RNA) where: Base-Base interactions energy: -481.035 where: short stacking energy: -213.976 Base-Backbone interact. energy: -2.624 local terms energy: -273.115015 where: bonds (distance) C4'-P energy: -65.845 bonds (distance) P-C4' energy: -70.633 flat angles C4'-P-C4' energy: -50.199 flat angles P-C4'-P energy: -43.273 tors. eta vs tors. theta energy: -43.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -690.033459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.033459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.033459 (E_RNA) where: Base-Base interactions energy: -428.781 where: short stacking energy: -184.034 Base-Backbone interact. energy: 0.534 local terms energy: -261.786872 where: bonds (distance) C4'-P energy: -54.548 bonds (distance) P-C4' energy: -65.644 flat angles C4'-P-C4' energy: -54.756 flat angles P-C4'-P energy: -48.947 tors. eta vs tors. theta energy: -37.893 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: 5 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -612.307641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.307641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.307641 (E_RNA) where: Base-Base interactions energy: -381.623 where: short stacking energy: -172.074 Base-Backbone interact. energy: -1.500 local terms energy: -229.184237 where: bonds (distance) C4'-P energy: -56.869 bonds (distance) P-C4' energy: -55.776 flat angles C4'-P-C4' energy: -40.836 flat angles P-C4'-P energy: -44.814 tors. eta vs tors. theta energy: -30.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -580.288744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.288744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.288744 (E_RNA) where: Base-Base interactions energy: -349.188 where: short stacking energy: -170.522 Base-Backbone interact. energy: 1.854 local terms energy: -232.955129 where: bonds (distance) C4'-P energy: -50.809 bonds (distance) P-C4' energy: -55.210 flat angles C4'-P-C4' energy: -56.269 flat angles P-C4'-P energy: -37.128 tors. eta vs tors. theta energy: -33.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -282.187850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.187850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.187850 (E_RNA) where: Base-Base interactions energy: -116.752 where: short stacking energy: -95.611 Base-Backbone interact. energy: 0.716 local terms energy: -166.151767 where: bonds (distance) C4'-P energy: -56.912 bonds (distance) P-C4' energy: -46.647 flat angles C4'-P-C4' energy: -44.579 flat angles P-C4'-P energy: -26.927 tors. eta vs tors. theta energy: 8.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -1145.618333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.618333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.618333 (E_RNA) where: Base-Base interactions energy: -785.711 where: short stacking energy: -319.786 Base-Backbone interact. energy: -1.371 local terms energy: -358.536840 where: bonds (distance) C4'-P energy: -73.832 bonds (distance) P-C4' energy: -67.299 flat angles C4'-P-C4' energy: -74.925 flat angles P-C4'-P energy: -52.723 tors. eta vs tors. theta energy: -89.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -1097.988347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1097.988347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1097.988347 (E_RNA) where: Base-Base interactions energy: -756.233 where: short stacking energy: -316.693 Base-Backbone interact. energy: -3.216 local terms energy: -338.538945 where: bonds (distance) C4'-P energy: -70.838 bonds (distance) P-C4' energy: -62.133 flat angles C4'-P-C4' energy: -68.928 flat angles P-C4'-P energy: -51.509 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: 3, replica: 3 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -995.583954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.583954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.583954 (E_RNA) where: Base-Base interactions energy: -664.243 where: short stacking energy: -279.918 Base-Backbone interact. energy: 0.410 local terms energy: -331.751725 where: bonds (distance) C4'-P energy: -71.548 bonds (distance) P-C4' energy: -61.845 flat angles C4'-P-C4' energy: -71.061 flat angles P-C4'-P energy: -51.951 tors. eta vs tors. theta energy: -75.347 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: 4, replica: 2 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -967.847616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.847616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.847616 (E_RNA) where: Base-Base interactions energy: -665.091 where: short stacking energy: -285.662 Base-Backbone interact. energy: -5.021 local terms energy: -297.735937 where: bonds (distance) C4'-P energy: -52.644 bonds (distance) P-C4' energy: -58.370 flat angles C4'-P-C4' energy: -68.301 flat angles P-C4'-P energy: -47.102 tors. eta vs tors. theta energy: -71.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -885.818799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.818799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.818799 (E_RNA) where: Base-Base interactions energy: -603.230 where: short stacking energy: -266.325 Base-Backbone interact. energy: -1.716 local terms energy: -280.873222 where: bonds (distance) C4'-P energy: -53.338 bonds (distance) P-C4' energy: -52.466 flat angles C4'-P-C4' energy: -69.592 flat angles P-C4'-P energy: -40.930 tors. eta vs tors. theta energy: -64.547 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: 150 Temperature: 1.150000 Total energy: -770.661285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.661285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.661285 (E_RNA) where: Base-Base interactions energy: -511.124 where: short stacking energy: -214.259 Base-Backbone interact. energy: -2.285 local terms energy: -257.252075 where: bonds (distance) C4'-P energy: -53.811 bonds (distance) P-C4' energy: -62.541 flat angles C4'-P-C4' energy: -62.249 flat angles P-C4'-P energy: -32.843 tors. eta vs tors. theta energy: -45.808 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: 7, replica: 10 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -675.232245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.232245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.232245 (E_RNA) where: Base-Base interactions energy: -439.280 where: short stacking energy: -216.694 Base-Backbone interact. energy: 0.387 local terms energy: -236.338626 where: bonds (distance) C4'-P energy: -55.936 bonds (distance) P-C4' energy: -59.133 flat angles C4'-P-C4' energy: -56.741 flat angles P-C4'-P energy: -26.573 tors. eta vs tors. theta energy: -37.956 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: 8, replica: 5 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -589.512805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.512805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.512805 (E_RNA) where: Base-Base interactions energy: -373.528 where: short stacking energy: -178.122 Base-Backbone interact. energy: 2.493 local terms energy: -218.477861 where: bonds (distance) C4'-P energy: -57.264 bonds (distance) P-C4' energy: -59.113 flat angles C4'-P-C4' energy: -37.769 flat angles P-C4'-P energy: -33.367 tors. eta vs tors. theta energy: -30.965 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: 7 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -554.280032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.280032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.280032 (E_RNA) where: Base-Base interactions energy: -341.224 where: short stacking energy: -159.791 Base-Backbone interact. energy: -0.997 local terms energy: -212.059646 where: bonds (distance) C4'-P energy: -44.528 bonds (distance) P-C4' energy: -57.045 flat angles C4'-P-C4' energy: -62.271 flat angles P-C4'-P energy: -28.736 tors. eta vs tors. theta energy: -19.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -275.608038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.608038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.608038 (E_RNA) where: Base-Base interactions energy: -101.707 where: short stacking energy: -75.919 Base-Backbone interact. energy: 2.446 local terms energy: -176.347209 where: bonds (distance) C4'-P energy: -46.856 bonds (distance) P-C4' energy: -58.206 flat angles C4'-P-C4' energy: -42.128 flat angles P-C4'-P energy: -37.892 tors. eta vs tors. theta energy: 8.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -1142.591228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.591228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.591228 (E_RNA) where: Base-Base interactions energy: -793.400 where: short stacking energy: -335.173 Base-Backbone interact. energy: -3.040 local terms energy: -346.150954 where: bonds (distance) C4'-P energy: -67.289 bonds (distance) P-C4' energy: -65.056 flat angles C4'-P-C4' energy: -73.060 flat angles P-C4'-P energy: -51.398 tors. eta vs tors. theta energy: -89.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -1099.963744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.963744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.963744 (E_RNA) where: Base-Base interactions energy: -749.477 where: short stacking energy: -312.430 Base-Backbone interact. energy: -3.842 local terms energy: -346.645163 where: bonds (distance) C4'-P energy: -74.256 bonds (distance) P-C4' energy: -52.600 flat angles C4'-P-C4' energy: -74.674 flat angles P-C4'-P energy: -54.316 tors. eta vs tors. theta energy: -90.800 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: 3 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -986.886504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.886504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.886504 (E_RNA) where: Base-Base interactions energy: -652.401 where: short stacking energy: -284.681 Base-Backbone interact. energy: 0.717 local terms energy: -335.202726 where: bonds (distance) C4'-P energy: -61.182 bonds (distance) P-C4' energy: -74.726 flat angles C4'-P-C4' energy: -77.653 flat angles P-C4'-P energy: -48.915 tors. eta vs tors. theta energy: -72.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -950.847809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.847809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.847809 (E_RNA) where: Base-Base interactions energy: -652.854 where: short stacking energy: -258.795 Base-Backbone interact. energy: 0.153 local terms energy: -298.146300 where: bonds (distance) C4'-P energy: -59.965 bonds (distance) P-C4' energy: -56.859 flat angles C4'-P-C4' energy: -62.225 flat angles P-C4'-P energy: -50.308 tors. eta vs tors. theta energy: -68.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -892.816240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.816240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.816240 (E_RNA) where: Base-Base interactions energy: -591.750 where: short stacking energy: -270.491 Base-Backbone interact. energy: -1.971 local terms energy: -299.095175 where: bonds (distance) C4'-P energy: -45.638 bonds (distance) P-C4' energy: -60.250 flat angles C4'-P-C4' energy: -68.400 flat angles P-C4'-P energy: -48.614 tors. eta vs tors. theta energy: -76.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -764.337152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.337152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.337152 (E_RNA) where: Base-Base interactions energy: -499.574 where: short stacking energy: -214.020 Base-Backbone interact. energy: -0.921 local terms energy: -263.842170 where: bonds (distance) C4'-P energy: -51.270 bonds (distance) P-C4' energy: -60.550 flat angles C4'-P-C4' energy: -66.558 flat angles P-C4'-P energy: -44.758 tors. eta vs tors. theta energy: -40.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -715.263240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.263240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.263240 (E_RNA) where: Base-Base interactions energy: -441.391 where: short stacking energy: -193.701 Base-Backbone interact. energy: -1.508 local terms energy: -272.364593 where: bonds (distance) C4'-P energy: -62.061 bonds (distance) P-C4' energy: -70.217 flat angles C4'-P-C4' energy: -53.358 flat angles P-C4'-P energy: -40.690 tors. eta vs tors. theta energy: -46.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -591.500154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.500154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.500154 (E_RNA) where: Base-Base interactions energy: -342.533 where: short stacking energy: -172.381 Base-Backbone interact. energy: -2.467 local terms energy: -246.499621 where: bonds (distance) C4'-P energy: -57.180 bonds (distance) P-C4' energy: -59.258 flat angles C4'-P-C4' energy: -63.890 flat angles P-C4'-P energy: -38.166 tors. eta vs tors. theta energy: -28.006 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: 7 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -515.229120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.229120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.229120 (E_RNA) where: Base-Base interactions energy: -290.105 where: short stacking energy: -130.836 Base-Backbone interact. energy: -0.775 local terms energy: -224.349062 where: bonds (distance) C4'-P energy: -64.195 bonds (distance) P-C4' energy: -59.765 flat angles C4'-P-C4' energy: -50.858 flat angles P-C4'-P energy: -35.138 tors. eta vs tors. theta energy: -14.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -270.734053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.734053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.734053 (E_RNA) where: Base-Base interactions energy: -97.070 where: short stacking energy: -71.396 Base-Backbone interact. energy: -1.294 local terms energy: -172.370091 where: bonds (distance) C4'-P energy: -53.900 bonds (distance) P-C4' energy: -53.102 flat angles C4'-P-C4' energy: -54.738 flat angles P-C4'-P energy: -28.478 tors. eta vs tors. theta energy: 17.847 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: 8 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -1148.555311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.555311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.555311 (E_RNA) where: Base-Base interactions energy: -800.583 where: short stacking energy: -319.488 Base-Backbone interact. energy: -0.032 local terms energy: -347.939752 where: bonds (distance) C4'-P energy: -66.287 bonds (distance) P-C4' energy: -62.761 flat angles C4'-P-C4' energy: -74.157 flat angles P-C4'-P energy: -52.124 tors. eta vs tors. theta energy: -92.611 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: 1 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -1071.439812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1071.439812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1071.439812 (E_RNA) where: Base-Base interactions energy: -734.996 where: short stacking energy: -303.070 Base-Backbone interact. energy: -2.825 local terms energy: -333.618331 where: bonds (distance) C4'-P energy: -56.061 bonds (distance) P-C4' energy: -72.810 flat angles C4'-P-C4' energy: -67.254 flat angles P-C4'-P energy: -50.691 tors. eta vs tors. theta energy: -86.802 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -976.880539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.880539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.880539 (E_RNA) where: Base-Base interactions energy: -679.266 where: short stacking energy: -274.431 Base-Backbone interact. energy: 0.095 local terms energy: -297.708592 where: bonds (distance) C4'-P energy: -60.752 bonds (distance) P-C4' energy: -59.592 flat angles C4'-P-C4' energy: -70.128 flat angles P-C4'-P energy: -42.094 tors. eta vs tors. theta energy: -65.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -957.559304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.559304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.559304 (E_RNA) where: Base-Base interactions energy: -644.744 where: short stacking energy: -265.076 Base-Backbone interact. energy: -0.833 local terms energy: -311.982452 where: bonds (distance) C4'-P energy: -55.662 bonds (distance) P-C4' energy: -63.426 flat angles C4'-P-C4' energy: -67.734 flat angles P-C4'-P energy: -57.425 tors. eta vs tors. theta energy: -67.735 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: 6 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -922.499859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.499859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.499859 (E_RNA) where: Base-Base interactions energy: -603.726 where: short stacking energy: -273.689 Base-Backbone interact. energy: -1.255 local terms energy: -317.519561 where: bonds (distance) C4'-P energy: -58.741 bonds (distance) P-C4' energy: -60.266 flat angles C4'-P-C4' energy: -64.045 flat angles P-C4'-P energy: -53.353 tors. eta vs tors. theta energy: -81.114 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: 9 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -755.178060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.178060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.178060 (E_RNA) where: Base-Base interactions energy: -480.510 where: short stacking energy: -213.463 Base-Backbone interact. energy: 2.463 local terms energy: -277.131162 where: bonds (distance) C4'-P energy: -61.331 bonds (distance) P-C4' energy: -54.770 flat angles C4'-P-C4' energy: -64.846 flat angles P-C4'-P energy: -44.058 tors. eta vs tors. theta energy: -52.127 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: 10 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -632.918490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.918490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.918490 (E_RNA) where: Base-Base interactions energy: -379.795 where: short stacking energy: -171.162 Base-Backbone interact. energy: 1.051 local terms energy: -254.175063 where: bonds (distance) C4'-P energy: -49.955 bonds (distance) P-C4' energy: -66.423 flat angles C4'-P-C4' energy: -59.128 flat angles P-C4'-P energy: -38.948 tors. eta vs tors. theta energy: -39.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -607.673374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.673374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.673374 (E_RNA) where: Base-Base interactions energy: -371.268 where: short stacking energy: -179.932 Base-Backbone interact. energy: -2.357 local terms energy: -234.048467 where: bonds (distance) C4'-P energy: -55.907 bonds (distance) P-C4' energy: -57.378 flat angles C4'-P-C4' energy: -54.058 flat angles P-C4'-P energy: -31.517 tors. eta vs tors. theta energy: -35.189 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: 7 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -566.498680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.498680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.498680 (E_RNA) where: Base-Base interactions energy: -338.691 where: short stacking energy: -173.843 Base-Backbone interact. energy: 1.666 local terms energy: -229.473340 where: bonds (distance) C4'-P energy: -66.798 bonds (distance) P-C4' energy: -47.318 flat angles C4'-P-C4' energy: -56.742 flat angles P-C4'-P energy: -31.479 tors. eta vs tors. theta energy: -27.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -276.262742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.262742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.262742 (E_RNA) where: Base-Base interactions energy: -117.244 where: short stacking energy: -87.404 Base-Backbone interact. energy: -2.655 local terms energy: -156.364639 where: bonds (distance) C4'-P energy: -45.159 bonds (distance) P-C4' energy: -55.843 flat angles C4'-P-C4' energy: -52.810 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: 3.085 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: 8 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -1175.332495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.332495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.332495 (E_RNA) where: Base-Base interactions energy: -805.678 where: short stacking energy: -344.831 Base-Backbone interact. energy: -1.948 local terms energy: -367.706102 where: bonds (distance) C4'-P energy: -56.389 bonds (distance) P-C4' energy: -73.925 flat angles C4'-P-C4' energy: -73.673 flat angles P-C4'-P energy: -56.793 tors. eta vs tors. theta energy: -106.925 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: 1 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -1048.216306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.216306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.216306 (E_RNA) where: Base-Base interactions energy: -742.485 where: short stacking energy: -283.543 Base-Backbone interact. energy: -4.538 local terms energy: -301.193399 where: bonds (distance) C4'-P energy: -59.748 bonds (distance) P-C4' energy: -66.660 flat angles C4'-P-C4' energy: -58.393 flat angles P-C4'-P energy: -40.797 tors. eta vs tors. theta energy: -75.597 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: 2 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -979.765164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.765164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.765164 (E_RNA) where: Base-Base interactions energy: -683.519 where: short stacking energy: -276.000 Base-Backbone interact. energy: -2.528 local terms energy: -293.717613 where: bonds (distance) C4'-P energy: -58.445 bonds (distance) P-C4' energy: -63.022 flat angles C4'-P-C4' energy: -68.402 flat angles P-C4'-P energy: -40.806 tors. eta vs tors. theta energy: -63.042 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: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -981.690757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.690757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.690757 (E_RNA) where: Base-Base interactions energy: -652.259 where: short stacking energy: -285.901 Base-Backbone interact. energy: -1.228 local terms energy: -328.203212 where: bonds (distance) C4'-P energy: -69.243 bonds (distance) P-C4' energy: -60.899 flat angles C4'-P-C4' energy: -78.687 flat angles P-C4'-P energy: -38.317 tors. eta vs tors. theta energy: -81.058 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: 6 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -900.717955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.717955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.717955 (E_RNA) where: Base-Base interactions energy: -587.795 where: short stacking energy: -248.000 Base-Backbone interact. energy: -1.645 local terms energy: -311.277312 where: bonds (distance) C4'-P energy: -55.588 bonds (distance) P-C4' energy: -64.432 flat angles C4'-P-C4' energy: -71.035 flat angles P-C4'-P energy: -41.682 tors. eta vs tors. theta energy: -78.541 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: 9 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -793.362928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.362928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.362928 (E_RNA) where: Base-Base interactions energy: -518.031 where: short stacking energy: -230.939 Base-Backbone interact. energy: 1.417 local terms energy: -276.748549 where: bonds (distance) C4'-P energy: -66.933 bonds (distance) P-C4' energy: -61.556 flat angles C4'-P-C4' energy: -57.480 flat angles P-C4'-P energy: -32.912 tors. eta vs tors. theta energy: -57.867 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: 7, replica: 10 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -648.139110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.139110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.139110 (E_RNA) where: Base-Base interactions energy: -409.270 where: short stacking energy: -187.488 Base-Backbone interact. energy: -1.477 local terms energy: -237.392565 where: bonds (distance) C4'-P energy: -59.886 bonds (distance) P-C4' energy: -47.409 flat angles C4'-P-C4' energy: -53.081 flat angles P-C4'-P energy: -40.856 tors. eta vs tors. theta energy: -36.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -588.981472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.981472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.981472 (E_RNA) where: Base-Base interactions energy: -376.746 where: short stacking energy: -180.224 Base-Backbone interact. energy: 0.612 local terms energy: -212.847064 where: bonds (distance) C4'-P energy: -54.711 bonds (distance) P-C4' energy: -53.551 flat angles C4'-P-C4' energy: -57.031 flat angles P-C4'-P energy: -24.600 tors. eta vs tors. theta energy: -22.954 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: 7 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -581.970140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.970140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.970140 (E_RNA) where: Base-Base interactions energy: -383.933 where: short stacking energy: -163.596 Base-Backbone interact. energy: -0.344 local terms energy: -197.692387 where: bonds (distance) C4'-P energy: -44.038 bonds (distance) P-C4' energy: -55.528 flat angles C4'-P-C4' energy: -47.625 flat angles P-C4'-P energy: -23.231 tors. eta vs tors. theta energy: -27.271 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: 4 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -271.944070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.944070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.944070 (E_RNA) where: Base-Base interactions energy: -106.239 where: short stacking energy: -96.467 Base-Backbone interact. energy: 1.996 local terms energy: -167.701019 where: bonds (distance) C4'-P energy: -48.801 bonds (distance) P-C4' energy: -52.825 flat angles C4'-P-C4' energy: -45.357 flat angles P-C4'-P energy: -23.528 tors. eta vs tors. theta energy: 2.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -1165.779956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.779956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.779956 (E_RNA) where: Base-Base interactions energy: -817.217 where: short stacking energy: -344.062 Base-Backbone interact. energy: -4.132 local terms energy: -344.430889 where: bonds (distance) C4'-P energy: -69.563 bonds (distance) P-C4' energy: -70.071 flat angles C4'-P-C4' energy: -68.156 flat angles P-C4'-P energy: -40.047 tors. eta vs tors. theta energy: -96.594 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: 1 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -1073.916806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.916806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.916806 (E_RNA) where: Base-Base interactions energy: -752.475 where: short stacking energy: -298.851 Base-Backbone interact. energy: -1.020 local terms energy: -320.421384 where: bonds (distance) C4'-P energy: -63.531 bonds (distance) P-C4' energy: -55.577 flat angles C4'-P-C4' energy: -62.669 flat angles P-C4'-P energy: -48.878 tors. eta vs tors. theta energy: -89.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -990.073241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.073241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.073241 (E_RNA) where: Base-Base interactions energy: -674.590 where: short stacking energy: -250.528 Base-Backbone interact. energy: -4.525 local terms energy: -310.958954 where: bonds (distance) C4'-P energy: -62.607 bonds (distance) P-C4' energy: -70.758 flat angles C4'-P-C4' energy: -68.468 flat angles P-C4'-P energy: -43.065 tors. eta vs tors. theta energy: -66.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -974.439834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.439834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.439834 (E_RNA) where: Base-Base interactions energy: -658.882 where: short stacking energy: -272.192 Base-Backbone interact. energy: -0.970 local terms energy: -314.587816 where: bonds (distance) C4'-P energy: -61.957 bonds (distance) P-C4' energy: -63.117 flat angles C4'-P-C4' energy: -74.867 flat angles P-C4'-P energy: -41.534 tors. eta vs tors. theta energy: -73.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -894.832420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.832420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.832420 (E_RNA) where: Base-Base interactions energy: -593.432 where: short stacking energy: -273.501 Base-Backbone interact. energy: -2.114 local terms energy: -299.285530 where: bonds (distance) C4'-P energy: -58.975 bonds (distance) P-C4' energy: -63.897 flat angles C4'-P-C4' energy: -66.512 flat angles P-C4'-P energy: -31.835 tors. eta vs tors. theta energy: -78.066 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: 9 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -774.651964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.651964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.651964 (E_RNA) where: Base-Base interactions energy: -487.381 where: short stacking energy: -220.513 Base-Backbone interact. energy: -0.111 local terms energy: -287.160218 where: bonds (distance) C4'-P energy: -60.675 bonds (distance) P-C4' energy: -55.839 flat angles C4'-P-C4' energy: -70.372 flat angles P-C4'-P energy: -52.847 tors. eta vs tors. theta energy: -47.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -659.303571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.303571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.303571 (E_RNA) where: Base-Base interactions energy: -421.342 where: short stacking energy: -172.200 Base-Backbone interact. energy: -0.253 local terms energy: -237.708347 where: bonds (distance) C4'-P energy: -48.046 bonds (distance) P-C4' energy: -47.942 flat angles C4'-P-C4' energy: -61.699 flat angles P-C4'-P energy: -38.450 tors. eta vs tors. theta energy: -41.572 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: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -567.687738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.687738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.687738 (E_RNA) where: Base-Base interactions energy: -349.066 where: short stacking energy: -164.922 Base-Backbone interact. energy: -2.001 local terms energy: -216.620791 where: bonds (distance) C4'-P energy: -52.869 bonds (distance) P-C4' energy: -61.389 flat angles C4'-P-C4' energy: -41.807 flat angles P-C4'-P energy: -24.667 tors. eta vs tors. theta energy: -35.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -609.278136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.278136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.278136 (E_RNA) where: Base-Base interactions energy: -370.948 where: short stacking energy: -166.972 Base-Backbone interact. energy: -0.229 local terms energy: -238.101054 where: bonds (distance) C4'-P energy: -61.800 bonds (distance) P-C4' energy: -54.461 flat angles C4'-P-C4' energy: -55.305 flat angles P-C4'-P energy: -38.018 tors. eta vs tors. theta energy: -28.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -267.380998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.380998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.380998 (E_RNA) where: Base-Base interactions energy: -95.056 where: short stacking energy: -78.076 Base-Backbone interact. energy: -0.101 local terms energy: -172.224407 where: bonds (distance) C4'-P energy: -54.851 bonds (distance) P-C4' energy: -54.079 flat angles C4'-P-C4' energy: -51.977 flat angles P-C4'-P energy: -16.520 tors. eta vs tors. theta energy: 5.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -1153.634583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.634583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.634583 (E_RNA) where: Base-Base interactions energy: -799.339 where: short stacking energy: -334.262 Base-Backbone interact. energy: -1.438 local terms energy: -352.858389 where: bonds (distance) C4'-P energy: -69.302 bonds (distance) P-C4' energy: -66.958 flat angles C4'-P-C4' energy: -72.700 flat angles P-C4'-P energy: -41.479 tors. eta vs tors. theta energy: -102.420 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: 155 Temperature: 0.950000 Total energy: -1074.330996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.330996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.330996 (E_RNA) where: Base-Base interactions energy: -743.989 where: short stacking energy: -314.889 Base-Backbone interact. energy: -2.492 local terms energy: -327.850810 where: bonds (distance) C4'-P energy: -61.212 bonds (distance) P-C4' energy: -74.006 flat angles C4'-P-C4' energy: -61.185 flat angles P-C4'-P energy: -42.507 tors. eta vs tors. theta energy: -88.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -1009.656228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.656228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.656228 (E_RNA) where: Base-Base interactions energy: -693.809 where: short stacking energy: -287.704 Base-Backbone interact. energy: 0.464 local terms energy: -316.311261 where: bonds (distance) C4'-P energy: -64.246 bonds (distance) P-C4' energy: -63.301 flat angles C4'-P-C4' energy: -70.322 flat angles P-C4'-P energy: -44.594 tors. eta vs tors. theta energy: -73.848 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: 3 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -954.770818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.770818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.770818 (E_RNA) where: Base-Base interactions energy: -667.579 where: short stacking energy: -269.307 Base-Backbone interact. energy: 0.359 local terms energy: -287.550410 where: bonds (distance) C4'-P energy: -66.030 bonds (distance) P-C4' energy: -54.208 flat angles C4'-P-C4' energy: -63.532 flat angles P-C4'-P energy: -31.623 tors. eta vs tors. theta energy: -72.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -887.065395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.065395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.065395 (E_RNA) where: Base-Base interactions energy: -587.235 where: short stacking energy: -255.428 Base-Backbone interact. energy: -2.764 local terms energy: -297.066858 where: bonds (distance) C4'-P energy: -57.344 bonds (distance) P-C4' energy: -58.181 flat angles C4'-P-C4' energy: -67.493 flat angles P-C4'-P energy: -45.116 tors. eta vs tors. theta energy: -68.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -783.996929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.996929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.996929 (E_RNA) where: Base-Base interactions energy: -514.586 where: short stacking energy: -217.430 Base-Backbone interact. energy: -0.001 local terms energy: -269.409309 where: bonds (distance) C4'-P energy: -63.118 bonds (distance) P-C4' energy: -55.409 flat angles C4'-P-C4' energy: -58.115 flat angles P-C4'-P energy: -38.658 tors. eta vs tors. theta energy: -54.109 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: 10 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -726.934966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.934966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.934966 (E_RNA) where: Base-Base interactions energy: -487.213 where: short stacking energy: -204.941 Base-Backbone interact. energy: -1.319 local terms energy: -238.403163 where: bonds (distance) C4'-P energy: -58.681 bonds (distance) P-C4' energy: -42.703 flat angles C4'-P-C4' energy: -59.623 flat angles P-C4'-P energy: -34.533 tors. eta vs tors. theta energy: -42.863 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: 155 Temperature: 1.250000 Total energy: -555.743408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.743408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.743408 (E_RNA) where: Base-Base interactions energy: -336.548 where: short stacking energy: -141.232 Base-Backbone interact. energy: 2.470 local terms energy: -221.665552 where: bonds (distance) C4'-P energy: -56.357 bonds (distance) P-C4' energy: -59.052 flat angles C4'-P-C4' energy: -57.858 flat angles P-C4'-P energy: -32.966 tors. eta vs tors. theta energy: -15.433 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: 5 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -545.676510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.676510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.676510 (E_RNA) where: Base-Base interactions energy: -349.857 where: short stacking energy: -163.291 Base-Backbone interact. energy: -1.436 local terms energy: -194.384075 where: bonds (distance) C4'-P energy: -52.618 bonds (distance) P-C4' energy: -49.620 flat angles C4'-P-C4' energy: -42.596 flat angles P-C4'-P energy: -31.459 tors. eta vs tors. theta energy: -18.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -283.112572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.112572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.112572 (E_RNA) where: Base-Base interactions energy: -109.752 where: short stacking energy: -95.184 Base-Backbone interact. energy: 0.159 local terms energy: -173.519428 where: bonds (distance) C4'-P energy: -50.722 bonds (distance) P-C4' energy: -46.950 flat angles C4'-P-C4' energy: -50.358 flat angles P-C4'-P energy: -25.651 tors. eta vs tors. theta energy: 0.161 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: 1, replica: 8 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -1171.354054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.354054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.354054 (E_RNA) where: Base-Base interactions energy: -817.504 where: short stacking energy: -350.078 Base-Backbone interact. energy: -1.910 local terms energy: -351.940312 where: bonds (distance) C4'-P energy: -66.631 bonds (distance) P-C4' energy: -68.131 flat angles C4'-P-C4' energy: -70.656 flat angles P-C4'-P energy: -51.553 tors. eta vs tors. theta energy: -94.970 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: 1 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -1083.654863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.654863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.654863 (E_RNA) where: Base-Base interactions energy: -737.231 where: short stacking energy: -316.883 Base-Backbone interact. energy: -2.570 local terms energy: -343.853261 where: bonds (distance) C4'-P energy: -66.568 bonds (distance) P-C4' energy: -66.734 flat angles C4'-P-C4' energy: -72.182 flat angles P-C4'-P energy: -46.159 tors. eta vs tors. theta energy: -92.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -996.823677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.823677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.823677 (E_RNA) where: Base-Base interactions energy: -688.277 where: short stacking energy: -282.158 Base-Backbone interact. energy: -0.105 local terms energy: -308.440872 where: bonds (distance) C4'-P energy: -49.121 bonds (distance) P-C4' energy: -59.074 flat angles C4'-P-C4' energy: -66.351 flat angles P-C4'-P energy: -56.388 tors. eta vs tors. theta energy: -77.508 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: 4, replica: 2 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -936.882928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.882928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.882928 (E_RNA) where: Base-Base interactions energy: -634.345 where: short stacking energy: -277.184 Base-Backbone interact. energy: -0.062 local terms energy: -302.475792 where: bonds (distance) C4'-P energy: -65.286 bonds (distance) P-C4' energy: -44.321 flat angles C4'-P-C4' energy: -68.439 flat angles P-C4'-P energy: -52.474 tors. eta vs tors. theta energy: -71.956 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: 6 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -934.144453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.144453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.144453 (E_RNA) where: Base-Base interactions energy: -617.733 where: short stacking energy: -283.604 Base-Backbone interact. energy: -0.928 local terms energy: -315.483512 where: bonds (distance) C4'-P energy: -67.426 bonds (distance) P-C4' energy: -65.451 flat angles C4'-P-C4' energy: -70.414 flat angles P-C4'-P energy: -28.113 tors. eta vs tors. theta energy: -84.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -803.337339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.337339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.337339 (E_RNA) where: Base-Base interactions energy: -534.352 where: short stacking energy: -221.429 Base-Backbone interact. energy: 0.097 local terms energy: -269.082976 where: bonds (distance) C4'-P energy: -58.361 bonds (distance) P-C4' energy: -63.304 flat angles C4'-P-C4' energy: -55.471 flat angles P-C4'-P energy: -46.455 tors. eta vs tors. theta energy: -45.493 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: 10 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -706.224557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.224557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.224557 (E_RNA) where: Base-Base interactions energy: -460.369 where: short stacking energy: -190.072 Base-Backbone interact. energy: 0.097 local terms energy: -245.952120 where: bonds (distance) C4'-P energy: -44.323 bonds (distance) P-C4' energy: -49.985 flat angles C4'-P-C4' energy: -66.999 flat angles P-C4'-P energy: -43.858 tors. eta vs tors. theta energy: -40.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -604.260855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -604.260855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -604.260855 (E_RNA) where: Base-Base interactions energy: -365.851 where: short stacking energy: -168.445 Base-Backbone interact. energy: -2.545 local terms energy: -235.865520 where: bonds (distance) C4'-P energy: -46.317 bonds (distance) P-C4' energy: -59.117 flat angles C4'-P-C4' energy: -56.385 flat angles P-C4'-P energy: -41.544 tors. eta vs tors. theta energy: -32.501 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: 5 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -562.244054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.244054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.244054 (E_RNA) where: Base-Base interactions energy: -334.772 where: short stacking energy: -155.930 Base-Backbone interact. energy: -1.423 local terms energy: -226.049358 where: bonds (distance) C4'-P energy: -45.001 bonds (distance) P-C4' energy: -62.710 flat angles C4'-P-C4' energy: -50.586 flat angles P-C4'-P energy: -39.765 tors. eta vs tors. theta energy: -27.986 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: 10, replica: 4 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -288.164376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -288.164376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -288.164376 (E_RNA) where: Base-Base interactions energy: -107.665 where: short stacking energy: -88.910 Base-Backbone interact. energy: 1.615 local terms energy: -182.113789 where: bonds (distance) C4'-P energy: -54.988 bonds (distance) P-C4' energy: -65.671 flat angles C4'-P-C4' energy: -61.085 flat angles P-C4'-P energy: -11.748 tors. eta vs tors. theta energy: 11.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -1162.622064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.622064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.622064 (E_RNA) where: Base-Base interactions energy: -801.564 where: short stacking energy: -332.062 Base-Backbone interact. energy: -2.012 local terms energy: -359.045679 where: bonds (distance) C4'-P energy: -73.464 bonds (distance) P-C4' energy: -64.590 flat angles C4'-P-C4' energy: -77.069 flat angles P-C4'-P energy: -46.947 tors. eta vs tors. theta energy: -96.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -1094.387443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.387443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.387443 (E_RNA) where: Base-Base interactions energy: -743.231 where: short stacking energy: -309.419 Base-Backbone interact. energy: 1.494 local terms energy: -352.650877 where: bonds (distance) C4'-P energy: -63.512 bonds (distance) P-C4' energy: -69.682 flat angles C4'-P-C4' energy: -77.176 flat angles P-C4'-P energy: -50.491 tors. eta vs tors. theta energy: -91.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -1015.163848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.163848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.163848 (E_RNA) where: Base-Base interactions energy: -681.732 where: short stacking energy: -292.385 Base-Backbone interact. energy: -1.476 local terms energy: -331.955502 where: bonds (distance) C4'-P energy: -68.776 bonds (distance) P-C4' energy: -54.715 flat angles C4'-P-C4' energy: -69.114 flat angles P-C4'-P energy: -50.536 tors. eta vs tors. theta energy: -88.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -914.196107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.196107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.196107 (E_RNA) where: Base-Base interactions energy: -605.411 where: short stacking energy: -281.327 Base-Backbone interact. energy: -0.918 local terms energy: -307.867211 where: bonds (distance) C4'-P energy: -55.878 bonds (distance) P-C4' energy: -64.516 flat angles C4'-P-C4' energy: -62.992 flat angles P-C4'-P energy: -41.382 tors. eta vs tors. theta energy: -83.100 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: 2 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -939.072945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.072945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.072945 (E_RNA) where: Base-Base interactions energy: -665.441 where: short stacking energy: -249.949 Base-Backbone interact. energy: -4.165 local terms energy: -269.466937 where: bonds (distance) C4'-P energy: -54.102 bonds (distance) P-C4' energy: -53.597 flat angles C4'-P-C4' energy: -59.810 flat angles P-C4'-P energy: -38.265 tors. eta vs tors. theta energy: -63.693 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: 157 Temperature: 1.150000 Total energy: -812.543453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.543453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.543453 (E_RNA) where: Base-Base interactions energy: -520.763 where: short stacking energy: -225.543 Base-Backbone interact. energy: 0.857 local terms energy: -292.637105 where: bonds (distance) C4'-P energy: -53.684 bonds (distance) P-C4' energy: -63.885 flat angles C4'-P-C4' energy: -68.227 flat angles P-C4'-P energy: -48.457 tors. eta vs tors. theta energy: -58.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -721.218781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.218781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.218781 (E_RNA) where: Base-Base interactions energy: -453.589 where: short stacking energy: -194.883 Base-Backbone interact. energy: 0.701 local terms energy: -268.330881 where: bonds (distance) C4'-P energy: -56.629 bonds (distance) P-C4' energy: -72.272 flat angles C4'-P-C4' energy: -64.224 flat angles P-C4'-P energy: -36.406 tors. eta vs tors. theta energy: -38.800 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: 5 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -565.184219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.184219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.184219 (E_RNA) where: Base-Base interactions energy: -328.306 where: short stacking energy: -158.496 Base-Backbone interact. energy: -0.397 local terms energy: -236.481067 where: bonds (distance) C4'-P energy: -54.284 bonds (distance) P-C4' energy: -55.502 flat angles C4'-P-C4' energy: -60.920 flat angles P-C4'-P energy: -49.375 tors. eta vs tors. theta energy: -16.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -591.507668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.507668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.507668 (E_RNA) where: Base-Base interactions energy: -379.815 where: short stacking energy: -181.118 Base-Backbone interact. energy: 2.933 local terms energy: -214.625157 where: bonds (distance) C4'-P energy: -54.358 bonds (distance) P-C4' energy: -57.625 flat angles C4'-P-C4' energy: -44.143 flat angles P-C4'-P energy: -27.636 tors. eta vs tors. theta energy: -30.864 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: 4 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -308.466047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -308.466047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -308.466047 (E_RNA) where: Base-Base interactions energy: -89.695 where: short stacking energy: -79.026 Base-Backbone interact. energy: -1.269 local terms energy: -217.502347 where: bonds (distance) C4'-P energy: -62.448 bonds (distance) P-C4' energy: -67.204 flat angles C4'-P-C4' energy: -54.001 flat angles P-C4'-P energy: -33.541 tors. eta vs tors. theta energy: -0.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -1144.915525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.915525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.915525 (E_RNA) where: Base-Base interactions energy: -795.269 where: short stacking energy: -327.332 Base-Backbone interact. energy: -1.500 local terms energy: -348.146653 where: bonds (distance) C4'-P energy: -67.740 bonds (distance) P-C4' energy: -63.089 flat angles C4'-P-C4' energy: -73.263 flat angles P-C4'-P energy: -45.693 tors. eta vs tors. theta energy: -98.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -1070.407655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.407655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.407655 (E_RNA) where: Base-Base interactions energy: -725.748 where: short stacking energy: -301.759 Base-Backbone interact. energy: -2.169 local terms energy: -342.490294 where: bonds (distance) C4'-P energy: -64.306 bonds (distance) P-C4' energy: -69.492 flat angles C4'-P-C4' energy: -75.246 flat angles P-C4'-P energy: -45.690 tors. eta vs tors. theta energy: -87.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -990.304542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.304542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.304542 (E_RNA) where: Base-Base interactions energy: -673.824 where: short stacking energy: -254.801 Base-Backbone interact. energy: 4.628 local terms energy: -321.108378 where: bonds (distance) C4'-P energy: -64.138 bonds (distance) P-C4' energy: -65.318 flat angles C4'-P-C4' energy: -72.519 flat angles P-C4'-P energy: -46.317 tors. eta vs tors. theta energy: -72.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -908.198935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.198935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.198935 (E_RNA) where: Base-Base interactions energy: -601.310 where: short stacking energy: -279.848 Base-Backbone interact. energy: -0.556 local terms energy: -306.332654 where: bonds (distance) C4'-P energy: -53.656 bonds (distance) P-C4' energy: -62.604 flat angles C4'-P-C4' energy: -65.257 flat angles P-C4'-P energy: -46.247 tors. eta vs tors. theta energy: -78.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -921.655784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.655784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.655784 (E_RNA) where: Base-Base interactions energy: -639.345 where: short stacking energy: -246.541 Base-Backbone interact. energy: 0.834 local terms energy: -283.144670 where: bonds (distance) C4'-P energy: -56.415 bonds (distance) P-C4' energy: -51.976 flat angles C4'-P-C4' energy: -68.900 flat angles P-C4'-P energy: -38.704 tors. eta vs tors. theta energy: -67.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -785.366582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.366582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.366582 (E_RNA) where: Base-Base interactions energy: -505.774 where: short stacking energy: -225.387 Base-Backbone interact. energy: -2.810 local terms energy: -276.782192 where: bonds (distance) C4'-P energy: -53.494 bonds (distance) P-C4' energy: -59.170 flat angles C4'-P-C4' energy: -65.649 flat angles P-C4'-P energy: -43.726 tors. eta vs tors. theta energy: -54.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -729.969660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.969660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.969660 (E_RNA) where: Base-Base interactions energy: -467.769 where: short stacking energy: -190.706 Base-Backbone interact. energy: -0.628 local terms energy: -261.571890 where: bonds (distance) C4'-P energy: -44.978 bonds (distance) P-C4' energy: -61.312 flat angles C4'-P-C4' energy: -67.822 flat angles P-C4'-P energy: -43.281 tors. eta vs tors. theta energy: -44.178 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: 5 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -629.205339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.205339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.205339 (E_RNA) where: Base-Base interactions energy: -402.073 where: short stacking energy: -178.213 Base-Backbone interact. energy: 0.205 local terms energy: -227.337660 where: bonds (distance) C4'-P energy: -64.627 bonds (distance) P-C4' energy: -48.337 flat angles C4'-P-C4' energy: -47.456 flat angles P-C4'-P energy: -29.921 tors. eta vs tors. theta energy: -36.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -542.770569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.770569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.770569 (E_RNA) where: Base-Base interactions energy: -350.197 where: short stacking energy: -160.014 Base-Backbone interact. energy: -0.897 local terms energy: -191.676171 where: bonds (distance) C4'-P energy: -52.673 bonds (distance) P-C4' energy: -56.753 flat angles C4'-P-C4' energy: -43.605 flat angles P-C4'-P energy: -20.246 tors. eta vs tors. theta energy: -18.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -264.001949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.001949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.001949 (E_RNA) where: Base-Base interactions energy: -101.492 where: short stacking energy: -81.842 Base-Backbone interact. energy: -0.783 local terms energy: -161.726896 where: bonds (distance) C4'-P energy: -54.508 bonds (distance) P-C4' energy: -55.601 flat angles C4'-P-C4' energy: -43.465 flat angles P-C4'-P energy: -13.737 tors. eta vs tors. theta energy: 5.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -1167.564663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.564663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.564663 (E_RNA) where: Base-Base interactions energy: -811.448 where: short stacking energy: -344.932 Base-Backbone interact. energy: 0.203 local terms energy: -356.320040 where: bonds (distance) C4'-P energy: -72.318 bonds (distance) P-C4' energy: -53.887 flat angles C4'-P-C4' energy: -76.613 flat angles P-C4'-P energy: -51.961 tors. eta vs tors. theta energy: -101.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -1060.306421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.306421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.306421 (E_RNA) where: Base-Base interactions energy: -730.060 where: short stacking energy: -280.315 Base-Backbone interact. energy: -3.267 local terms energy: -326.978560 where: bonds (distance) C4'-P energy: -65.713 bonds (distance) P-C4' energy: -70.128 flat angles C4'-P-C4' energy: -66.502 flat angles P-C4'-P energy: -50.736 tors. eta vs tors. theta energy: -73.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -997.970175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.970175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.970175 (E_RNA) where: Base-Base interactions energy: -692.800 where: short stacking energy: -280.056 Base-Backbone interact. energy: -1.407 local terms energy: -303.763996 where: bonds (distance) C4'-P energy: -63.846 bonds (distance) P-C4' energy: -59.292 flat angles C4'-P-C4' energy: -65.316 flat angles P-C4'-P energy: -40.613 tors. eta vs tors. theta energy: -74.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -944.558780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.558780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.558780 (E_RNA) where: Base-Base interactions energy: -637.384 where: short stacking energy: -300.103 Base-Backbone interact. energy: -1.513 local terms energy: -305.661771 where: bonds (distance) C4'-P energy: -62.292 bonds (distance) P-C4' energy: -63.807 flat angles C4'-P-C4' energy: -52.854 flat angles P-C4'-P energy: -42.566 tors. eta vs tors. theta energy: -84.141 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: 2 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -918.140218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.140218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.140218 (E_RNA) where: Base-Base interactions energy: -633.353 where: short stacking energy: -254.326 Base-Backbone interact. energy: -4.226 local terms energy: -280.560690 where: bonds (distance) C4'-P energy: -61.785 bonds (distance) P-C4' energy: -47.290 flat angles C4'-P-C4' energy: -66.272 flat angles P-C4'-P energy: -40.801 tors. eta vs tors. theta energy: -64.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -779.634249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.634249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.634249 (E_RNA) where: Base-Base interactions energy: -532.134 where: short stacking energy: -222.085 Base-Backbone interact. energy: -1.036 local terms energy: -246.464607 where: bonds (distance) C4'-P energy: -62.307 bonds (distance) P-C4' energy: -59.282 flat angles C4'-P-C4' energy: -52.192 flat angles P-C4'-P energy: -33.207 tors. eta vs tors. theta energy: -39.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -749.053146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.053146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.053146 (E_RNA) where: Base-Base interactions energy: -502.114 where: short stacking energy: -209.678 Base-Backbone interact. energy: -0.735 local terms energy: -246.204182 where: bonds (distance) C4'-P energy: -51.376 bonds (distance) P-C4' energy: -54.897 flat angles C4'-P-C4' energy: -51.480 flat angles P-C4'-P energy: -43.711 tors. eta vs tors. theta energy: -44.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -608.793008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.793008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.793008 (E_RNA) where: Base-Base interactions energy: -363.191 where: short stacking energy: -173.416 Base-Backbone interact. energy: -0.450 local terms energy: -245.152488 where: bonds (distance) C4'-P energy: -63.755 bonds (distance) P-C4' energy: -58.795 flat angles C4'-P-C4' energy: -58.366 flat angles P-C4'-P energy: -34.796 tors. eta vs tors. theta energy: -29.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -574.022458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.022458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.022458 (E_RNA) where: Base-Base interactions energy: -329.148 where: short stacking energy: -163.357 Base-Backbone interact. energy: 1.380 local terms energy: -246.254035 where: bonds (distance) C4'-P energy: -64.962 bonds (distance) P-C4' energy: -55.976 flat angles C4'-P-C4' energy: -57.529 flat angles P-C4'-P energy: -38.589 tors. eta vs tors. theta energy: -29.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -281.717991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.717991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.717991 (E_RNA) where: Base-Base interactions energy: -117.355 where: short stacking energy: -90.231 Base-Backbone interact. energy: -0.159 local terms energy: -164.204096 where: bonds (distance) C4'-P energy: -57.553 bonds (distance) P-C4' energy: -52.589 flat angles C4'-P-C4' energy: -47.555 flat angles P-C4'-P energy: -22.173 tors. eta vs tors. theta energy: 15.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -1126.285816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.285816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.285816 (E_RNA) where: Base-Base interactions energy: -767.498 where: short stacking energy: -320.924 Base-Backbone interact. energy: -4.228 local terms energy: -354.559932 where: bonds (distance) C4'-P energy: -61.567 bonds (distance) P-C4' energy: -70.853 flat angles C4'-P-C4' energy: -70.077 flat angles P-C4'-P energy: -50.203 tors. eta vs tors. theta energy: -101.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -1061.225164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.225164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.225164 (E_RNA) where: Base-Base interactions energy: -716.746 where: short stacking energy: -294.988 Base-Backbone interact. energy: -1.631 local terms energy: -342.848073 where: bonds (distance) C4'-P energy: -66.874 bonds (distance) P-C4' energy: -72.871 flat angles C4'-P-C4' energy: -70.333 flat angles P-C4'-P energy: -50.149 tors. eta vs tors. theta energy: -82.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -987.819659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.819659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.819659 (E_RNA) where: Base-Base interactions energy: -665.349 where: short stacking energy: -278.201 Base-Backbone interact. energy: -2.301 local terms energy: -320.169351 where: bonds (distance) C4'-P energy: -57.023 bonds (distance) P-C4' energy: -61.287 flat angles C4'-P-C4' energy: -71.036 flat angles P-C4'-P energy: -49.164 tors. eta vs tors. theta energy: -81.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -944.171138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.171138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.171138 (E_RNA) where: Base-Base interactions energy: -635.758 where: short stacking energy: -276.144 Base-Backbone interact. energy: 0.637 local terms energy: -309.049526 where: bonds (distance) C4'-P energy: -60.657 bonds (distance) P-C4' energy: -60.294 flat angles C4'-P-C4' energy: -59.227 flat angles P-C4'-P energy: -52.906 tors. eta vs tors. theta energy: -75.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -904.916991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.916991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.916991 (E_RNA) where: Base-Base interactions energy: -609.453 where: short stacking energy: -245.749 Base-Backbone interact. energy: -3.245 local terms energy: -292.218927 where: bonds (distance) C4'-P energy: -51.160 bonds (distance) P-C4' energy: -60.308 flat angles C4'-P-C4' energy: -62.274 flat angles P-C4'-P energy: -47.481 tors. eta vs tors. theta energy: -70.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -797.791103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.791103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.791103 (E_RNA) where: Base-Base interactions energy: -512.589 where: short stacking energy: -207.410 Base-Backbone interact. energy: -0.135 local terms energy: -285.067017 where: bonds (distance) C4'-P energy: -63.816 bonds (distance) P-C4' energy: -58.233 flat angles C4'-P-C4' energy: -66.310 flat angles P-C4'-P energy: -41.894 tors. eta vs tors. theta energy: -54.814 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: 9 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -745.124180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.124180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.124180 (E_RNA) where: Base-Base interactions energy: -483.556 where: short stacking energy: -203.251 Base-Backbone interact. energy: -1.253 local terms energy: -260.315845 where: bonds (distance) C4'-P energy: -57.444 bonds (distance) P-C4' energy: -56.480 flat angles C4'-P-C4' energy: -60.719 flat angles P-C4'-P energy: -41.443 tors. eta vs tors. theta energy: -44.230 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: 7 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -595.139792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.139792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.139792 (E_RNA) where: Base-Base interactions energy: -355.819 where: short stacking energy: -163.360 Base-Backbone interact. energy: -2.141 local terms energy: -237.180232 where: bonds (distance) C4'-P energy: -67.364 bonds (distance) P-C4' energy: -51.108 flat angles C4'-P-C4' energy: -51.360 flat angles P-C4'-P energy: -33.213 tors. eta vs tors. theta energy: -34.135 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: 9, replica: 5 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -613.614874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.614874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.614874 (E_RNA) where: Base-Base interactions energy: -396.362 where: short stacking energy: -178.480 Base-Backbone interact. energy: 0.063 local terms energy: -217.316073 where: bonds (distance) C4'-P energy: -50.772 bonds (distance) P-C4' energy: -54.065 flat angles C4'-P-C4' energy: -52.140 flat angles P-C4'-P energy: -24.729 tors. eta vs tors. theta energy: -35.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -269.480993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.480993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.480993 (E_RNA) where: Base-Base interactions energy: -96.479 where: short stacking energy: -68.021 Base-Backbone interact. energy: 0.760 local terms energy: -173.761732 where: bonds (distance) C4'-P energy: -52.968 bonds (distance) P-C4' energy: -58.102 flat angles C4'-P-C4' energy: -52.193 flat angles P-C4'-P energy: -32.508 tors. eta vs tors. theta energy: 22.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -1152.089097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.089097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.089097 (E_RNA) where: Base-Base interactions energy: -802.338 where: short stacking energy: -345.269 Base-Backbone interact. energy: -1.309 local terms energy: -348.442591 where: bonds (distance) C4'-P energy: -62.440 bonds (distance) P-C4' energy: -74.177 flat angles C4'-P-C4' energy: -64.632 flat angles P-C4'-P energy: -47.695 tors. eta vs tors. theta energy: -99.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -1066.807970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.807970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.807970 (E_RNA) where: Base-Base interactions energy: -750.535 where: short stacking energy: -303.705 Base-Backbone interact. energy: -1.377 local terms energy: -314.895707 where: bonds (distance) C4'-P energy: -61.935 bonds (distance) P-C4' energy: -63.474 flat angles C4'-P-C4' energy: -65.130 flat angles P-C4'-P energy: -38.041 tors. eta vs tors. theta energy: -86.316 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: 3 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -1002.446944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.446944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.446944 (E_RNA) where: Base-Base interactions energy: -676.029 where: short stacking energy: -283.221 Base-Backbone interact. energy: 0.176 local terms energy: -326.594176 where: bonds (distance) C4'-P energy: -63.172 bonds (distance) P-C4' energy: -65.912 flat angles C4'-P-C4' energy: -73.388 flat angles P-C4'-P energy: -51.109 tors. eta vs tors. theta energy: -73.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -954.890333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.890333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.890333 (E_RNA) where: Base-Base interactions energy: -644.065 where: short stacking energy: -286.193 Base-Backbone interact. energy: 0.846 local terms energy: -311.670482 where: bonds (distance) C4'-P energy: -60.285 bonds (distance) P-C4' energy: -62.845 flat angles C4'-P-C4' energy: -68.165 flat angles P-C4'-P energy: -35.659 tors. eta vs tors. theta energy: -84.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -946.032325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.032325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.032325 (E_RNA) where: Base-Base interactions energy: -637.358 where: short stacking energy: -237.788 Base-Backbone interact. energy: -3.916 local terms energy: -304.758158 where: bonds (distance) C4'-P energy: -59.071 bonds (distance) P-C4' energy: -64.091 flat angles C4'-P-C4' energy: -63.033 flat angles P-C4'-P energy: -48.834 tors. eta vs tors. theta energy: -69.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -813.009249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.009249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.009249 (E_RNA) where: Base-Base interactions energy: -552.386 where: short stacking energy: -229.381 Base-Backbone interact. energy: -0.927 local terms energy: -259.696778 where: bonds (distance) C4'-P energy: -51.855 bonds (distance) P-C4' energy: -49.866 flat angles C4'-P-C4' energy: -65.572 flat angles P-C4'-P energy: -38.060 tors. eta vs tors. theta energy: -54.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -732.906050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.906050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.906050 (E_RNA) where: Base-Base interactions energy: -466.968 where: short stacking energy: -211.305 Base-Backbone interact. energy: -3.350 local terms energy: -262.588109 where: bonds (distance) C4'-P energy: -53.833 bonds (distance) P-C4' energy: -56.228 flat angles C4'-P-C4' energy: -63.081 flat angles P-C4'-P energy: -44.339 tors. eta vs tors. theta energy: -45.108 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: 8, replica: 7 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -633.580260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.580260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.580260 (E_RNA) where: Base-Base interactions energy: -401.053 where: short stacking energy: -191.513 Base-Backbone interact. energy: -1.315 local terms energy: -231.211796 where: bonds (distance) C4'-P energy: -43.824 bonds (distance) P-C4' energy: -61.629 flat angles C4'-P-C4' energy: -58.365 flat angles P-C4'-P energy: -30.914 tors. eta vs tors. theta energy: -36.479 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: 5 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -545.205064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.205064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.205064 (E_RNA) where: Base-Base interactions energy: -346.164 where: short stacking energy: -146.813 Base-Backbone interact. energy: -2.783 local terms energy: -196.257598 where: bonds (distance) C4'-P energy: -51.003 bonds (distance) P-C4' energy: -49.823 flat angles C4'-P-C4' energy: -57.572 flat angles P-C4'-P energy: -20.035 tors. eta vs tors. theta energy: -17.825 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -278.949732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.949732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.949732 (E_RNA) where: Base-Base interactions energy: -107.012 where: short stacking energy: -87.403 Base-Backbone interact. energy: 1.963 local terms energy: -173.900669 where: bonds (distance) C4'-P energy: -56.139 bonds (distance) P-C4' energy: -54.891 flat angles C4'-P-C4' energy: -45.494 flat angles P-C4'-P energy: -20.316 tors. eta vs tors. theta energy: 2.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -1166.274224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.274224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.274224 (E_RNA) where: Base-Base interactions energy: -816.963 where: short stacking energy: -346.888 Base-Backbone interact. energy: -0.603 local terms energy: -348.708232 where: bonds (distance) C4'-P energy: -62.011 bonds (distance) P-C4' energy: -67.858 flat angles C4'-P-C4' energy: -70.666 flat angles P-C4'-P energy: -48.220 tors. eta vs tors. theta energy: -99.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -1067.117572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.117572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.117572 (E_RNA) where: Base-Base interactions energy: -734.561 where: short stacking energy: -294.687 Base-Backbone interact. energy: -3.350 local terms energy: -329.206543 where: bonds (distance) C4'-P energy: -70.065 bonds (distance) P-C4' energy: -65.781 flat angles C4'-P-C4' energy: -68.874 flat angles P-C4'-P energy: -40.369 tors. eta vs tors. theta energy: -84.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -1009.310811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.310811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.310811 (E_RNA) where: Base-Base interactions energy: -679.098 where: short stacking energy: -298.407 Base-Backbone interact. energy: -0.645 local terms energy: -329.567058 where: bonds (distance) C4'-P energy: -58.634 bonds (distance) P-C4' energy: -69.246 flat angles C4'-P-C4' energy: -78.274 flat angles P-C4'-P energy: -40.201 tors. eta vs tors. theta energy: -83.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -940.299913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -940.299913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -940.299913 (E_RNA) where: Base-Base interactions energy: -640.561 where: short stacking energy: -289.710 Base-Backbone interact. energy: -0.766 local terms energy: -298.973329 where: bonds (distance) C4'-P energy: -61.345 bonds (distance) P-C4' energy: -72.046 flat angles C4'-P-C4' energy: -57.906 flat angles P-C4'-P energy: -31.391 tors. eta vs tors. theta energy: -76.285 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: 2 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -955.456332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.456332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.456332 (E_RNA) where: Base-Base interactions energy: -655.878 where: short stacking energy: -260.342 Base-Backbone interact. energy: -1.650 local terms energy: -297.928395 where: bonds (distance) C4'-P energy: -51.398 bonds (distance) P-C4' energy: -58.783 flat angles C4'-P-C4' energy: -73.501 flat angles P-C4'-P energy: -40.252 tors. eta vs tors. theta energy: -73.994 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: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -808.551478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.551478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.551478 (E_RNA) where: Base-Base interactions energy: -538.175 where: short stacking energy: -223.419 Base-Backbone interact. energy: -2.918 local terms energy: -267.458270 where: bonds (distance) C4'-P energy: -59.325 bonds (distance) P-C4' energy: -58.361 flat angles C4'-P-C4' energy: -60.516 flat angles P-C4'-P energy: -40.994 tors. eta vs tors. theta energy: -48.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -714.491870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.491870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.491870 (E_RNA) where: Base-Base interactions energy: -466.232 where: short stacking energy: -181.557 Base-Backbone interact. energy: -2.164 local terms energy: -246.096169 where: bonds (distance) C4'-P energy: -56.703 bonds (distance) P-C4' energy: -68.377 flat angles C4'-P-C4' energy: -58.059 flat angles P-C4'-P energy: -30.067 tors. eta vs tors. theta energy: -32.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -608.102574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.102574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.102574 (E_RNA) where: Base-Base interactions energy: -367.830 where: short stacking energy: -158.496 Base-Backbone interact. energy: 0.307 local terms energy: -240.579779 where: bonds (distance) C4'-P energy: -63.383 bonds (distance) P-C4' energy: -57.354 flat angles C4'-P-C4' energy: -63.066 flat angles P-C4'-P energy: -34.853 tors. eta vs tors. theta energy: -21.923 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: 162 Temperature: 1.300000 Total energy: -521.549658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.549658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.549658 (E_RNA) where: Base-Base interactions energy: -312.828 where: short stacking energy: -145.042 Base-Backbone interact. energy: -2.330 local terms energy: -206.391015 where: bonds (distance) C4'-P energy: -37.048 bonds (distance) P-C4' energy: -53.968 flat angles C4'-P-C4' energy: -51.631 flat angles P-C4'-P energy: -33.704 tors. eta vs tors. theta energy: -30.040 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: 4 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -325.514609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -325.514609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -325.514609 (E_RNA) where: Base-Base interactions energy: -140.246 where: short stacking energy: -111.700 Base-Backbone interact. energy: -1.359 local terms energy: -183.909441 where: bonds (distance) C4'-P energy: -57.696 bonds (distance) P-C4' energy: -41.110 flat angles C4'-P-C4' energy: -47.143 flat angles P-C4'-P energy: -36.792 tors. eta vs tors. theta energy: -1.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -1163.884121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.884121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.884121 (E_RNA) where: Base-Base interactions energy: -797.192 where: short stacking energy: -346.166 Base-Backbone interact. energy: -2.750 local terms energy: -363.942596 where: bonds (distance) C4'-P energy: -71.125 bonds (distance) P-C4' energy: -67.033 flat angles C4'-P-C4' energy: -72.504 flat angles P-C4'-P energy: -56.816 tors. eta vs tors. theta energy: -96.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -1061.633195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.633195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.633195 (E_RNA) where: Base-Base interactions energy: -728.088 where: short stacking energy: -288.841 Base-Backbone interact. energy: -2.830 local terms energy: -330.715325 where: bonds (distance) C4'-P energy: -47.722 bonds (distance) P-C4' energy: -73.985 flat angles C4'-P-C4' energy: -69.393 flat angles P-C4'-P energy: -55.880 tors. eta vs tors. theta energy: -83.736 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: 163 Temperature: 1.000000 Total energy: -1011.891424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.891424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.891424 (E_RNA) where: Base-Base interactions energy: -675.555 where: short stacking energy: -286.564 Base-Backbone interact. energy: 0.357 local terms energy: -336.693088 where: bonds (distance) C4'-P energy: -70.307 bonds (distance) P-C4' energy: -68.112 flat angles C4'-P-C4' energy: -74.898 flat angles P-C4'-P energy: -45.067 tors. eta vs tors. theta energy: -78.310 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: 4, replica: 2 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -938.630732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.630732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.630732 (E_RNA) where: Base-Base interactions energy: -639.011 where: short stacking energy: -266.007 Base-Backbone interact. energy: -2.514 local terms energy: -297.106002 where: bonds (distance) C4'-P energy: -62.261 bonds (distance) P-C4' energy: -64.342 flat angles C4'-P-C4' energy: -66.749 flat angles P-C4'-P energy: -38.990 tors. eta vs tors. theta energy: -64.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -905.563134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.563134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.563134 (E_RNA) where: Base-Base interactions energy: -607.070 where: short stacking energy: -269.693 Base-Backbone interact. energy: 2.562 local terms energy: -301.054706 where: bonds (distance) C4'-P energy: -59.301 bonds (distance) P-C4' energy: -61.371 flat angles C4'-P-C4' energy: -73.632 flat angles P-C4'-P energy: -36.341 tors. eta vs tors. theta energy: -70.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -764.509911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.509911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.509911 (E_RNA) where: Base-Base interactions energy: -505.581 where: short stacking energy: -203.619 Base-Backbone interact. energy: 3.257 local terms energy: -262.186329 where: bonds (distance) C4'-P energy: -59.742 bonds (distance) P-C4' energy: -59.120 flat angles C4'-P-C4' energy: -66.100 flat angles P-C4'-P energy: -37.839 tors. eta vs tors. theta energy: -39.386 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: 9 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -754.736240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.736240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.736240 (E_RNA) where: Base-Base interactions energy: -485.268 where: short stacking energy: -197.476 Base-Backbone interact. energy: -0.725 local terms energy: -268.742971 where: bonds (distance) C4'-P energy: -57.822 bonds (distance) P-C4' energy: -60.699 flat angles C4'-P-C4' energy: -59.660 flat angles P-C4'-P energy: -44.239 tors. eta vs tors. theta energy: -46.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -587.922752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.922752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.922752 (E_RNA) where: Base-Base interactions energy: -364.597 where: short stacking energy: -173.007 Base-Backbone interact. energy: 0.495 local terms energy: -223.821136 where: bonds (distance) C4'-P energy: -49.581 bonds (distance) P-C4' energy: -48.741 flat angles C4'-P-C4' energy: -59.078 flat angles P-C4'-P energy: -35.955 tors. eta vs tors. theta energy: -30.466 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: 9, replica: 5 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -509.137757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.137757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.137757 (E_RNA) where: Base-Base interactions energy: -308.342 where: short stacking energy: -142.654 Base-Backbone interact. energy: -2.497 local terms energy: -198.298224 where: bonds (distance) C4'-P energy: -49.823 bonds (distance) P-C4' energy: -49.813 flat angles C4'-P-C4' energy: -49.673 flat angles P-C4'-P energy: -33.451 tors. eta vs tors. theta energy: -15.538 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: 10, replica: 4 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -270.406710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.406710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.406710 (E_RNA) where: Base-Base interactions energy: -90.430 where: short stacking energy: -54.104 Base-Backbone interact. energy: -1.422 local terms energy: -178.554248 where: bonds (distance) C4'-P energy: -50.030 bonds (distance) P-C4' energy: -72.538 flat angles C4'-P-C4' energy: -47.572 flat angles P-C4'-P energy: -21.528 tors. eta vs tors. theta energy: 13.114 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: 8 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -1154.100217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.100217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.100217 (E_RNA) where: Base-Base interactions energy: -805.960 where: short stacking energy: -336.970 Base-Backbone interact. energy: -1.718 local terms energy: -346.421764 where: bonds (distance) C4'-P energy: -60.618 bonds (distance) P-C4' energy: -64.218 flat angles C4'-P-C4' energy: -75.113 flat angles P-C4'-P energy: -51.196 tors. eta vs tors. theta energy: -95.277 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: 1 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -1064.956115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.956115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.956115 (E_RNA) where: Base-Base interactions energy: -736.169 where: short stacking energy: -303.869 Base-Backbone interact. energy: 5.569 local terms energy: -334.356860 where: bonds (distance) C4'-P energy: -65.887 bonds (distance) P-C4' energy: -64.375 flat angles C4'-P-C4' energy: -66.053 flat angles P-C4'-P energy: -49.542 tors. eta vs tors. theta energy: -88.500 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: 3 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -1002.644981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.644981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.644981 (E_RNA) where: Base-Base interactions energy: -679.311 where: short stacking energy: -281.122 Base-Backbone interact. energy: 0.665 local terms energy: -323.998150 where: bonds (distance) C4'-P energy: -66.908 bonds (distance) P-C4' energy: -65.134 flat angles C4'-P-C4' energy: -76.759 flat angles P-C4'-P energy: -45.247 tors. eta vs tors. theta energy: -69.950 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: 2 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -960.761126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.761126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.761126 (E_RNA) where: Base-Base interactions energy: -651.905 where: short stacking energy: -284.902 Base-Backbone interact. energy: -3.684 local terms energy: -305.172765 where: bonds (distance) C4'-P energy: -53.511 bonds (distance) P-C4' energy: -66.405 flat angles C4'-P-C4' energy: -72.321 flat angles P-C4'-P energy: -41.238 tors. eta vs tors. theta energy: -71.698 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: 6 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -898.638725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.638725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.638725 (E_RNA) where: Base-Base interactions energy: -583.094 where: short stacking energy: -267.468 Base-Backbone interact. energy: -0.023 local terms energy: -315.521419 where: bonds (distance) C4'-P energy: -56.427 bonds (distance) P-C4' energy: -60.077 flat angles C4'-P-C4' energy: -71.744 flat angles P-C4'-P energy: -48.692 tors. eta vs tors. theta energy: -78.582 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: 6, replica: 10 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -777.426095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.426095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.426095 (E_RNA) where: Base-Base interactions energy: -504.618 where: short stacking energy: -209.605 Base-Backbone interact. energy: 0.320 local terms energy: -273.128310 where: bonds (distance) C4'-P energy: -55.309 bonds (distance) P-C4' energy: -67.028 flat angles C4'-P-C4' energy: -59.363 flat angles P-C4'-P energy: -43.210 tors. eta vs tors. theta energy: -48.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -738.107315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.107315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.107315 (E_RNA) where: Base-Base interactions energy: -478.118 where: short stacking energy: -209.763 Base-Backbone interact. energy: -1.585 local terms energy: -258.404477 where: bonds (distance) C4'-P energy: -48.081 bonds (distance) P-C4' energy: -60.944 flat angles C4'-P-C4' energy: -60.146 flat angles P-C4'-P energy: -42.692 tors. eta vs tors. theta energy: -46.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -594.092191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.092191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.092191 (E_RNA) where: Base-Base interactions energy: -353.910 where: short stacking energy: -170.224 Base-Backbone interact. energy: 1.386 local terms energy: -241.567984 where: bonds (distance) C4'-P energy: -58.244 bonds (distance) P-C4' energy: -55.207 flat angles C4'-P-C4' energy: -56.358 flat angles P-C4'-P energy: -39.211 tors. eta vs tors. theta energy: -32.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -574.440485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -574.440485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -574.440485 (E_RNA) where: Base-Base interactions energy: -363.164 where: short stacking energy: -160.191 Base-Backbone interact. energy: -2.397 local terms energy: -208.879416 where: bonds (distance) C4'-P energy: -50.950 bonds (distance) P-C4' energy: -57.320 flat angles C4'-P-C4' energy: -52.437 flat angles P-C4'-P energy: -26.471 tors. eta vs tors. theta energy: -21.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -277.741848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -277.741848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -277.741848 (E_RNA) where: Base-Base interactions energy: -107.210 where: short stacking energy: -76.473 Base-Backbone interact. energy: 0.015 local terms energy: -170.546988 where: bonds (distance) C4'-P energy: -49.114 bonds (distance) P-C4' energy: -56.758 flat angles C4'-P-C4' energy: -49.698 flat angles P-C4'-P energy: -32.549 tors. eta vs tors. theta energy: 17.571 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: 8 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -1154.250821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.250821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.250821 (E_RNA) where: Base-Base interactions energy: -799.331 where: short stacking energy: -344.925 Base-Backbone interact. energy: 0.044 local terms energy: -354.962981 where: bonds (distance) C4'-P energy: -65.846 bonds (distance) P-C4' energy: -67.946 flat angles C4'-P-C4' energy: -67.224 flat angles P-C4'-P energy: -54.918 tors. eta vs tors. theta energy: -99.029 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: 2, replica: 1 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -1086.651468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.651468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.651468 (E_RNA) where: Base-Base interactions energy: -755.241 where: short stacking energy: -297.141 Base-Backbone interact. energy: -2.639 local terms energy: -328.771764 where: bonds (distance) C4'-P energy: -65.194 bonds (distance) P-C4' energy: -60.275 flat angles C4'-P-C4' energy: -76.232 flat angles P-C4'-P energy: -44.727 tors. eta vs tors. theta energy: -82.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -981.878251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.878251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.878251 (E_RNA) where: Base-Base interactions energy: -672.059 where: short stacking energy: -292.069 Base-Backbone interact. energy: -2.621 local terms energy: -307.198912 where: bonds (distance) C4'-P energy: -58.621 bonds (distance) P-C4' energy: -63.060 flat angles C4'-P-C4' energy: -69.049 flat angles P-C4'-P energy: -39.875 tors. eta vs tors. theta energy: -76.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -883.709178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.709178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.709178 (E_RNA) where: Base-Base interactions energy: -563.771 where: short stacking energy: -274.223 Base-Backbone interact. energy: -0.819 local terms energy: -319.118991 where: bonds (distance) C4'-P energy: -71.819 bonds (distance) P-C4' energy: -60.462 flat angles C4'-P-C4' energy: -56.491 flat angles P-C4'-P energy: -44.569 tors. eta vs tors. theta energy: -85.777 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: 2 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -891.924887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.924887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.924887 (E_RNA) where: Base-Base interactions energy: -604.451 where: short stacking energy: -248.245 Base-Backbone interact. energy: -3.021 local terms energy: -284.452791 where: bonds (distance) C4'-P energy: -49.648 bonds (distance) P-C4' energy: -60.541 flat angles C4'-P-C4' energy: -69.568 flat angles P-C4'-P energy: -46.778 tors. eta vs tors. theta energy: -57.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 165 Temperature: 1.150000 Total energy: -737.831882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.831882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.831882 (E_RNA) where: Base-Base interactions energy: -468.839 where: short stacking energy: -206.763 Base-Backbone interact. energy: -4.835 local terms energy: -264.157690 where: bonds (distance) C4'-P energy: -56.297 bonds (distance) P-C4' energy: -49.958 flat angles C4'-P-C4' energy: -55.122 flat angles P-C4'-P energy: -50.226 tors. eta vs tors. theta energy: -52.555 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: 165 Temperature: 1.200000 Total energy: -800.686313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.686313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.686313 (E_RNA) where: Base-Base interactions energy: -536.481 where: short stacking energy: -240.765 Base-Backbone interact. energy: -0.324 local terms energy: -263.881327 where: bonds (distance) C4'-P energy: -57.622 bonds (distance) P-C4' energy: -44.273 flat angles C4'-P-C4' energy: -60.275 flat angles P-C4'-P energy: -41.471 tors. eta vs tors. theta energy: -60.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -589.887755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.887755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.887755 (E_RNA) where: Base-Base interactions energy: -361.319 where: short stacking energy: -153.889 Base-Backbone interact. energy: -2.028 local terms energy: -226.540649 where: bonds (distance) C4'-P energy: -53.126 bonds (distance) P-C4' energy: -59.001 flat angles C4'-P-C4' energy: -59.825 flat angles P-C4'-P energy: -24.580 tors. eta vs tors. theta energy: -30.010 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: 5 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -588.655294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.655294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.655294 (E_RNA) where: Base-Base interactions energy: -354.433 where: short stacking energy: -169.288 Base-Backbone interact. energy: -1.955 local terms energy: -232.267792 where: bonds (distance) C4'-P energy: -55.434 bonds (distance) P-C4' energy: -59.000 flat angles C4'-P-C4' energy: -61.576 flat angles P-C4'-P energy: -34.184 tors. eta vs tors. theta energy: -22.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -272.368671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -272.368671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -272.368671 (E_RNA) where: Base-Base interactions energy: -109.314 where: short stacking energy: -80.921 Base-Backbone interact. energy: -1.152 local terms energy: -161.902670 where: bonds (distance) C4'-P energy: -53.980 bonds (distance) P-C4' energy: -53.452 flat angles C4'-P-C4' energy: -39.077 flat angles P-C4'-P energy: -26.520 tors. eta vs tors. theta energy: 11.125 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: 8 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -1154.918764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.918764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.918764 (E_RNA) where: Base-Base interactions energy: -797.088 where: short stacking energy: -323.866 Base-Backbone interact. energy: -1.370 local terms energy: -356.460565 where: bonds (distance) C4'-P energy: -75.366 bonds (distance) P-C4' energy: -61.467 flat angles C4'-P-C4' energy: -73.326 flat angles P-C4'-P energy: -54.456 tors. eta vs tors. theta energy: -91.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -1082.301775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.301775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.301775 (E_RNA) where: Base-Base interactions energy: -764.342 where: short stacking energy: -309.162 Base-Backbone interact. energy: -6.726 local terms energy: -311.233374 where: bonds (distance) C4'-P energy: -61.452 bonds (distance) P-C4' energy: -57.610 flat angles C4'-P-C4' energy: -74.563 flat angles P-C4'-P energy: -42.792 tors. eta vs tors. theta energy: -74.816 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: 6 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -930.140526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.140526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.140526 (E_RNA) where: Base-Base interactions energy: -611.532 where: short stacking energy: -286.353 Base-Backbone interact. energy: 0.535 local terms energy: -319.143375 where: bonds (distance) C4'-P energy: -60.286 bonds (distance) P-C4' energy: -69.746 flat angles C4'-P-C4' energy: -62.366 flat angles P-C4'-P energy: -48.715 tors. eta vs tors. theta energy: -78.030 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: 166 Temperature: 1.050000 Total energy: -950.916359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.916359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.916359 (E_RNA) where: Base-Base interactions energy: -653.906 where: short stacking energy: -273.363 Base-Backbone interact. energy: 1.196 local terms energy: -298.206099 where: bonds (distance) C4'-P energy: -57.933 bonds (distance) P-C4' energy: -69.143 flat angles C4'-P-C4' energy: -63.814 flat angles P-C4'-P energy: -40.179 tors. eta vs tors. theta energy: -67.137 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: 5, replica: 2 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -883.223956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.223956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.223956 (E_RNA) where: Base-Base interactions energy: -606.414 where: short stacking energy: -238.499 Base-Backbone interact. energy: 0.679 local terms energy: -277.489086 where: bonds (distance) C4'-P energy: -52.451 bonds (distance) P-C4' energy: -49.935 flat angles C4'-P-C4' energy: -65.229 flat angles P-C4'-P energy: -45.612 tors. eta vs tors. theta energy: -64.262 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: 10 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -769.743484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.743484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.743484 (E_RNA) where: Base-Base interactions energy: -514.328 where: short stacking energy: -204.524 Base-Backbone interact. energy: -1.751 local terms energy: -253.665277 where: bonds (distance) C4'-P energy: -59.645 bonds (distance) P-C4' energy: -57.023 flat angles C4'-P-C4' energy: -54.391 flat angles P-C4'-P energy: -37.399 tors. eta vs tors. theta energy: -45.207 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: 9 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -723.321714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -723.321714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -723.321714 (E_RNA) where: Base-Base interactions energy: -464.720 where: short stacking energy: -224.493 Base-Backbone interact. energy: -2.922 local terms energy: -255.680318 where: bonds (distance) C4'-P energy: -55.697 bonds (distance) P-C4' energy: -56.739 flat angles C4'-P-C4' energy: -57.441 flat angles P-C4'-P energy: -44.264 tors. eta vs tors. theta energy: -41.539 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: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -625.832803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.832803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.832803 (E_RNA) where: Base-Base interactions energy: -388.139 where: short stacking energy: -179.581 Base-Backbone interact. energy: -1.836 local terms energy: -235.857228 where: bonds (distance) C4'-P energy: -40.635 bonds (distance) P-C4' energy: -55.347 flat angles C4'-P-C4' energy: -62.766 flat angles P-C4'-P energy: -36.231 tors. eta vs tors. theta energy: -40.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -639.321272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.321272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.321272 (E_RNA) where: Base-Base interactions energy: -416.441 where: short stacking energy: -194.714 Base-Backbone interact. energy: 0.066 local terms energy: -222.947113 where: bonds (distance) C4'-P energy: -50.036 bonds (distance) P-C4' energy: -51.580 flat angles C4'-P-C4' energy: -60.812 flat angles P-C4'-P energy: -26.650 tors. eta vs tors. theta energy: -33.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -263.716653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -263.716653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -263.716653 (E_RNA) where: Base-Base interactions energy: -79.965 where: short stacking energy: -62.308 Base-Backbone interact. energy: 2.274 local terms energy: -186.025707 where: bonds (distance) C4'-P energy: -45.122 bonds (distance) P-C4' energy: -55.208 flat angles C4'-P-C4' energy: -54.674 flat angles P-C4'-P energy: -31.864 tors. eta vs tors. theta energy: 0.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -1151.473479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.473479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.473479 (E_RNA) where: Base-Base interactions energy: -794.454 where: short stacking energy: -337.330 Base-Backbone interact. energy: -4.516 local terms energy: -352.503561 where: bonds (distance) C4'-P energy: -60.462 bonds (distance) P-C4' energy: -66.896 flat angles C4'-P-C4' energy: -82.110 flat angles P-C4'-P energy: -47.349 tors. eta vs tors. theta energy: -95.687 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: 1 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -1077.705042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.705042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.705042 (E_RNA) where: Base-Base interactions energy: -735.631 where: short stacking energy: -287.284 Base-Backbone interact. energy: -2.296 local terms energy: -339.777749 where: bonds (distance) C4'-P energy: -62.338 bonds (distance) P-C4' energy: -70.078 flat angles C4'-P-C4' energy: -68.683 flat angles P-C4'-P energy: -53.292 tors. eta vs tors. theta energy: -85.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -946.833643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.833643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.833643 (E_RNA) where: Base-Base interactions energy: -615.011 where: short stacking energy: -288.848 Base-Backbone interact. energy: -1.344 local terms energy: -330.478343 where: bonds (distance) C4'-P energy: -63.946 bonds (distance) P-C4' energy: -59.850 flat angles C4'-P-C4' energy: -74.087 flat angles P-C4'-P energy: -46.385 tors. eta vs tors. theta energy: -86.210 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: 3 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -924.478010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.478010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.478010 (E_RNA) where: Base-Base interactions energy: -616.440 where: short stacking energy: -252.066 Base-Backbone interact. energy: -1.474 local terms energy: -306.563951 where: bonds (distance) C4'-P energy: -58.382 bonds (distance) P-C4' energy: -63.004 flat angles C4'-P-C4' energy: -62.237 flat angles P-C4'-P energy: -53.890 tors. eta vs tors. theta energy: -69.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -883.452159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.452159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.452159 (E_RNA) where: Base-Base interactions energy: -594.660 where: short stacking energy: -243.744 Base-Backbone interact. energy: -1.978 local terms energy: -286.814557 where: bonds (distance) C4'-P energy: -50.849 bonds (distance) P-C4' energy: -69.483 flat angles C4'-P-C4' energy: -68.050 flat angles P-C4'-P energy: -37.610 tors. eta vs tors. theta energy: -60.822 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: 6, replica: 9 ===================================== Write number: 167 Temperature: 1.150000 Total energy: -804.641270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.641270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.641270 (E_RNA) where: Base-Base interactions energy: -546.407 where: short stacking energy: -219.424 Base-Backbone interact. energy: -3.545 local terms energy: -254.689083 where: bonds (distance) C4'-P energy: -62.586 bonds (distance) P-C4' energy: -50.970 flat angles C4'-P-C4' energy: -62.732 flat angles P-C4'-P energy: -30.126 tors. eta vs tors. theta energy: -48.275 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: 10 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -767.618804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.618804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.618804 (E_RNA) where: Base-Base interactions energy: -498.338 where: short stacking energy: -201.187 Base-Backbone interact. energy: -0.603 local terms energy: -268.678625 where: bonds (distance) C4'-P energy: -59.564 bonds (distance) P-C4' energy: -60.348 flat angles C4'-P-C4' energy: -58.732 flat angles P-C4'-P energy: -31.874 tors. eta vs tors. theta energy: -58.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -639.519920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.519920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.519920 (E_RNA) where: Base-Base interactions energy: -404.648 where: short stacking energy: -199.831 Base-Backbone interact. energy: -1.714 local terms energy: -233.157622 where: bonds (distance) C4'-P energy: -50.008 bonds (distance) P-C4' energy: -60.458 flat angles C4'-P-C4' energy: -52.518 flat angles P-C4'-P energy: -27.592 tors. eta vs tors. theta energy: -42.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -581.041591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.041591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.041591 (E_RNA) where: Base-Base interactions energy: -349.386 where: short stacking energy: -161.006 Base-Backbone interact. energy: 2.349 local terms energy: -234.005245 where: bonds (distance) C4'-P energy: -50.556 bonds (distance) P-C4' energy: -71.285 flat angles C4'-P-C4' energy: -48.171 flat angles P-C4'-P energy: -36.670 tors. eta vs tors. theta energy: -27.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -284.049715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -284.049715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -284.049715 (E_RNA) where: Base-Base interactions energy: -105.258 where: short stacking energy: -78.537 Base-Backbone interact. energy: 0.057 local terms energy: -178.848989 where: bonds (distance) C4'-P energy: -53.427 bonds (distance) P-C4' energy: -59.090 flat angles C4'-P-C4' energy: -40.484 flat angles P-C4'-P energy: -27.740 tors. eta vs tors. theta energy: 1.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -1148.025951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.025951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.025951 (E_RNA) where: Base-Base interactions energy: -790.789 where: short stacking energy: -324.008 Base-Backbone interact. energy: -2.615 local terms energy: -354.621930 where: bonds (distance) C4'-P energy: -69.902 bonds (distance) P-C4' energy: -65.924 flat angles C4'-P-C4' energy: -70.215 flat angles P-C4'-P energy: -54.729 tors. eta vs tors. theta energy: -93.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -1082.208295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.208295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.208295 (E_RNA) where: Base-Base interactions energy: -752.581 where: short stacking energy: -303.380 Base-Backbone interact. energy: -3.303 local terms energy: -326.323796 where: bonds (distance) C4'-P energy: -60.204 bonds (distance) P-C4' energy: -61.315 flat angles C4'-P-C4' energy: -67.814 flat angles P-C4'-P energy: -49.497 tors. eta vs tors. theta energy: -87.493 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: 3, replica: 6 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -958.920138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.920138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.920138 (E_RNA) where: Base-Base interactions energy: -616.961 where: short stacking energy: -307.744 Base-Backbone interact. energy: 0.311 local terms energy: -342.270451 where: bonds (distance) C4'-P energy: -58.696 bonds (distance) P-C4' energy: -60.729 flat angles C4'-P-C4' energy: -80.098 flat angles P-C4'-P energy: -49.302 tors. eta vs tors. theta energy: -93.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -962.643309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.643309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.643309 (E_RNA) where: Base-Base interactions energy: -643.031 where: short stacking energy: -256.844 Base-Backbone interact. energy: -0.504 local terms energy: -319.108399 where: bonds (distance) C4'-P energy: -64.740 bonds (distance) P-C4' energy: -62.557 flat angles C4'-P-C4' energy: -71.383 flat angles P-C4'-P energy: -54.680 tors. eta vs tors. theta energy: -65.748 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: 5, replica: 2 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -884.131273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.131273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.131273 (E_RNA) where: Base-Base interactions energy: -574.589 where: short stacking energy: -234.712 Base-Backbone interact. energy: -3.991 local terms energy: -305.550689 where: bonds (distance) C4'-P energy: -58.118 bonds (distance) P-C4' energy: -65.638 flat angles C4'-P-C4' energy: -73.203 flat angles P-C4'-P energy: -40.047 tors. eta vs tors. theta energy: -68.545 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: 6, replica: 9 ===================================== Write number: 168 Temperature: 1.150000 Total energy: -828.686064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.686064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.686064 (E_RNA) where: Base-Base interactions energy: -537.291 where: short stacking energy: -224.526 Base-Backbone interact. energy: -1.516 local terms energy: -289.878853 where: bonds (distance) C4'-P energy: -63.760 bonds (distance) P-C4' energy: -48.995 flat angles C4'-P-C4' energy: -74.108 flat angles P-C4'-P energy: -40.986 tors. eta vs tors. theta energy: -62.030 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: 7, replica: 5 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -648.561855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.561855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.561855 (E_RNA) where: Base-Base interactions energy: -409.459 where: short stacking energy: -192.489 Base-Backbone interact. energy: -0.776 local terms energy: -238.326868 where: bonds (distance) C4'-P energy: -56.219 bonds (distance) P-C4' energy: -62.540 flat angles C4'-P-C4' energy: -46.886 flat angles P-C4'-P energy: -41.943 tors. eta vs tors. theta energy: -30.740 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: 10 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -697.684469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.684469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.684469 (E_RNA) where: Base-Base interactions energy: -454.520 where: short stacking energy: -185.382 Base-Backbone interact. energy: -2.030 local terms energy: -241.133750 where: bonds (distance) C4'-P energy: -57.862 bonds (distance) P-C4' energy: -53.477 flat angles C4'-P-C4' energy: -59.707 flat angles P-C4'-P energy: -35.200 tors. eta vs tors. theta energy: -34.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -523.766455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.766455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.766455 (E_RNA) where: Base-Base interactions energy: -309.330 where: short stacking energy: -132.826 Base-Backbone interact. energy: 1.471 local terms energy: -215.907702 where: bonds (distance) C4'-P energy: -63.521 bonds (distance) P-C4' energy: -56.182 flat angles C4'-P-C4' energy: -56.466 flat angles P-C4'-P energy: -31.719 tors. eta vs tors. theta energy: -8.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -282.565334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.565334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.565334 (E_RNA) where: Base-Base interactions energy: -114.934 where: short stacking energy: -76.652 Base-Backbone interact. energy: 0.448 local terms energy: -168.080005 where: bonds (distance) C4'-P energy: -56.834 bonds (distance) P-C4' energy: -53.499 flat angles C4'-P-C4' energy: -36.972 flat angles P-C4'-P energy: -28.321 tors. eta vs tors. theta energy: 7.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -1140.875229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.875229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.875229 (E_RNA) where: Base-Base interactions energy: -776.071 where: short stacking energy: -331.137 Base-Backbone interact. energy: -1.427 local terms energy: -363.377547 where: bonds (distance) C4'-P energy: -68.095 bonds (distance) P-C4' energy: -71.972 flat angles C4'-P-C4' energy: -76.481 flat angles P-C4'-P energy: -49.597 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: 2, replica: 1 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -1079.894611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.894611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.894611 (E_RNA) where: Base-Base interactions energy: -747.791 where: short stacking energy: -304.562 Base-Backbone interact. energy: -2.603 local terms energy: -329.500853 where: bonds (distance) C4'-P energy: -61.461 bonds (distance) P-C4' energy: -73.222 flat angles C4'-P-C4' energy: -63.728 flat angles P-C4'-P energy: -53.983 tors. eta vs tors. theta energy: -77.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -972.996662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.996662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.996662 (E_RNA) where: Base-Base interactions energy: -640.476 where: short stacking energy: -312.942 Base-Backbone interact. energy: -0.962 local terms energy: -331.558990 where: bonds (distance) C4'-P energy: -56.175 bonds (distance) P-C4' energy: -59.223 flat angles C4'-P-C4' energy: -72.266 flat angles P-C4'-P energy: -51.124 tors. eta vs tors. theta energy: -92.771 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: 2 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -919.564063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.564063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.564063 (E_RNA) where: Base-Base interactions energy: -642.873 where: short stacking energy: -241.525 Base-Backbone interact. energy: -1.421 local terms energy: -275.270166 where: bonds (distance) C4'-P energy: -58.049 bonds (distance) P-C4' energy: -52.665 flat angles C4'-P-C4' energy: -61.481 flat angles P-C4'-P energy: -39.241 tors. eta vs tors. theta energy: -63.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -953.487590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -953.487590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -953.487590 (E_RNA) where: Base-Base interactions energy: -647.448 where: short stacking energy: -263.786 Base-Backbone interact. energy: -2.474 local terms energy: -303.565812 where: bonds (distance) C4'-P energy: -61.460 bonds (distance) P-C4' energy: -60.994 flat angles C4'-P-C4' energy: -75.173 flat angles P-C4'-P energy: -40.345 tors. eta vs tors. theta energy: -65.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -835.205853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.205853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.205853 (E_RNA) where: Base-Base interactions energy: -559.040 where: short stacking energy: -240.066 Base-Backbone interact. energy: 1.218 local terms energy: -277.384292 where: bonds (distance) C4'-P energy: -50.869 bonds (distance) P-C4' energy: -64.997 flat angles C4'-P-C4' energy: -59.731 flat angles P-C4'-P energy: -43.751 tors. eta vs tors. theta energy: -58.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -646.352854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.352854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.352854 (E_RNA) where: Base-Base interactions energy: -397.016 where: short stacking energy: -190.382 Base-Backbone interact. energy: -1.174 local terms energy: -248.162865 where: bonds (distance) C4'-P energy: -47.059 bonds (distance) P-C4' energy: -65.945 flat angles C4'-P-C4' energy: -64.333 flat angles P-C4'-P energy: -42.766 tors. eta vs tors. theta energy: -28.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -754.540196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.540196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.540196 (E_RNA) where: Base-Base interactions energy: -479.360 where: short stacking energy: -200.495 Base-Backbone interact. energy: -0.122 local terms energy: -275.058240 where: bonds (distance) C4'-P energy: -61.023 bonds (distance) P-C4' energy: -62.472 flat angles C4'-P-C4' energy: -61.448 flat angles P-C4'-P energy: -41.332 tors. eta vs tors. theta energy: -48.784 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: 7 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -553.692806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.692806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.692806 (E_RNA) where: Base-Base interactions energy: -334.993 where: short stacking energy: -159.572 Base-Backbone interact. energy: -0.174 local terms energy: -218.526124 where: bonds (distance) C4'-P energy: -53.444 bonds (distance) P-C4' energy: -58.319 flat angles C4'-P-C4' energy: -53.537 flat angles P-C4'-P energy: -31.715 tors. eta vs tors. theta energy: -21.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -276.224666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.224666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.224666 (E_RNA) where: Base-Base interactions energy: -116.229 where: short stacking energy: -86.277 Base-Backbone interact. energy: 0.145 local terms energy: -160.140920 where: bonds (distance) C4'-P energy: -57.083 bonds (distance) P-C4' energy: -50.569 flat angles C4'-P-C4' energy: -36.561 flat angles P-C4'-P energy: -21.820 tors. eta vs tors. theta energy: 5.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -1137.028220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.028220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.028220 (E_RNA) where: Base-Base interactions energy: -772.631 where: short stacking energy: -344.730 Base-Backbone interact. energy: -2.801 local terms energy: -361.595521 where: bonds (distance) C4'-P energy: -63.791 bonds (distance) P-C4' energy: -69.481 flat angles C4'-P-C4' energy: -74.653 flat angles P-C4'-P energy: -46.904 tors. eta vs tors. theta energy: -106.767 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: 1 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -1117.774588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.774588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.774588 (E_RNA) where: Base-Base interactions energy: -779.703 where: short stacking energy: -303.911 Base-Backbone interact. energy: -3.702 local terms energy: -334.369301 where: bonds (distance) C4'-P energy: -63.417 bonds (distance) P-C4' energy: -66.992 flat angles C4'-P-C4' energy: -72.201 flat angles P-C4'-P energy: -48.671 tors. eta vs tors. theta energy: -83.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -963.962885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.962885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.962885 (E_RNA) where: Base-Base interactions energy: -628.325 where: short stacking energy: -303.987 Base-Backbone interact. energy: 0.342 local terms energy: -335.979416 where: bonds (distance) C4'-P energy: -56.001 bonds (distance) P-C4' energy: -71.453 flat angles C4'-P-C4' energy: -73.734 flat angles P-C4'-P energy: -53.105 tors. eta vs tors. theta energy: -81.687 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: 2 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -952.742430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.742430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.742430 (E_RNA) where: Base-Base interactions energy: -646.232 where: short stacking energy: -256.763 Base-Backbone interact. energy: -2.439 local terms energy: -304.071474 where: bonds (distance) C4'-P energy: -69.324 bonds (distance) P-C4' energy: -67.753 flat angles C4'-P-C4' energy: -62.970 flat angles P-C4'-P energy: -43.993 tors. eta vs tors. theta energy: -60.031 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: 3 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -915.802757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.802757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.802757 (E_RNA) where: Base-Base interactions energy: -623.053 where: short stacking energy: -256.044 Base-Backbone interact. energy: -0.208 local terms energy: -292.541930 where: bonds (distance) C4'-P energy: -57.660 bonds (distance) P-C4' energy: -56.450 flat angles C4'-P-C4' energy: -63.145 flat angles P-C4'-P energy: -42.439 tors. eta vs tors. theta energy: -72.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -769.585337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.585337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.585337 (E_RNA) where: Base-Base interactions energy: -504.888 where: short stacking energy: -218.688 Base-Backbone interact. energy: 4.038 local terms energy: -268.735508 where: bonds (distance) C4'-P energy: -53.771 bonds (distance) P-C4' energy: -64.991 flat angles C4'-P-C4' energy: -60.736 flat angles P-C4'-P energy: -37.364 tors. eta vs tors. theta energy: -51.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 170 Temperature: 1.200000 Total energy: -775.019202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.019202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.019202 (E_RNA) where: Base-Base interactions energy: -518.808 where: short stacking energy: -217.925 Base-Backbone interact. energy: -3.093 local terms energy: -253.118275 where: bonds (distance) C4'-P energy: -53.767 bonds (distance) P-C4' energy: -59.552 flat angles C4'-P-C4' energy: -52.661 flat angles P-C4'-P energy: -32.462 tors. eta vs tors. theta energy: -54.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -613.155474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.155474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.155474 (E_RNA) where: Base-Base interactions energy: -394.117 where: short stacking energy: -193.983 Base-Backbone interact. energy: 7.560 local terms energy: -226.598515 where: bonds (distance) C4'-P energy: -57.764 bonds (distance) P-C4' energy: -55.608 flat angles C4'-P-C4' energy: -48.382 flat angles P-C4'-P energy: -36.443 tors. eta vs tors. theta energy: -28.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -539.866234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.866234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.866234 (E_RNA) where: Base-Base interactions energy: -331.982 where: short stacking energy: -165.423 Base-Backbone interact. energy: 0.183 local terms energy: -208.066841 where: bonds (distance) C4'-P energy: -46.098 bonds (distance) P-C4' energy: -58.800 flat angles C4'-P-C4' energy: -38.473 flat angles P-C4'-P energy: -40.330 tors. eta vs tors. theta energy: -24.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -301.185349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -301.185349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -301.185349 (E_RNA) where: Base-Base interactions energy: -112.618 where: short stacking energy: -79.367 Base-Backbone interact. energy: -0.115 local terms energy: -188.452278 where: bonds (distance) C4'-P energy: -47.150 bonds (distance) P-C4' energy: -59.675 flat angles C4'-P-C4' energy: -55.657 flat angles P-C4'-P energy: -34.673 tors. eta vs tors. theta energy: 8.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -1119.202351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.202351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.202351 (E_RNA) where: Base-Base interactions energy: -771.742 where: short stacking energy: -332.012 Base-Backbone interact. energy: -0.638 local terms energy: -346.822454 where: bonds (distance) C4'-P energy: -68.146 bonds (distance) P-C4' energy: -69.127 flat angles C4'-P-C4' energy: -67.056 flat angles P-C4'-P energy: -48.999 tors. eta vs tors. theta energy: -93.494 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: 1 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -1125.982068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.982068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.982068 (E_RNA) where: Base-Base interactions energy: -777.382 where: short stacking energy: -297.969 Base-Backbone interact. energy: -3.122 local terms energy: -345.478834 where: bonds (distance) C4'-P energy: -64.700 bonds (distance) P-C4' energy: -68.871 flat angles C4'-P-C4' energy: -81.988 flat angles P-C4'-P energy: -44.912 tors. eta vs tors. theta energy: -85.008 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: 6 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -955.233135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.233135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.233135 (E_RNA) where: Base-Base interactions energy: -629.001 where: short stacking energy: -309.608 Base-Backbone interact. energy: -2.055 local terms energy: -324.176391 where: bonds (distance) C4'-P energy: -65.425 bonds (distance) P-C4' energy: -54.462 flat angles C4'-P-C4' energy: -65.081 flat angles P-C4'-P energy: -50.139 tors. eta vs tors. theta energy: -89.069 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: 171 Temperature: 1.050000 Total energy: -920.266782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.266782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.266782 (E_RNA) where: Base-Base interactions energy: -614.492 where: short stacking energy: -264.842 Base-Backbone interact. energy: 0.529 local terms energy: -306.304416 where: bonds (distance) C4'-P energy: -61.090 bonds (distance) P-C4' energy: -60.953 flat angles C4'-P-C4' energy: -70.684 flat angles P-C4'-P energy: -36.318 tors. eta vs tors. theta energy: -77.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -894.266895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -894.266895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -894.266895 (E_RNA) where: Base-Base interactions energy: -593.708 where: short stacking energy: -227.676 Base-Backbone interact. energy: -0.965 local terms energy: -299.593647 where: bonds (distance) C4'-P energy: -64.146 bonds (distance) P-C4' energy: -64.824 flat angles C4'-P-C4' energy: -60.509 flat angles P-C4'-P energy: -45.298 tors. eta vs tors. theta energy: -64.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -799.137594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.137594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.137594 (E_RNA) where: Base-Base interactions energy: -521.779 where: short stacking energy: -211.656 Base-Backbone interact. energy: -2.690 local terms energy: -274.667742 where: bonds (distance) C4'-P energy: -56.668 bonds (distance) P-C4' energy: -61.623 flat angles C4'-P-C4' energy: -69.618 flat angles P-C4'-P energy: -26.948 tors. eta vs tors. theta energy: -59.810 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: 171 Temperature: 1.200000 Total energy: -730.988991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.988991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.988991 (E_RNA) where: Base-Base interactions energy: -457.422 where: short stacking energy: -200.256 Base-Backbone interact. energy: -2.434 local terms energy: -271.133198 where: bonds (distance) C4'-P energy: -63.429 bonds (distance) P-C4' energy: -62.430 flat angles C4'-P-C4' energy: -61.075 flat angles P-C4'-P energy: -35.817 tors. eta vs tors. theta energy: -48.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -570.124750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.124750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.124750 (E_RNA) where: Base-Base interactions energy: -331.739 where: short stacking energy: -156.401 Base-Backbone interact. energy: -1.082 local terms energy: -237.304134 where: bonds (distance) C4'-P energy: -53.487 bonds (distance) P-C4' energy: -73.425 flat angles C4'-P-C4' energy: -54.101 flat angles P-C4'-P energy: -32.713 tors. eta vs tors. theta energy: -23.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -519.428769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.428769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.428769 (E_RNA) where: Base-Base interactions energy: -305.084 where: short stacking energy: -144.264 Base-Backbone interact. energy: -3.378 local terms energy: -210.967215 where: bonds (distance) C4'-P energy: -43.595 bonds (distance) P-C4' energy: -53.091 flat angles C4'-P-C4' energy: -55.173 flat angles P-C4'-P energy: -38.333 tors. eta vs tors. theta energy: -20.776 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: 4 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -364.475949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.475949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.475949 (E_RNA) where: Base-Base interactions energy: -189.687 where: short stacking energy: -97.328 Base-Backbone interact. energy: -1.142 local terms energy: -173.646427 where: bonds (distance) C4'-P energy: -52.650 bonds (distance) P-C4' energy: -53.673 flat angles C4'-P-C4' energy: -46.212 flat angles P-C4'-P energy: -23.389 tors. eta vs tors. theta energy: 2.277 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: 8 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -1095.499583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.499583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.499583 (E_RNA) where: Base-Base interactions energy: -751.086 where: short stacking energy: -339.189 Base-Backbone interact. energy: -1.358 local terms energy: -343.056059 where: bonds (distance) C4'-P energy: -71.070 bonds (distance) P-C4' energy: -64.719 flat angles C4'-P-C4' energy: -62.941 flat angles P-C4'-P energy: -46.878 tors. eta vs tors. theta energy: -97.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -1075.007199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.007199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.007199 (E_RNA) where: Base-Base interactions energy: -746.936 where: short stacking energy: -295.637 Base-Backbone interact. energy: -0.784 local terms energy: -327.287546 where: bonds (distance) C4'-P energy: -63.597 bonds (distance) P-C4' energy: -65.610 flat angles C4'-P-C4' energy: -71.395 flat angles P-C4'-P energy: -47.592 tors. eta vs tors. theta energy: -79.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -954.327889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.327889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.327889 (E_RNA) where: Base-Base interactions energy: -635.974 where: short stacking energy: -294.463 Base-Backbone interact. energy: -0.751 local terms energy: -317.602491 where: bonds (distance) C4'-P energy: -52.404 bonds (distance) P-C4' energy: -69.891 flat angles C4'-P-C4' energy: -62.872 flat angles P-C4'-P energy: -50.778 tors. eta vs tors. theta energy: -81.658 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: 3 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -954.722726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.722726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.722726 (E_RNA) where: Base-Base interactions energy: -642.309 where: short stacking energy: -276.638 Base-Backbone interact. energy: 1.581 local terms energy: -313.994751 where: bonds (distance) C4'-P energy: -62.375 bonds (distance) P-C4' energy: -66.284 flat angles C4'-P-C4' energy: -60.023 flat angles P-C4'-P energy: -47.689 tors. eta vs tors. theta energy: -77.624 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: 5, replica: 2 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -869.955783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.955783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.955783 (E_RNA) where: Base-Base interactions energy: -583.754 where: short stacking energy: -238.507 Base-Backbone interact. energy: 0.096 local terms energy: -286.297384 where: bonds (distance) C4'-P energy: -62.989 bonds (distance) P-C4' energy: -75.229 flat angles C4'-P-C4' energy: -53.386 flat angles P-C4'-P energy: -39.351 tors. eta vs tors. theta energy: -55.342 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: 10 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -807.261127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.261127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.261127 (E_RNA) where: Base-Base interactions energy: -520.672 where: short stacking energy: -223.244 Base-Backbone interact. energy: -2.379 local terms energy: -284.210725 where: bonds (distance) C4'-P energy: -65.129 bonds (distance) P-C4' energy: -55.195 flat angles C4'-P-C4' energy: -61.564 flat angles P-C4'-P energy: -44.191 tors. eta vs tors. theta energy: -58.131 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: 5 ===================================== Write number: 172 Temperature: 1.200000 Total energy: -619.637299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.637299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.637299 (E_RNA) where: Base-Base interactions energy: -390.880 where: short stacking energy: -186.106 Base-Backbone interact. energy: 6.176 local terms energy: -234.933689 where: bonds (distance) C4'-P energy: -46.566 bonds (distance) P-C4' energy: -64.394 flat angles C4'-P-C4' energy: -60.977 flat angles P-C4'-P energy: -32.826 tors. eta vs tors. theta energy: -30.171 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: 9 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -686.907939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.907939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.907939 (E_RNA) where: Base-Base interactions energy: -428.591 where: short stacking energy: -204.418 Base-Backbone interact. energy: -0.716 local terms energy: -257.600912 where: bonds (distance) C4'-P energy: -56.866 bonds (distance) P-C4' energy: -68.777 flat angles C4'-P-C4' energy: -49.183 flat angles P-C4'-P energy: -43.215 tors. eta vs tors. theta energy: -39.560 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: 7 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -576.250958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.250958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.250958 (E_RNA) where: Base-Base interactions energy: -359.052 where: short stacking energy: -170.187 Base-Backbone interact. energy: -2.106 local terms energy: -215.092740 where: bonds (distance) C4'-P energy: -39.796 bonds (distance) P-C4' energy: -70.280 flat angles C4'-P-C4' energy: -45.645 flat angles P-C4'-P energy: -31.348 tors. eta vs tors. theta energy: -28.023 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: 10, replica: 4 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -417.224006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.224006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.224006 (E_RNA) where: Base-Base interactions energy: -219.454 where: short stacking energy: -112.579 Base-Backbone interact. energy: 1.431 local terms energy: -199.200603 where: bonds (distance) C4'-P energy: -46.699 bonds (distance) P-C4' energy: -58.099 flat angles C4'-P-C4' energy: -50.135 flat angles P-C4'-P energy: -26.385 tors. eta vs tors. theta energy: -17.882 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: 8 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -1122.642431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.642431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.642431 (E_RNA) where: Base-Base interactions energy: -761.680 where: short stacking energy: -328.559 Base-Backbone interact. energy: -1.929 local terms energy: -359.033109 where: bonds (distance) C4'-P energy: -71.792 bonds (distance) P-C4' energy: -64.765 flat angles C4'-P-C4' energy: -77.176 flat angles P-C4'-P energy: -55.908 tors. eta vs tors. theta energy: -89.392 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: 1 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -1086.544787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.544787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.544787 (E_RNA) where: Base-Base interactions energy: -744.396 where: short stacking energy: -301.583 Base-Backbone interact. energy: -3.798 local terms energy: -338.350612 where: bonds (distance) C4'-P energy: -62.776 bonds (distance) P-C4' energy: -79.589 flat angles C4'-P-C4' energy: -64.182 flat angles P-C4'-P energy: -50.649 tors. eta vs tors. theta energy: -81.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -929.686201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.686201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.686201 (E_RNA) where: Base-Base interactions energy: -611.848 where: short stacking energy: -258.555 Base-Backbone interact. energy: -0.460 local terms energy: -317.377560 where: bonds (distance) C4'-P energy: -61.810 bonds (distance) P-C4' energy: -62.324 flat angles C4'-P-C4' energy: -63.752 flat angles P-C4'-P energy: -54.758 tors. eta vs tors. theta energy: -74.734 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: 3 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -903.587318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.587318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.587318 (E_RNA) where: Base-Base interactions energy: -636.232 where: short stacking energy: -267.489 Base-Backbone interact. energy: -3.475 local terms energy: -263.880410 where: bonds (distance) C4'-P energy: -49.119 bonds (distance) P-C4' energy: -42.620 flat angles C4'-P-C4' energy: -64.138 flat angles P-C4'-P energy: -37.041 tors. eta vs tors. theta energy: -70.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -827.329342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.329342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.329342 (E_RNA) where: Base-Base interactions energy: -539.746 where: short stacking energy: -227.750 Base-Backbone interact. energy: -2.631 local terms energy: -284.952226 where: bonds (distance) C4'-P energy: -59.996 bonds (distance) P-C4' energy: -69.434 flat angles C4'-P-C4' energy: -59.957 flat angles P-C4'-P energy: -42.688 tors. eta vs tors. theta energy: -52.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -842.526140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.526140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.526140 (E_RNA) where: Base-Base interactions energy: -543.414 where: short stacking energy: -246.050 Base-Backbone interact. energy: 4.256 local terms energy: -303.368248 where: bonds (distance) C4'-P energy: -50.632 bonds (distance) P-C4' energy: -61.870 flat angles C4'-P-C4' energy: -72.361 flat angles P-C4'-P energy: -46.799 tors. eta vs tors. theta energy: -71.705 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: 5 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -572.503422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.503422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.503422 (E_RNA) where: Base-Base interactions energy: -334.380 where: short stacking energy: -158.572 Base-Backbone interact. energy: 4.067 local terms energy: -242.190372 where: bonds (distance) C4'-P energy: -55.504 bonds (distance) P-C4' energy: -60.870 flat angles C4'-P-C4' energy: -62.403 flat angles P-C4'-P energy: -37.925 tors. eta vs tors. theta energy: -25.488 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: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -592.266920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.266920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.266920 (E_RNA) where: Base-Base interactions energy: -355.649 where: short stacking energy: -167.950 Base-Backbone interact. energy: -3.494 local terms energy: -233.124551 where: bonds (distance) C4'-P energy: -52.326 bonds (distance) P-C4' energy: -58.272 flat angles C4'-P-C4' energy: -62.114 flat angles P-C4'-P energy: -38.687 tors. eta vs tors. theta energy: -21.725 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: 9 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -697.888664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.888664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.888664 (E_RNA) where: Base-Base interactions energy: -477.040 where: short stacking energy: -197.363 Base-Backbone interact. energy: 0.227 local terms energy: -221.075936 where: bonds (distance) C4'-P energy: -36.518 bonds (distance) P-C4' energy: -42.791 flat angles C4'-P-C4' energy: -59.417 flat angles P-C4'-P energy: -35.372 tors. eta vs tors. theta energy: -46.978 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: 4 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -430.474300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.474300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.474300 (E_RNA) where: Base-Base interactions energy: -242.721 where: short stacking energy: -141.201 Base-Backbone interact. energy: -1.274 local terms energy: -186.479202 where: bonds (distance) C4'-P energy: -52.674 bonds (distance) P-C4' energy: -46.764 flat angles C4'-P-C4' energy: -44.421 flat angles P-C4'-P energy: -20.382 tors. eta vs tors. theta energy: -22.238 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: 8 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -1136.189675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.189675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.189675 (E_RNA) where: Base-Base interactions energy: -763.495 where: short stacking energy: -337.783 Base-Backbone interact. energy: -3.771 local terms energy: -368.923628 where: bonds (distance) C4'-P energy: -65.589 bonds (distance) P-C4' energy: -70.411 flat angles C4'-P-C4' energy: -78.132 flat angles P-C4'-P energy: -45.468 tors. eta vs tors. theta energy: -109.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -1110.659355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.659355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.659355 (E_RNA) where: Base-Base interactions energy: -766.751 where: short stacking energy: -307.687 Base-Backbone interact. energy: -3.481 local terms energy: -340.426932 where: bonds (distance) C4'-P energy: -64.122 bonds (distance) P-C4' energy: -63.639 flat angles C4'-P-C4' energy: -75.148 flat angles P-C4'-P energy: -51.670 tors. eta vs tors. theta energy: -85.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -949.639456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.639456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.639456 (E_RNA) where: Base-Base interactions energy: -655.968 where: short stacking energy: -259.304 Base-Backbone interact. energy: -1.335 local terms energy: -292.336025 where: bonds (distance) C4'-P energy: -59.549 bonds (distance) P-C4' energy: -59.167 flat angles C4'-P-C4' energy: -61.870 flat angles P-C4'-P energy: -43.907 tors. eta vs tors. theta energy: -67.844 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: 6 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -927.180876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.180876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.180876 (E_RNA) where: Base-Base interactions energy: -618.668 where: short stacking energy: -256.029 Base-Backbone interact. energy: 1.211 local terms energy: -309.724427 where: bonds (distance) C4'-P energy: -61.316 bonds (distance) P-C4' energy: -62.800 flat angles C4'-P-C4' energy: -70.857 flat angles P-C4'-P energy: -43.382 tors. eta vs tors. theta energy: -71.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -876.556235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.556235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.556235 (E_RNA) where: Base-Base interactions energy: -582.715 where: short stacking energy: -236.742 Base-Backbone interact. energy: 0.303 local terms energy: -294.145082 where: bonds (distance) C4'-P energy: -64.169 bonds (distance) P-C4' energy: -54.887 flat angles C4'-P-C4' energy: -61.126 flat angles P-C4'-P energy: -48.592 tors. eta vs tors. theta energy: -65.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -766.321023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.321023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.321023 (E_RNA) where: Base-Base interactions energy: -506.959 where: short stacking energy: -178.122 Base-Backbone interact. energy: 1.784 local terms energy: -261.146682 where: bonds (distance) C4'-P energy: -47.637 bonds (distance) P-C4' energy: -61.032 flat angles C4'-P-C4' energy: -63.007 flat angles P-C4'-P energy: -37.050 tors. eta vs tors. theta energy: -52.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -597.561252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.561252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.561252 (E_RNA) where: Base-Base interactions energy: -362.737 where: short stacking energy: -161.078 Base-Backbone interact. energy: -1.329 local terms energy: -233.495359 where: bonds (distance) C4'-P energy: -52.636 bonds (distance) P-C4' energy: -60.122 flat angles C4'-P-C4' energy: -64.694 flat angles P-C4'-P energy: -37.547 tors. eta vs tors. theta energy: -18.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -584.699906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.699906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.699906 (E_RNA) where: Base-Base interactions energy: -340.287 where: short stacking energy: -150.937 Base-Backbone interact. energy: -2.496 local terms energy: -241.917141 where: bonds (distance) C4'-P energy: -53.947 bonds (distance) P-C4' energy: -68.152 flat angles C4'-P-C4' energy: -55.728 flat angles P-C4'-P energy: -40.357 tors. eta vs tors. theta energy: -23.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 174 Temperature: 1.300000 Total energy: -714.323945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.323945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.323945 (E_RNA) where: Base-Base interactions energy: -475.218 where: short stacking energy: -202.033 Base-Backbone interact. energy: -1.856 local terms energy: -237.250571 where: bonds (distance) C4'-P energy: -50.838 bonds (distance) P-C4' energy: -35.220 flat angles C4'-P-C4' energy: -57.685 flat angles P-C4'-P energy: -44.036 tors. eta vs tors. theta energy: -49.471 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: 4 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -459.034397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -459.034397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -459.034397 (E_RNA) where: Base-Base interactions energy: -240.377 where: short stacking energy: -121.347 Base-Backbone interact. energy: -0.619 local terms energy: -218.038553 where: bonds (distance) C4'-P energy: -64.932 bonds (distance) P-C4' energy: -63.682 flat angles C4'-P-C4' energy: -50.357 flat angles P-C4'-P energy: -27.467 tors. eta vs tors. theta energy: -11.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -1120.964366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.964366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.964366 (E_RNA) where: Base-Base interactions energy: -763.838 where: short stacking energy: -345.735 Base-Backbone interact. energy: -3.028 local terms energy: -354.098717 where: bonds (distance) C4'-P energy: -64.916 bonds (distance) P-C4' energy: -62.751 flat angles C4'-P-C4' energy: -72.015 flat angles P-C4'-P energy: -56.413 tors. eta vs tors. theta energy: -98.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -1088.639482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.639482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.639482 (E_RNA) where: Base-Base interactions energy: -743.371 where: short stacking energy: -297.282 Base-Backbone interact. energy: -0.154 local terms energy: -345.114304 where: bonds (distance) C4'-P energy: -67.748 bonds (distance) P-C4' energy: -72.683 flat angles C4'-P-C4' energy: -70.814 flat angles P-C4'-P energy: -50.619 tors. eta vs tors. theta energy: -83.250 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: 3 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -975.643222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.643222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.643222 (E_RNA) where: Base-Base interactions energy: -651.744 where: short stacking energy: -279.358 Base-Backbone interact. energy: -1.991 local terms energy: -321.908096 where: bonds (distance) C4'-P energy: -65.333 bonds (distance) P-C4' energy: -66.989 flat angles C4'-P-C4' energy: -63.141 flat angles P-C4'-P energy: -47.149 tors. eta vs tors. theta energy: -79.296 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: 4, replica: 6 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -978.395129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.395129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.395129 (E_RNA) where: Base-Base interactions energy: -660.055 where: short stacking energy: -313.393 Base-Backbone interact. energy: -1.574 local terms energy: -316.766361 where: bonds (distance) C4'-P energy: -54.698 bonds (distance) P-C4' energy: -66.540 flat angles C4'-P-C4' energy: -70.047 flat angles P-C4'-P energy: -43.085 tors. eta vs tors. theta energy: -82.396 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: 5, replica: 10 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -868.871653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.871653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.871653 (E_RNA) where: Base-Base interactions energy: -587.844 where: short stacking energy: -233.664 Base-Backbone interact. energy: 0.554 local terms energy: -281.582040 where: bonds (distance) C4'-P energy: -56.923 bonds (distance) P-C4' energy: -67.163 flat angles C4'-P-C4' energy: -56.399 flat angles P-C4'-P energy: -39.107 tors. eta vs tors. theta energy: -61.990 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: 2 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -682.832985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.832985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.832985 (E_RNA) where: Base-Base interactions energy: -404.807 where: short stacking energy: -215.584 Base-Backbone interact. energy: -3.697 local terms energy: -274.329133 where: bonds (distance) C4'-P energy: -52.314 bonds (distance) P-C4' energy: -63.598 flat angles C4'-P-C4' energy: -60.040 flat angles P-C4'-P energy: -48.115 tors. eta vs tors. theta energy: -50.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -664.259044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.259044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.259044 (E_RNA) where: Base-Base interactions energy: -411.689 where: short stacking energy: -203.172 Base-Backbone interact. energy: -0.604 local terms energy: -251.965616 where: bonds (distance) C4'-P energy: -58.318 bonds (distance) P-C4' energy: -46.780 flat angles C4'-P-C4' energy: -62.182 flat angles P-C4'-P energy: -41.560 tors. eta vs tors. theta energy: -43.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -712.322530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.322530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.322530 (E_RNA) where: Base-Base interactions energy: -470.395 where: short stacking energy: -208.513 Base-Backbone interact. energy: -1.155 local terms energy: -240.772068 where: bonds (distance) C4'-P energy: -43.598 bonds (distance) P-C4' energy: -52.826 flat angles C4'-P-C4' energy: -69.385 flat angles P-C4'-P energy: -32.796 tors. eta vs tors. theta energy: -42.168 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: 5 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -564.357339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.357339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.357339 (E_RNA) where: Base-Base interactions energy: -367.394 where: short stacking energy: -172.149 Base-Backbone interact. energy: 0.930 local terms energy: -197.893454 where: bonds (distance) C4'-P energy: -33.562 bonds (distance) P-C4' energy: -50.053 flat angles C4'-P-C4' energy: -61.220 flat angles P-C4'-P energy: -30.475 tors. eta vs tors. theta energy: -22.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -463.224073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.224073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.224073 (E_RNA) where: Base-Base interactions energy: -267.986 where: short stacking energy: -123.586 Base-Backbone interact. energy: -1.008 local terms energy: -194.229900 where: bonds (distance) C4'-P energy: -49.502 bonds (distance) P-C4' energy: -62.164 flat angles C4'-P-C4' energy: -50.064 flat angles P-C4'-P energy: -22.722 tors. eta vs tors. theta energy: -9.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -1114.817202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.817202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.817202 (E_RNA) where: Base-Base interactions energy: -776.525 where: short stacking energy: -329.662 Base-Backbone interact. energy: -2.637 local terms energy: -335.655615 where: bonds (distance) C4'-P energy: -70.187 bonds (distance) P-C4' energy: -54.203 flat angles C4'-P-C4' energy: -71.035 flat angles P-C4'-P energy: -44.278 tors. eta vs tors. theta energy: -95.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -1085.639257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1085.639257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1085.639257 (E_RNA) where: Base-Base interactions energy: -743.284 where: short stacking energy: -300.431 Base-Backbone interact. energy: -1.489 local terms energy: -340.866504 where: bonds (distance) C4'-P energy: -65.167 bonds (distance) P-C4' energy: -62.561 flat angles C4'-P-C4' energy: -77.282 flat angles P-C4'-P energy: -47.202 tors. eta vs tors. theta energy: -88.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -982.765914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.765914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.765914 (E_RNA) where: Base-Base interactions energy: -679.203 where: short stacking energy: -281.982 Base-Backbone interact. energy: -1.154 local terms energy: -302.409029 where: bonds (distance) C4'-P energy: -60.178 bonds (distance) P-C4' energy: -61.006 flat angles C4'-P-C4' energy: -63.602 flat angles P-C4'-P energy: -41.317 tors. eta vs tors. theta energy: -76.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -977.052713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.052713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.052713 (E_RNA) where: Base-Base interactions energy: -653.546 where: short stacking energy: -300.834 Base-Backbone interact. energy: -1.460 local terms energy: -322.047529 where: bonds (distance) C4'-P energy: -69.503 bonds (distance) P-C4' energy: -53.289 flat angles C4'-P-C4' energy: -71.481 flat angles P-C4'-P energy: -37.934 tors. eta vs tors. theta energy: -89.840 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: 10 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -824.381149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.381149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.381149 (E_RNA) where: Base-Base interactions energy: -521.857 where: short stacking energy: -210.087 Base-Backbone interact. energy: -0.526 local terms energy: -301.998359 where: bonds (distance) C4'-P energy: -55.567 bonds (distance) P-C4' energy: -70.756 flat angles C4'-P-C4' energy: -60.207 flat angles P-C4'-P energy: -51.578 tors. eta vs tors. theta energy: -63.892 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: 2 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -701.600258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.600258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.600258 (E_RNA) where: Base-Base interactions energy: -450.036 where: short stacking energy: -197.133 Base-Backbone interact. energy: 3.255 local terms energy: -254.819275 where: bonds (distance) C4'-P energy: -53.817 bonds (distance) P-C4' energy: -69.360 flat angles C4'-P-C4' energy: -68.110 flat angles P-C4'-P energy: -37.183 tors. eta vs tors. theta energy: -26.349 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: 7, replica: 9 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -744.363151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.363151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.363151 (E_RNA) where: Base-Base interactions energy: -498.784 where: short stacking energy: -219.781 Base-Backbone interact. energy: -1.042 local terms energy: -244.536953 where: bonds (distance) C4'-P energy: -59.524 bonds (distance) P-C4' energy: -56.210 flat angles C4'-P-C4' energy: -54.658 flat angles P-C4'-P energy: -34.676 tors. eta vs tors. theta energy: -39.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -591.865502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.865502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.865502 (E_RNA) where: Base-Base interactions energy: -365.670 where: short stacking energy: -178.941 Base-Backbone interact. energy: -1.182 local terms energy: -225.013184 where: bonds (distance) C4'-P energy: -57.983 bonds (distance) P-C4' energy: -49.911 flat angles C4'-P-C4' energy: -58.261 flat angles P-C4'-P energy: -26.369 tors. eta vs tors. theta energy: -32.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -579.392112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.392112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.392112 (E_RNA) where: Base-Base interactions energy: -357.624 where: short stacking energy: -154.553 Base-Backbone interact. energy: -0.763 local terms energy: -221.004871 where: bonds (distance) C4'-P energy: -52.703 bonds (distance) P-C4' energy: -48.912 flat angles C4'-P-C4' energy: -46.780 flat angles P-C4'-P energy: -38.335 tors. eta vs tors. theta energy: -34.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -442.938784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.938784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.938784 (E_RNA) where: Base-Base interactions energy: -244.720 where: short stacking energy: -126.588 Base-Backbone interact. energy: -0.888 local terms energy: -197.331126 where: bonds (distance) C4'-P energy: -51.806 bonds (distance) P-C4' energy: -60.066 flat angles C4'-P-C4' energy: -47.489 flat angles P-C4'-P energy: -26.195 tors. eta vs tors. theta energy: -11.775 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: 8 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -1098.582753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.582753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.582753 (E_RNA) where: Base-Base interactions energy: -759.143 where: short stacking energy: -327.959 Base-Backbone interact. energy: -1.000 local terms energy: -338.439694 where: bonds (distance) C4'-P energy: -67.939 bonds (distance) P-C4' energy: -64.394 flat angles C4'-P-C4' energy: -72.888 flat angles P-C4'-P energy: -38.217 tors. eta vs tors. theta energy: -95.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -1083.621512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.621512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.621512 (E_RNA) where: Base-Base interactions energy: -749.271 where: short stacking energy: -313.623 Base-Backbone interact. energy: -3.391 local terms energy: -330.959652 where: bonds (distance) C4'-P energy: -55.973 bonds (distance) P-C4' energy: -66.756 flat angles C4'-P-C4' energy: -77.643 flat angles P-C4'-P energy: -46.384 tors. eta vs tors. theta energy: -84.203 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: 3 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -998.957205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.957205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.957205 (E_RNA) where: Base-Base interactions energy: -680.253 where: short stacking energy: -276.310 Base-Backbone interact. energy: -1.734 local terms energy: -316.970237 where: bonds (distance) C4'-P energy: -61.000 bonds (distance) P-C4' energy: -66.570 flat angles C4'-P-C4' energy: -63.238 flat angles P-C4'-P energy: -51.150 tors. eta vs tors. theta energy: -75.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -980.751209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.751209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.751209 (E_RNA) where: Base-Base interactions energy: -660.737 where: short stacking energy: -287.561 Base-Backbone interact. energy: 0.880 local terms energy: -320.893817 where: bonds (distance) C4'-P energy: -59.799 bonds (distance) P-C4' energy: -60.847 flat angles C4'-P-C4' energy: -68.343 flat angles P-C4'-P energy: -53.509 tors. eta vs tors. theta energy: -78.395 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: 10 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -876.040185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.040185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.040185 (E_RNA) where: Base-Base interactions energy: -611.296 where: short stacking energy: -259.143 Base-Backbone interact. energy: -1.769 local terms energy: -262.975918 where: bonds (distance) C4'-P energy: -45.348 bonds (distance) P-C4' energy: -53.900 flat angles C4'-P-C4' energy: -55.390 flat angles P-C4'-P energy: -36.624 tors. eta vs tors. theta energy: -71.714 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: 177 Temperature: 1.150000 Total energy: -779.028956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.028956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.028956 (E_RNA) where: Base-Base interactions energy: -519.316 where: short stacking energy: -228.045 Base-Backbone interact. energy: -1.495 local terms energy: -258.217760 where: bonds (distance) C4'-P energy: -57.121 bonds (distance) P-C4' energy: -51.809 flat angles C4'-P-C4' energy: -61.981 flat angles P-C4'-P energy: -41.351 tors. eta vs tors. theta energy: -45.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -642.396147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.396147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.396147 (E_RNA) where: Base-Base interactions energy: -387.637 where: short stacking energy: -180.541 Base-Backbone interact. energy: 0.301 local terms energy: -255.060748 where: bonds (distance) C4'-P energy: -58.913 bonds (distance) P-C4' energy: -63.175 flat angles C4'-P-C4' energy: -65.485 flat angles P-C4'-P energy: -30.393 tors. eta vs tors. theta energy: -37.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -572.480480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.480480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.480480 (E_RNA) where: Base-Base interactions energy: -340.428 where: short stacking energy: -171.767 Base-Backbone interact. energy: 0.256 local terms energy: -232.308165 where: bonds (distance) C4'-P energy: -54.257 bonds (distance) P-C4' energy: -66.089 flat angles C4'-P-C4' energy: -53.850 flat angles P-C4'-P energy: -36.088 tors. eta vs tors. theta energy: -22.023 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: 9, replica: 5 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -562.823684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.823684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.823684 (E_RNA) where: Base-Base interactions energy: -314.498 where: short stacking energy: -132.204 Base-Backbone interact. energy: -1.761 local terms energy: -246.564979 where: bonds (distance) C4'-P energy: -56.171 bonds (distance) P-C4' energy: -68.037 flat angles C4'-P-C4' energy: -55.515 flat angles P-C4'-P energy: -36.849 tors. eta vs tors. theta energy: -29.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -408.923826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.923826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.923826 (E_RNA) where: Base-Base interactions energy: -210.618 where: short stacking energy: -106.300 Base-Backbone interact. energy: 1.706 local terms energy: -200.012577 where: bonds (distance) C4'-P energy: -38.797 bonds (distance) P-C4' energy: -57.615 flat angles C4'-P-C4' energy: -54.590 flat angles P-C4'-P energy: -35.189 tors. eta vs tors. theta energy: -13.822 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: 1, replica: 8 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -1108.731462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.731462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.731462 (E_RNA) where: Base-Base interactions energy: -759.435 where: short stacking energy: -337.606 Base-Backbone interact. energy: -1.437 local terms energy: -347.859154 where: bonds (distance) C4'-P energy: -64.250 bonds (distance) P-C4' energy: -67.268 flat angles C4'-P-C4' energy: -67.595 flat angles P-C4'-P energy: -52.283 tors. eta vs tors. theta energy: -96.463 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: 1 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -1074.577976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.577976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.577976 (E_RNA) where: Base-Base interactions energy: -764.976 where: short stacking energy: -297.047 Base-Backbone interact. energy: -4.909 local terms energy: -304.692570 where: bonds (distance) C4'-P energy: -65.983 bonds (distance) P-C4' energy: -61.569 flat angles C4'-P-C4' energy: -56.588 flat angles P-C4'-P energy: -39.159 tors. eta vs tors. theta energy: -81.393 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: 6 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -1027.648303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.648303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.648303 (E_RNA) where: Base-Base interactions energy: -695.155 where: short stacking energy: -324.098 Base-Backbone interact. energy: -0.818 local terms energy: -331.675376 where: bonds (distance) C4'-P energy: -59.557 bonds (distance) P-C4' energy: -62.328 flat angles C4'-P-C4' energy: -72.959 flat angles P-C4'-P energy: -44.548 tors. eta vs tors. theta energy: -92.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -968.450055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.450055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.450055 (E_RNA) where: Base-Base interactions energy: -664.969 where: short stacking energy: -270.457 Base-Backbone interact. energy: -0.885 local terms energy: -302.596286 where: bonds (distance) C4'-P energy: -57.304 bonds (distance) P-C4' energy: -59.851 flat angles C4'-P-C4' energy: -61.375 flat angles P-C4'-P energy: -41.850 tors. eta vs tors. theta energy: -82.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -916.617439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.617439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.617439 (E_RNA) where: Base-Base interactions energy: -616.093 where: short stacking energy: -250.207 Base-Backbone interact. energy: -1.700 local terms energy: -298.824681 where: bonds (distance) C4'-P energy: -58.267 bonds (distance) P-C4' energy: -46.125 flat angles C4'-P-C4' energy: -74.159 flat angles P-C4'-P energy: -43.176 tors. eta vs tors. theta energy: -77.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -791.678362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.678362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.678362 (E_RNA) where: Base-Base interactions energy: -513.752 where: short stacking energy: -232.708 Base-Backbone interact. energy: -1.095 local terms energy: -276.831791 where: bonds (distance) C4'-P energy: -57.902 bonds (distance) P-C4' energy: -57.065 flat angles C4'-P-C4' energy: -62.731 flat angles P-C4'-P energy: -52.535 tors. eta vs tors. theta energy: -46.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -598.368713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.368713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.368713 (E_RNA) where: Base-Base interactions energy: -358.842 where: short stacking energy: -172.371 Base-Backbone interact. energy: -1.275 local terms energy: -238.251749 where: bonds (distance) C4'-P energy: -44.802 bonds (distance) P-C4' energy: -60.809 flat angles C4'-P-C4' energy: -61.938 flat angles P-C4'-P energy: -32.562 tors. eta vs tors. theta energy: -38.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -648.033566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.033566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.033566 (E_RNA) where: Base-Base interactions energy: -408.297 where: short stacking energy: -169.044 Base-Backbone interact. energy: -1.584 local terms energy: -238.152505 where: bonds (distance) C4'-P energy: -59.594 bonds (distance) P-C4' energy: -52.703 flat angles C4'-P-C4' energy: -51.469 flat angles P-C4'-P energy: -43.247 tors. eta vs tors. theta energy: -31.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -517.119085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -517.119085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -517.119085 (E_RNA) where: Base-Base interactions energy: -312.100 where: short stacking energy: -146.270 Base-Backbone interact. energy: 0.306 local terms energy: -205.324801 where: bonds (distance) C4'-P energy: -43.715 bonds (distance) P-C4' energy: -61.411 flat angles C4'-P-C4' energy: -58.887 flat angles P-C4'-P energy: -23.833 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: 10, replica: 4 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -412.544243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.544243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.544243 (E_RNA) where: Base-Base interactions energy: -238.472 where: short stacking energy: -105.225 Base-Backbone interact. energy: 1.185 local terms energy: -175.257185 where: bonds (distance) C4'-P energy: -49.898 bonds (distance) P-C4' energy: -55.287 flat angles C4'-P-C4' energy: -35.330 flat angles P-C4'-P energy: -28.199 tors. eta vs tors. theta energy: -6.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -1109.073510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.073510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.073510 (E_RNA) where: Base-Base interactions energy: -753.414 where: short stacking energy: -342.002 Base-Backbone interact. energy: 1.630 local terms energy: -357.289141 where: bonds (distance) C4'-P energy: -71.049 bonds (distance) P-C4' energy: -68.216 flat angles C4'-P-C4' energy: -73.121 flat angles P-C4'-P energy: -46.926 tors. eta vs tors. theta energy: -97.978 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: 2, replica: 6 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -1061.426088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.426088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.426088 (E_RNA) where: Base-Base interactions energy: -697.942 where: short stacking energy: -328.294 Base-Backbone interact. energy: -0.378 local terms energy: -363.105720 where: bonds (distance) C4'-P energy: -66.341 bonds (distance) P-C4' energy: -69.190 flat angles C4'-P-C4' energy: -80.347 flat angles P-C4'-P energy: -55.382 tors. eta vs tors. theta energy: -91.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -1047.702712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.702712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.702712 (E_RNA) where: Base-Base interactions energy: -721.907 where: short stacking energy: -303.405 Base-Backbone interact. energy: 1.505 local terms energy: -327.300138 where: bonds (distance) C4'-P energy: -63.125 bonds (distance) P-C4' energy: -62.147 flat angles C4'-P-C4' energy: -71.011 flat angles P-C4'-P energy: -49.742 tors. eta vs tors. theta energy: -81.276 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: 179 Temperature: 1.050000 Total energy: -991.185146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.185146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.185146 (E_RNA) where: Base-Base interactions energy: -689.159 where: short stacking energy: -271.467 Base-Backbone interact. energy: -1.815 local terms energy: -300.211240 where: bonds (distance) C4'-P energy: -59.317 bonds (distance) P-C4' energy: -58.880 flat angles C4'-P-C4' energy: -65.471 flat angles P-C4'-P energy: -45.601 tors. eta vs tors. theta energy: -70.943 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: 10 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -872.393817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.393817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.393817 (E_RNA) where: Base-Base interactions energy: -592.289 where: short stacking energy: -258.282 Base-Backbone interact. energy: -1.065 local terms energy: -279.039517 where: bonds (distance) C4'-P energy: -47.298 bonds (distance) P-C4' energy: -55.691 flat angles C4'-P-C4' energy: -64.291 flat angles P-C4'-P energy: -43.408 tors. eta vs tors. theta energy: -68.352 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: 6, replica: 9 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -810.122297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.122297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.122297 (E_RNA) where: Base-Base interactions energy: -526.979 where: short stacking energy: -227.929 Base-Backbone interact. energy: -0.906 local terms energy: -282.237451 where: bonds (distance) C4'-P energy: -53.319 bonds (distance) P-C4' energy: -72.197 flat angles C4'-P-C4' energy: -61.877 flat angles P-C4'-P energy: -33.836 tors. eta vs tors. theta energy: -61.008 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: 7 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -592.763000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.763000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.763000 (E_RNA) where: Base-Base interactions energy: -349.642 where: short stacking energy: -173.519 Base-Backbone interact. energy: -2.891 local terms energy: -240.230065 where: bonds (distance) C4'-P energy: -66.991 bonds (distance) P-C4' energy: -51.681 flat angles C4'-P-C4' energy: -64.149 flat angles P-C4'-P energy: -30.762 tors. eta vs tors. theta energy: -26.647 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: 2 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -549.533813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.533813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.533813 (E_RNA) where: Base-Base interactions energy: -324.716 where: short stacking energy: -150.083 Base-Backbone interact. energy: -1.736 local terms energy: -223.082104 where: bonds (distance) C4'-P energy: -57.901 bonds (distance) P-C4' energy: -57.069 flat angles C4'-P-C4' energy: -54.311 flat angles P-C4'-P energy: -31.686 tors. eta vs tors. theta energy: -22.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -463.739752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -463.739752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -463.739752 (E_RNA) where: Base-Base interactions energy: -274.935 where: short stacking energy: -141.624 Base-Backbone interact. energy: -2.879 local terms energy: -185.925437 where: bonds (distance) C4'-P energy: -21.882 bonds (distance) P-C4' energy: -59.061 flat angles C4'-P-C4' energy: -50.026 flat angles P-C4'-P energy: -37.351 tors. eta vs tors. theta energy: -17.605 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: 10, replica: 4 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -394.725071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -394.725071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -394.725071 (E_RNA) where: Base-Base interactions energy: -201.000 where: short stacking energy: -108.440 Base-Backbone interact. energy: 1.531 local terms energy: -195.256544 where: bonds (distance) C4'-P energy: -44.680 bonds (distance) P-C4' energy: -53.369 flat angles C4'-P-C4' energy: -54.243 flat angles P-C4'-P energy: -30.765 tors. eta vs tors. theta energy: -12.200 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: 8 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -1109.632224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.632224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.632224 (E_RNA) where: Base-Base interactions energy: -739.914 where: short stacking energy: -338.846 Base-Backbone interact. energy: -0.534 local terms energy: -369.183766 where: bonds (distance) C4'-P energy: -61.967 bonds (distance) P-C4' energy: -71.426 flat angles C4'-P-C4' energy: -80.923 flat angles P-C4'-P energy: -52.915 tors. eta vs tors. theta energy: -101.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -1051.631123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.631123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.631123 (E_RNA) where: Base-Base interactions energy: -695.387 where: short stacking energy: -321.770 Base-Backbone interact. energy: -0.957 local terms energy: -355.286606 where: bonds (distance) C4'-P energy: -68.364 bonds (distance) P-C4' energy: -66.287 flat angles C4'-P-C4' energy: -75.350 flat angles P-C4'-P energy: -55.141 tors. eta vs tors. theta energy: -90.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -1042.788940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.788940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.788940 (E_RNA) where: Base-Base interactions energy: -731.825 where: short stacking energy: -306.340 Base-Backbone interact. energy: 0.487 local terms energy: -311.451038 where: bonds (distance) C4'-P energy: -52.428 bonds (distance) P-C4' energy: -57.823 flat angles C4'-P-C4' energy: -69.983 flat angles P-C4'-P energy: -46.591 tors. eta vs tors. theta energy: -84.626 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: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -974.435838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.435838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.435838 (E_RNA) where: Base-Base interactions energy: -663.035 where: short stacking energy: -289.702 Base-Backbone interact. energy: -0.869 local terms energy: -310.532083 where: bonds (distance) C4'-P energy: -48.494 bonds (distance) P-C4' energy: -71.354 flat angles C4'-P-C4' energy: -55.561 flat angles P-C4'-P energy: -52.280 tors. eta vs tors. theta energy: -82.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 180 Temperature: 1.100000 Total energy: -919.882422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.882422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.882422 (E_RNA) where: Base-Base interactions energy: -602.441 where: short stacking energy: -280.433 Base-Backbone interact. energy: -1.497 local terms energy: -315.944177 where: bonds (distance) C4'-P energy: -65.095 bonds (distance) P-C4' energy: -67.317 flat angles C4'-P-C4' energy: -76.947 flat angles P-C4'-P energy: -40.802 tors. eta vs tors. theta energy: -65.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -817.766979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.766979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.766979 (E_RNA) where: Base-Base interactions energy: -553.260 where: short stacking energy: -227.789 Base-Backbone interact. energy: -2.009 local terms energy: -262.498431 where: bonds (distance) C4'-P energy: -46.583 bonds (distance) P-C4' energy: -53.411 flat angles C4'-P-C4' energy: -54.844 flat angles P-C4'-P energy: -46.349 tors. eta vs tors. theta energy: -61.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -598.749507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.749507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.749507 (E_RNA) where: Base-Base interactions energy: -350.562 where: short stacking energy: -164.467 Base-Backbone interact. energy: -3.157 local terms energy: -245.030756 where: bonds (distance) C4'-P energy: -58.484 bonds (distance) P-C4' energy: -62.839 flat angles C4'-P-C4' energy: -55.949 flat angles P-C4'-P energy: -38.504 tors. eta vs tors. theta energy: -29.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -555.560649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.560649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.560649 (E_RNA) where: Base-Base interactions energy: -330.644 where: short stacking energy: -160.762 Base-Backbone interact. energy: 4.441 local terms energy: -229.357678 where: bonds (distance) C4'-P energy: -52.347 bonds (distance) P-C4' energy: -59.645 flat angles C4'-P-C4' energy: -55.506 flat angles P-C4'-P energy: -31.566 tors. eta vs tors. theta energy: -30.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -507.512351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.512351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.512351 (E_RNA) where: Base-Base interactions energy: -324.977 where: short stacking energy: -134.506 Base-Backbone interact. energy: 3.072 local terms energy: -185.606888 where: bonds (distance) C4'-P energy: -58.548 bonds (distance) P-C4' energy: -56.115 flat angles C4'-P-C4' energy: -45.544 flat angles P-C4'-P energy: -26.449 tors. eta vs tors. theta energy: 1.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -392.149793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.149793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.149793 (E_RNA) where: Base-Base interactions energy: -224.588 where: short stacking energy: -111.142 Base-Backbone interact. energy: 0.475 local terms energy: -168.037028 where: bonds (distance) C4'-P energy: -63.793 bonds (distance) P-C4' energy: -49.051 flat angles C4'-P-C4' energy: -41.391 flat angles P-C4'-P energy: -20.646 tors. eta vs tors. theta energy: 6.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -1112.232385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.232385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.232385 (E_RNA) where: Base-Base interactions energy: -756.928 where: short stacking energy: -341.587 Base-Backbone interact. energy: 0.731 local terms energy: -356.035416 where: bonds (distance) C4'-P energy: -62.184 bonds (distance) P-C4' energy: -66.975 flat angles C4'-P-C4' energy: -72.427 flat angles P-C4'-P energy: -52.113 tors. eta vs tors. theta energy: -102.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -1059.361907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.361907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.361907 (E_RNA) where: Base-Base interactions energy: -718.720 where: short stacking energy: -297.036 Base-Backbone interact. energy: -2.706 local terms energy: -337.935195 where: bonds (distance) C4'-P energy: -64.988 bonds (distance) P-C4' energy: -61.487 flat angles C4'-P-C4' energy: -77.262 flat angles P-C4'-P energy: -51.872 tors. eta vs tors. theta energy: -82.326 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: 3, replica: 6 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -993.780945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.780945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.780945 (E_RNA) where: Base-Base interactions energy: -645.477 where: short stacking energy: -294.904 Base-Backbone interact. energy: -1.459 local terms energy: -346.845238 where: bonds (distance) C4'-P energy: -63.049 bonds (distance) P-C4' energy: -64.437 flat angles C4'-P-C4' energy: -75.451 flat angles P-C4'-P energy: -50.931 tors. eta vs tors. theta energy: -92.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -931.426144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -931.426144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -931.426144 (E_RNA) where: Base-Base interactions energy: -636.388 where: short stacking energy: -247.154 Base-Backbone interact. energy: -1.430 local terms energy: -293.608087 where: bonds (distance) C4'-P energy: -59.312 bonds (distance) P-C4' energy: -59.500 flat angles C4'-P-C4' energy: -69.778 flat angles P-C4'-P energy: -40.916 tors. eta vs tors. theta energy: -64.102 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: 10 ===================================== Write number: 181 Temperature: 1.100000 Total energy: -924.020896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.020896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.020896 (E_RNA) where: Base-Base interactions energy: -613.376 where: short stacking energy: -281.006 Base-Backbone interact. energy: -1.691 local terms energy: -308.953567 where: bonds (distance) C4'-P energy: -63.517 bonds (distance) P-C4' energy: -56.540 flat angles C4'-P-C4' energy: -68.385 flat angles P-C4'-P energy: -45.356 tors. eta vs tors. theta energy: -75.156 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: 181 Temperature: 1.150000 Total energy: -762.209548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.209548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.209548 (E_RNA) where: Base-Base interactions energy: -481.354 where: short stacking energy: -209.200 Base-Backbone interact. energy: -3.231 local terms energy: -277.624483 where: bonds (distance) C4'-P energy: -58.745 bonds (distance) P-C4' energy: -61.891 flat angles C4'-P-C4' energy: -61.412 flat angles P-C4'-P energy: -45.449 tors. eta vs tors. theta energy: -50.127 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: 2 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -642.799007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.799007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.799007 (E_RNA) where: Base-Base interactions energy: -392.192 where: short stacking energy: -171.147 Base-Backbone interact. energy: -1.860 local terms energy: -248.747345 where: bonds (distance) C4'-P energy: -52.618 bonds (distance) P-C4' energy: -55.101 flat angles C4'-P-C4' energy: -65.483 flat angles P-C4'-P energy: -44.033 tors. eta vs tors. theta energy: -31.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -576.984159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.984159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.984159 (E_RNA) where: Base-Base interactions energy: -357.828 where: short stacking energy: -154.397 Base-Backbone interact. energy: -1.229 local terms energy: -217.927588 where: bonds (distance) C4'-P energy: -48.656 bonds (distance) P-C4' energy: -60.291 flat angles C4'-P-C4' energy: -61.191 flat angles P-C4'-P energy: -27.942 tors. eta vs tors. theta energy: -19.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -458.515769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.515769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.515769 (E_RNA) where: Base-Base interactions energy: -267.902 where: short stacking energy: -124.433 Base-Backbone interact. energy: 1.102 local terms energy: -191.716145 where: bonds (distance) C4'-P energy: -63.989 bonds (distance) P-C4' energy: -53.905 flat angles C4'-P-C4' energy: -42.343 flat angles P-C4'-P energy: -24.781 tors. eta vs tors. theta energy: -6.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -399.837588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.837588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.837588 (E_RNA) where: Base-Base interactions energy: -199.924 where: short stacking energy: -94.425 Base-Backbone interact. energy: -0.514 local terms energy: -199.399465 where: bonds (distance) C4'-P energy: -55.101 bonds (distance) P-C4' energy: -52.307 flat angles C4'-P-C4' energy: -63.780 flat angles P-C4'-P energy: -29.480 tors. eta vs tors. theta energy: 1.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -1116.616579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.616579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.616579 (E_RNA) where: Base-Base interactions energy: -755.819 where: short stacking energy: -330.691 Base-Backbone interact. energy: -1.645 local terms energy: -359.153426 where: bonds (distance) C4'-P energy: -62.858 bonds (distance) P-C4' energy: -75.273 flat angles C4'-P-C4' energy: -67.471 flat angles P-C4'-P energy: -58.005 tors. eta vs tors. theta energy: -95.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -1060.636144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.636144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.636144 (E_RNA) where: Base-Base interactions energy: -728.327 where: short stacking energy: -296.595 Base-Backbone interact. energy: -2.833 local terms energy: -329.475598 where: bonds (distance) C4'-P energy: -67.506 bonds (distance) P-C4' energy: -64.884 flat angles C4'-P-C4' energy: -68.468 flat angles P-C4'-P energy: -47.659 tors. eta vs tors. theta energy: -80.960 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: 6 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -1030.482075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.482075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.482075 (E_RNA) where: Base-Base interactions energy: -701.168 where: short stacking energy: -298.677 Base-Backbone interact. energy: 1.247 local terms energy: -330.560348 where: bonds (distance) C4'-P energy: -62.990 bonds (distance) P-C4' energy: -55.351 flat angles C4'-P-C4' energy: -75.619 flat angles P-C4'-P energy: -53.876 tors. eta vs tors. theta energy: -82.725 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: 3 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -976.976288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -976.976288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -976.976288 (E_RNA) where: Base-Base interactions energy: -678.015 where: short stacking energy: -289.892 Base-Backbone interact. energy: -1.569 local terms energy: -297.392280 where: bonds (distance) C4'-P energy: -55.859 bonds (distance) P-C4' energy: -58.273 flat angles C4'-P-C4' energy: -63.082 flat angles P-C4'-P energy: -41.741 tors. eta vs tors. theta energy: -78.437 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: 10 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -917.556866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.556866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.556866 (E_RNA) where: Base-Base interactions energy: -632.379 where: short stacking energy: -270.192 Base-Backbone interact. energy: 2.465 local terms energy: -287.642947 where: bonds (distance) C4'-P energy: -54.570 bonds (distance) P-C4' energy: -61.052 flat angles C4'-P-C4' energy: -64.899 flat angles P-C4'-P energy: -37.498 tors. eta vs tors. theta energy: -69.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -770.046493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.046493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.046493 (E_RNA) where: Base-Base interactions energy: -517.448 where: short stacking energy: -219.733 Base-Backbone interact. energy: 1.371 local terms energy: -253.970248 where: bonds (distance) C4'-P energy: -52.752 bonds (distance) P-C4' energy: -61.612 flat angles C4'-P-C4' energy: -58.930 flat angles P-C4'-P energy: -43.675 tors. eta vs tors. theta energy: -37.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -569.710945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.710945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.710945 (E_RNA) where: Base-Base interactions energy: -326.463 where: short stacking energy: -161.471 Base-Backbone interact. energy: 0.443 local terms energy: -243.690554 where: bonds (distance) C4'-P energy: -54.070 bonds (distance) P-C4' energy: -67.103 flat angles C4'-P-C4' energy: -61.459 flat angles P-C4'-P energy: -42.942 tors. eta vs tors. theta energy: -18.118 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: 2 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -571.048126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.048126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.048126 (E_RNA) where: Base-Base interactions energy: -349.360 where: short stacking energy: -147.838 Base-Backbone interact. energy: 2.408 local terms energy: -224.095804 where: bonds (distance) C4'-P energy: -44.624 bonds (distance) P-C4' energy: -63.393 flat angles C4'-P-C4' energy: -61.057 flat angles P-C4'-P energy: -25.852 tors. eta vs tors. theta energy: -29.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -453.037044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.037044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.037044 (E_RNA) where: Base-Base interactions energy: -231.206 where: short stacking energy: -121.126 Base-Backbone interact. energy: -3.812 local terms energy: -218.019508 where: bonds (distance) C4'-P energy: -60.288 bonds (distance) P-C4' energy: -54.831 flat angles C4'-P-C4' energy: -47.905 flat angles P-C4'-P energy: -35.832 tors. eta vs tors. theta energy: -19.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -401.102983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.102983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.102983 (E_RNA) where: Base-Base interactions energy: -214.511 where: short stacking energy: -115.246 Base-Backbone interact. energy: 4.895 local terms energy: -191.487063 where: bonds (distance) C4'-P energy: -39.469 bonds (distance) P-C4' energy: -66.696 flat angles C4'-P-C4' energy: -56.147 flat angles P-C4'-P energy: -24.281 tors. eta vs tors. theta energy: -4.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -1110.527969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.527969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.527969 (E_RNA) where: Base-Base interactions energy: -762.465 where: short stacking energy: -313.247 Base-Backbone interact. energy: -0.009 local terms energy: -348.053816 where: bonds (distance) C4'-P energy: -66.340 bonds (distance) P-C4' energy: -71.078 flat angles C4'-P-C4' energy: -74.158 flat angles P-C4'-P energy: -46.881 tors. eta vs tors. theta energy: -89.596 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: 6 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -1037.342056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.342056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.342056 (E_RNA) where: Base-Base interactions energy: -700.059 where: short stacking energy: -321.357 Base-Backbone interact. energy: -0.600 local terms energy: -336.683277 where: bonds (distance) C4'-P energy: -64.123 bonds (distance) P-C4' energy: -61.654 flat angles C4'-P-C4' energy: -71.233 flat angles P-C4'-P energy: -47.034 tors. eta vs tors. theta energy: -92.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -1053.293420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.293420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.293420 (E_RNA) where: Base-Base interactions energy: -717.447 where: short stacking energy: -301.507 Base-Backbone interact. energy: 1.779 local terms energy: -337.625655 where: bonds (distance) C4'-P energy: -55.834 bonds (distance) P-C4' energy: -68.897 flat angles C4'-P-C4' energy: -79.403 flat angles P-C4'-P energy: -46.931 tors. eta vs tors. theta energy: -86.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -977.693840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.693840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.693840 (E_RNA) where: Base-Base interactions energy: -669.893 where: short stacking energy: -265.460 Base-Backbone interact. energy: -2.970 local terms energy: -304.830487 where: bonds (distance) C4'-P energy: -60.289 bonds (distance) P-C4' energy: -57.195 flat angles C4'-P-C4' energy: -62.673 flat angles P-C4'-P energy: -48.039 tors. eta vs tors. theta energy: -76.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -947.521668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.521668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.521668 (E_RNA) where: Base-Base interactions energy: -649.519 where: short stacking energy: -290.087 Base-Backbone interact. energy: -0.266 local terms energy: -297.737079 where: bonds (distance) C4'-P energy: -53.508 bonds (distance) P-C4' energy: -70.800 flat angles C4'-P-C4' energy: -60.598 flat angles P-C4'-P energy: -33.544 tors. eta vs tors. theta energy: -79.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -807.564380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.564380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.564380 (E_RNA) where: Base-Base interactions energy: -530.515 where: short stacking energy: -223.401 Base-Backbone interact. energy: -1.244 local terms energy: -275.805615 where: bonds (distance) C4'-P energy: -58.309 bonds (distance) P-C4' energy: -56.650 flat angles C4'-P-C4' energy: -62.133 flat angles P-C4'-P energy: -42.487 tors. eta vs tors. theta energy: -56.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -581.950878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.950878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.950878 (E_RNA) where: Base-Base interactions energy: -346.310 where: short stacking energy: -177.167 Base-Backbone interact. energy: 1.830 local terms energy: -237.471206 where: bonds (distance) C4'-P energy: -58.049 bonds (distance) P-C4' energy: -56.210 flat angles C4'-P-C4' energy: -60.293 flat angles P-C4'-P energy: -29.805 tors. eta vs tors. theta energy: -33.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -580.110576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -580.110576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -580.110576 (E_RNA) where: Base-Base interactions energy: -334.783 where: short stacking energy: -158.071 Base-Backbone interact. energy: -0.847 local terms energy: -244.480372 where: bonds (distance) C4'-P energy: -52.412 bonds (distance) P-C4' energy: -67.601 flat angles C4'-P-C4' energy: -63.256 flat angles P-C4'-P energy: -38.415 tors. eta vs tors. theta energy: -22.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -448.755922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.755922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.755922 (E_RNA) where: Base-Base interactions energy: -239.991 where: short stacking energy: -122.221 Base-Backbone interact. energy: -0.715 local terms energy: -208.049603 where: bonds (distance) C4'-P energy: -65.693 bonds (distance) P-C4' energy: -50.408 flat angles C4'-P-C4' energy: -62.765 flat angles P-C4'-P energy: -16.472 tors. eta vs tors. theta energy: -12.711 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: 5 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -368.764941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -368.764941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -368.764941 (E_RNA) where: Base-Base interactions energy: -186.070 where: short stacking energy: -106.688 Base-Backbone interact. energy: 2.254 local terms energy: -184.949867 where: bonds (distance) C4'-P energy: -52.513 bonds (distance) P-C4' energy: -57.604 flat angles C4'-P-C4' energy: -52.343 flat angles P-C4'-P energy: -16.392 tors. eta vs tors. theta energy: -6.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -1138.981168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.981168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.981168 (E_RNA) where: Base-Base interactions energy: -764.237 where: short stacking energy: -329.803 Base-Backbone interact. energy: -4.755 local terms energy: -369.989648 where: bonds (distance) C4'-P energy: -66.208 bonds (distance) P-C4' energy: -68.608 flat angles C4'-P-C4' energy: -79.990 flat angles P-C4'-P energy: -53.435 tors. eta vs tors. theta energy: -101.749 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: 6 ===================================== Write number: 184 Temperature: 0.950000 Total energy: -1065.564665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.564665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.564665 (E_RNA) where: Base-Base interactions energy: -718.707 where: short stacking energy: -329.752 Base-Backbone interact. energy: -1.827 local terms energy: -345.030617 where: bonds (distance) C4'-P energy: -59.027 bonds (distance) P-C4' energy: -69.637 flat angles C4'-P-C4' energy: -75.077 flat angles P-C4'-P energy: -47.922 tors. eta vs tors. theta energy: -93.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -1058.496129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.496129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.496129 (E_RNA) where: Base-Base interactions energy: -750.370 where: short stacking energy: -292.715 Base-Backbone interact. energy: 1.744 local terms energy: -309.869424 where: bonds (distance) C4'-P energy: -62.446 bonds (distance) P-C4' energy: -57.384 flat angles C4'-P-C4' energy: -55.843 flat angles P-C4'-P energy: -47.716 tors. eta vs tors. theta energy: -86.480 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: 3 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -970.033626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.033626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.033626 (E_RNA) where: Base-Base interactions energy: -668.897 where: short stacking energy: -286.092 Base-Backbone interact. energy: -0.952 local terms energy: -300.184396 where: bonds (distance) C4'-P energy: -44.925 bonds (distance) P-C4' energy: -66.447 flat angles C4'-P-C4' energy: -66.803 flat angles P-C4'-P energy: -42.798 tors. eta vs tors. theta energy: -79.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -963.255912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.255912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.255912 (E_RNA) where: Base-Base interactions energy: -669.120 where: short stacking energy: -279.907 Base-Backbone interact. energy: -2.116 local terms energy: -292.019272 where: bonds (distance) C4'-P energy: -54.558 bonds (distance) P-C4' energy: -50.546 flat angles C4'-P-C4' energy: -68.443 flat angles P-C4'-P energy: -43.401 tors. eta vs tors. theta energy: -75.071 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: 6, replica: 9 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -769.437821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -769.437821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -769.437821 (E_RNA) where: Base-Base interactions energy: -506.667 where: short stacking energy: -207.642 Base-Backbone interact. energy: -1.343 local terms energy: -261.428109 where: bonds (distance) C4'-P energy: -60.759 bonds (distance) P-C4' energy: -56.068 flat angles C4'-P-C4' energy: -63.829 flat angles P-C4'-P energy: -35.010 tors. eta vs tors. theta energy: -45.761 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: 2 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -608.290373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.290373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.290373 (E_RNA) where: Base-Base interactions energy: -375.871 where: short stacking energy: -179.977 Base-Backbone interact. energy: 1.425 local terms energy: -233.844746 where: bonds (distance) C4'-P energy: -59.810 bonds (distance) P-C4' energy: -63.486 flat angles C4'-P-C4' energy: -55.654 flat angles P-C4'-P energy: -19.972 tors. eta vs tors. theta energy: -34.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -573.048869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.048869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.048869 (E_RNA) where: Base-Base interactions energy: -345.347 where: short stacking energy: -148.170 Base-Backbone interact. energy: -2.973 local terms energy: -224.728360 where: bonds (distance) C4'-P energy: -63.748 bonds (distance) P-C4' energy: -57.668 flat angles C4'-P-C4' energy: -46.846 flat angles P-C4'-P energy: -36.243 tors. eta vs tors. theta energy: -20.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -386.564706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -386.564706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -386.564706 (E_RNA) where: Base-Base interactions energy: -198.620 where: short stacking energy: -104.108 Base-Backbone interact. energy: -0.799 local terms energy: -187.146016 where: bonds (distance) C4'-P energy: -52.577 bonds (distance) P-C4' energy: -56.848 flat angles C4'-P-C4' energy: -45.391 flat angles P-C4'-P energy: -28.458 tors. eta vs tors. theta energy: -3.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -372.940034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.940034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.940034 (E_RNA) where: Base-Base interactions energy: -191.221 where: short stacking energy: -96.498 Base-Backbone interact. energy: -1.621 local terms energy: -180.098375 where: bonds (distance) C4'-P energy: -43.035 bonds (distance) P-C4' energy: -58.973 flat angles C4'-P-C4' energy: -48.391 flat angles P-C4'-P energy: -30.822 tors. eta vs tors. theta energy: 1.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -1165.293408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.293408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.293408 (E_RNA) where: Base-Base interactions energy: -808.058 where: short stacking energy: -353.867 Base-Backbone interact. energy: -3.321 local terms energy: -353.914864 where: bonds (distance) C4'-P energy: -72.764 bonds (distance) P-C4' energy: -61.244 flat angles C4'-P-C4' energy: -68.141 flat angles P-C4'-P energy: -46.636 tors. eta vs tors. theta energy: -105.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -1078.399277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.399277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.399277 (E_RNA) where: Base-Base interactions energy: -731.369 where: short stacking energy: -348.383 Base-Backbone interact. energy: -0.856 local terms energy: -346.174221 where: bonds (distance) C4'-P energy: -54.327 bonds (distance) P-C4' energy: -63.752 flat angles C4'-P-C4' energy: -78.396 flat angles P-C4'-P energy: -51.278 tors. eta vs tors. theta energy: -98.422 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: 185 Temperature: 1.000000 Total energy: -1066.614530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.614530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.614530 (E_RNA) where: Base-Base interactions energy: -734.260 where: short stacking energy: -309.406 Base-Backbone interact. energy: -3.081 local terms energy: -329.273387 where: bonds (distance) C4'-P energy: -57.661 bonds (distance) P-C4' energy: -67.418 flat angles C4'-P-C4' energy: -68.270 flat angles P-C4'-P energy: -47.287 tors. eta vs tors. theta energy: -88.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -1025.971141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.971141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.971141 (E_RNA) where: Base-Base interactions energy: -727.315 where: short stacking energy: -281.058 Base-Backbone interact. energy: -1.113 local terms energy: -297.543331 where: bonds (distance) C4'-P energy: -61.405 bonds (distance) P-C4' energy: -48.368 flat angles C4'-P-C4' energy: -63.901 flat angles P-C4'-P energy: -48.288 tors. eta vs tors. theta energy: -75.581 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: 3 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -942.277968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.277968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.277968 (E_RNA) where: Base-Base interactions energy: -631.886 where: short stacking energy: -274.115 Base-Backbone interact. energy: -0.958 local terms energy: -309.434362 where: bonds (distance) C4'-P energy: -58.212 bonds (distance) P-C4' energy: -62.078 flat angles C4'-P-C4' energy: -64.164 flat angles P-C4'-P energy: -43.901 tors. eta vs tors. theta energy: -81.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -821.761200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.761200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.761200 (E_RNA) where: Base-Base interactions energy: -556.133 where: short stacking energy: -233.655 Base-Backbone interact. energy: -1.876 local terms energy: -263.752002 where: bonds (distance) C4'-P energy: -41.018 bonds (distance) P-C4' energy: -60.042 flat angles C4'-P-C4' energy: -65.499 flat angles P-C4'-P energy: -42.194 tors. eta vs tors. theta energy: -55.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -608.674981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.674981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.674981 (E_RNA) where: Base-Base interactions energy: -357.798 where: short stacking energy: -167.854 Base-Backbone interact. energy: -1.583 local terms energy: -249.293717 where: bonds (distance) C4'-P energy: -54.300 bonds (distance) P-C4' energy: -58.612 flat angles C4'-P-C4' energy: -57.948 flat angles P-C4'-P energy: -41.293 tors. eta vs tors. theta energy: -37.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -596.096449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.096449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.096449 (E_RNA) where: Base-Base interactions energy: -367.604 where: short stacking energy: -181.789 Base-Backbone interact. energy: -0.948 local terms energy: -227.543681 where: bonds (distance) C4'-P energy: -58.371 bonds (distance) P-C4' energy: -51.412 flat angles C4'-P-C4' energy: -45.695 flat angles P-C4'-P energy: -38.557 tors. eta vs tors. theta energy: -33.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -389.015338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -389.015338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -389.015338 (E_RNA) where: Base-Base interactions energy: -195.923 where: short stacking energy: -103.778 Base-Backbone interact. energy: 0.116 local terms energy: -193.208950 where: bonds (distance) C4'-P energy: -47.889 bonds (distance) P-C4' energy: -56.710 flat angles C4'-P-C4' energy: -59.088 flat angles P-C4'-P energy: -29.659 tors. eta vs tors. theta energy: 0.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -369.527794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.527794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.527794 (E_RNA) where: Base-Base interactions energy: -158.155 where: short stacking energy: -97.587 Base-Backbone interact. energy: -0.718 local terms energy: -210.654453 where: bonds (distance) C4'-P energy: -53.947 bonds (distance) P-C4' energy: -64.455 flat angles C4'-P-C4' energy: -50.536 flat angles P-C4'-P energy: -48.633 tors. eta vs tors. theta energy: 6.917 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: 8 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -1123.923892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.923892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.923892 (E_RNA) where: Base-Base interactions energy: -772.775 where: short stacking energy: -336.539 Base-Backbone interact. energy: -4.351 local terms energy: -346.797931 where: bonds (distance) C4'-P energy: -64.586 bonds (distance) P-C4' energy: -69.747 flat angles C4'-P-C4' energy: -71.955 flat angles P-C4'-P energy: -48.307 tors. eta vs tors. theta energy: -92.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -1052.307198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.307198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.307198 (E_RNA) where: Base-Base interactions energy: -702.367 where: short stacking energy: -336.578 Base-Backbone interact. energy: 0.041 local terms energy: -349.981447 where: bonds (distance) C4'-P energy: -57.882 bonds (distance) P-C4' energy: -66.225 flat angles C4'-P-C4' energy: -78.607 flat angles P-C4'-P energy: -48.357 tors. eta vs tors. theta energy: -98.911 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: 1 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -1063.607055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.607055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.607055 (E_RNA) where: Base-Base interactions energy: -732.743 where: short stacking energy: -299.372 Base-Backbone interact. energy: -0.521 local terms energy: -330.343105 where: bonds (distance) C4'-P energy: -59.037 bonds (distance) P-C4' energy: -61.906 flat angles C4'-P-C4' energy: -61.014 flat angles P-C4'-P energy: -57.210 tors. eta vs tors. theta energy: -91.176 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: 4, replica: 10 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -1039.979204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.979204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.979204 (E_RNA) where: Base-Base interactions energy: -756.577 where: short stacking energy: -277.551 Base-Backbone interact. energy: -3.001 local terms energy: -280.400945 where: bonds (distance) C4'-P energy: -57.908 bonds (distance) P-C4' energy: -47.883 flat angles C4'-P-C4' energy: -54.328 flat angles P-C4'-P energy: -41.558 tors. eta vs tors. theta energy: -78.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -907.698358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.698358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.698358 (E_RNA) where: Base-Base interactions energy: -609.340 where: short stacking energy: -251.802 Base-Backbone interact. energy: 1.901 local terms energy: -300.260105 where: bonds (distance) C4'-P energy: -72.526 bonds (distance) P-C4' energy: -64.872 flat angles C4'-P-C4' energy: -53.959 flat angles P-C4'-P energy: -44.092 tors. eta vs tors. theta energy: -64.812 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: 186 Temperature: 1.150000 Total energy: -777.731905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.731905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.731905 (E_RNA) where: Base-Base interactions energy: -496.420 where: short stacking energy: -205.923 Base-Backbone interact. energy: -2.173 local terms energy: -279.138129 where: bonds (distance) C4'-P energy: -66.495 bonds (distance) P-C4' energy: -59.729 flat angles C4'-P-C4' energy: -64.009 flat angles P-C4'-P energy: -43.660 tors. eta vs tors. theta energy: -45.244 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: 7, replica: 2 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -588.530272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -588.530272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -588.530272 (E_RNA) where: Base-Base interactions energy: -360.087 where: short stacking energy: -171.206 Base-Backbone interact. energy: -1.138 local terms energy: -227.305842 where: bonds (distance) C4'-P energy: -54.462 bonds (distance) P-C4' energy: -56.188 flat angles C4'-P-C4' energy: -57.742 flat angles P-C4'-P energy: -30.417 tors. eta vs tors. theta energy: -28.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -598.446887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.446887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.446887 (E_RNA) where: Base-Base interactions energy: -356.451 where: short stacking energy: -159.391 Base-Backbone interact. energy: -1.028 local terms energy: -240.967686 where: bonds (distance) C4'-P energy: -59.047 bonds (distance) P-C4' energy: -57.503 flat angles C4'-P-C4' energy: -60.614 flat angles P-C4'-P energy: -32.748 tors. eta vs tors. theta energy: -31.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -382.629570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -382.629570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -382.629570 (E_RNA) where: Base-Base interactions energy: -186.126 where: short stacking energy: -116.472 Base-Backbone interact. energy: 2.139 local terms energy: -198.642020 where: bonds (distance) C4'-P energy: -49.002 bonds (distance) P-C4' energy: -69.858 flat angles C4'-P-C4' energy: -38.417 flat angles P-C4'-P energy: -31.876 tors. eta vs tors. theta energy: -9.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -364.827448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -364.827448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -364.827448 (E_RNA) where: Base-Base interactions energy: -176.625 where: short stacking energy: -107.888 Base-Backbone interact. energy: -0.836 local terms energy: -187.365766 where: bonds (distance) C4'-P energy: -46.307 bonds (distance) P-C4' energy: -53.465 flat angles C4'-P-C4' energy: -57.092 flat angles P-C4'-P energy: -32.005 tors. eta vs tors. theta energy: 1.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -1124.135659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.135659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.135659 (E_RNA) where: Base-Base interactions energy: -783.962 where: short stacking energy: -334.499 Base-Backbone interact. energy: 0.198 local terms energy: -340.371224 where: bonds (distance) C4'-P energy: -66.948 bonds (distance) P-C4' energy: -64.102 flat angles C4'-P-C4' energy: -66.075 flat angles P-C4'-P energy: -49.069 tors. eta vs tors. theta energy: -94.177 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: 6 ===================================== Write number: 187 Temperature: 0.950000 Total energy: -1061.405602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.405602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.405602 (E_RNA) where: Base-Base interactions energy: -706.233 where: short stacking energy: -304.355 Base-Backbone interact. energy: -0.672 local terms energy: -354.500366 where: bonds (distance) C4'-P energy: -68.571 bonds (distance) P-C4' energy: -73.991 flat angles C4'-P-C4' energy: -63.202 flat angles P-C4'-P energy: -50.694 tors. eta vs tors. theta energy: -98.042 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: 3, replica: 1 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -1053.733825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.733825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.733825 (E_RNA) where: Base-Base interactions energy: -736.831 where: short stacking energy: -294.075 Base-Backbone interact. energy: -0.124 local terms energy: -316.779207 where: bonds (distance) C4'-P energy: -62.681 bonds (distance) P-C4' energy: -57.724 flat angles C4'-P-C4' energy: -68.560 flat angles P-C4'-P energy: -46.179 tors. eta vs tors. theta energy: -81.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -1023.636208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.636208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.636208 (E_RNA) where: Base-Base interactions energy: -715.256 where: short stacking energy: -277.058 Base-Backbone interact. energy: -1.431 local terms energy: -306.949409 where: bonds (distance) C4'-P energy: -62.023 bonds (distance) P-C4' energy: -57.170 flat angles C4'-P-C4' energy: -65.590 flat angles P-C4'-P energy: -43.548 tors. eta vs tors. theta energy: -78.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -896.261442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.261442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.261442 (E_RNA) where: Base-Base interactions energy: -610.149 where: short stacking energy: -257.711 Base-Backbone interact. energy: -1.130 local terms energy: -284.981685 where: bonds (distance) C4'-P energy: -66.474 bonds (distance) P-C4' energy: -55.752 flat angles C4'-P-C4' energy: -71.464 flat angles P-C4'-P energy: -24.567 tors. eta vs tors. theta energy: -66.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -782.664967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.664967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.664967 (E_RNA) where: Base-Base interactions energy: -518.546 where: short stacking energy: -221.339 Base-Backbone interact. energy: 0.368 local terms energy: -264.487461 where: bonds (distance) C4'-P energy: -48.668 bonds (distance) P-C4' energy: -57.863 flat angles C4'-P-C4' energy: -60.597 flat angles P-C4'-P energy: -33.865 tors. eta vs tors. theta energy: -63.495 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: 7, replica: 2 ===================================== Write number: 187 Temperature: 1.200000 Total energy: -665.512564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.512564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.512564 (E_RNA) where: Base-Base interactions energy: -399.783 where: short stacking energy: -189.423 Base-Backbone interact. energy: -0.871 local terms energy: -264.858571 where: bonds (distance) C4'-P energy: -59.244 bonds (distance) P-C4' energy: -68.814 flat angles C4'-P-C4' energy: -61.686 flat angles P-C4'-P energy: -35.678 tors. eta vs tors. theta energy: -39.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -572.385838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.385838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.385838 (E_RNA) where: Base-Base interactions energy: -335.442 where: short stacking energy: -155.731 Base-Backbone interact. energy: 0.470 local terms energy: -237.413293 where: bonds (distance) C4'-P energy: -52.793 bonds (distance) P-C4' energy: -68.896 flat angles C4'-P-C4' energy: -64.189 flat angles P-C4'-P energy: -23.919 tors. eta vs tors. theta energy: -27.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -404.131209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.131209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.131209 (E_RNA) where: Base-Base interactions energy: -226.812 where: short stacking energy: -129.646 Base-Backbone interact. energy: -0.125 local terms energy: -177.193817 where: bonds (distance) C4'-P energy: -53.691 bonds (distance) P-C4' energy: -52.977 flat angles C4'-P-C4' energy: -42.014 flat angles P-C4'-P energy: -22.899 tors. eta vs tors. theta energy: -5.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -373.327505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.327505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.327505 (E_RNA) where: Base-Base interactions energy: -208.248 where: short stacking energy: -112.732 Base-Backbone interact. energy: -2.565 local terms energy: -162.514272 where: bonds (distance) C4'-P energy: -49.304 bonds (distance) P-C4' energy: -46.863 flat angles C4'-P-C4' energy: -36.416 flat angles P-C4'-P energy: -24.587 tors. eta vs tors. theta energy: -5.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -1138.059047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.059047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.059047 (E_RNA) where: Base-Base interactions energy: -780.767 where: short stacking energy: -355.106 Base-Backbone interact. energy: -4.777 local terms energy: -352.514853 where: bonds (distance) C4'-P energy: -57.991 bonds (distance) P-C4' energy: -59.865 flat angles C4'-P-C4' energy: -76.141 flat angles P-C4'-P energy: -49.979 tors. eta vs tors. theta energy: -108.539 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: 6 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -1068.331472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.331472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.331472 (E_RNA) where: Base-Base interactions energy: -712.797 where: short stacking energy: -336.745 Base-Backbone interact. energy: -2.841 local terms energy: -352.692877 where: bonds (distance) C4'-P energy: -57.994 bonds (distance) P-C4' energy: -66.123 flat angles C4'-P-C4' energy: -78.008 flat angles P-C4'-P energy: -47.754 tors. eta vs tors. theta energy: -102.814 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: 1 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -1068.325136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.325136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.325136 (E_RNA) where: Base-Base interactions energy: -737.324 where: short stacking energy: -326.591 Base-Backbone interact. energy: -2.552 local terms energy: -328.449630 where: bonds (distance) C4'-P energy: -52.196 bonds (distance) P-C4' energy: -69.727 flat angles C4'-P-C4' energy: -75.443 flat angles P-C4'-P energy: -42.330 tors. eta vs tors. theta energy: -88.754 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: 10 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -1028.420757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.420757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.420757 (E_RNA) where: Base-Base interactions energy: -698.532 where: short stacking energy: -311.770 Base-Backbone interact. energy: -1.498 local terms energy: -328.390906 where: bonds (distance) C4'-P energy: -66.420 bonds (distance) P-C4' energy: -59.825 flat angles C4'-P-C4' energy: -72.689 flat angles P-C4'-P energy: -38.487 tors. eta vs tors. theta energy: -90.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -881.039366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.039366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.039366 (E_RNA) where: Base-Base interactions energy: -607.832 where: short stacking energy: -264.763 Base-Backbone interact. energy: -1.197 local terms energy: -272.010611 where: bonds (distance) C4'-P energy: -47.641 bonds (distance) P-C4' energy: -62.418 flat angles C4'-P-C4' energy: -63.161 flat angles P-C4'-P energy: -30.724 tors. eta vs tors. theta energy: -68.066 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: 9 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -754.773509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.773509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.773509 (E_RNA) where: Base-Base interactions energy: -497.601 where: short stacking energy: -221.098 Base-Backbone interact. energy: 0.518 local terms energy: -257.689877 where: bonds (distance) C4'-P energy: -46.678 bonds (distance) P-C4' energy: -58.721 flat angles C4'-P-C4' energy: -60.752 flat angles P-C4'-P energy: -44.118 tors. eta vs tors. theta energy: -47.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -617.017271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.017271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.017271 (E_RNA) where: Base-Base interactions energy: -389.465 where: short stacking energy: -175.670 Base-Backbone interact. energy: 2.122 local terms energy: -229.673876 where: bonds (distance) C4'-P energy: -48.188 bonds (distance) P-C4' energy: -65.437 flat angles C4'-P-C4' energy: -52.017 flat angles P-C4'-P energy: -35.290 tors. eta vs tors. theta energy: -28.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -608.985636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.985636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.985636 (E_RNA) where: Base-Base interactions energy: -362.747 where: short stacking energy: -180.387 Base-Backbone interact. energy: 0.989 local terms energy: -247.228267 where: bonds (distance) C4'-P energy: -61.318 bonds (distance) P-C4' energy: -50.480 flat angles C4'-P-C4' energy: -52.988 flat angles P-C4'-P energy: -42.676 tors. eta vs tors. theta energy: -39.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -504.586551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -504.586551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -504.586551 (E_RNA) where: Base-Base interactions energy: -274.809 where: short stacking energy: -134.564 Base-Backbone interact. energy: -0.449 local terms energy: -229.328031 where: bonds (distance) C4'-P energy: -44.680 bonds (distance) P-C4' energy: -65.597 flat angles C4'-P-C4' energy: -59.636 flat angles P-C4'-P energy: -37.281 tors. eta vs tors. theta energy: -22.134 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: 4 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -360.611057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -360.611057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -360.611057 (E_RNA) where: Base-Base interactions energy: -166.372 where: short stacking energy: -113.205 Base-Backbone interact. energy: -1.792 local terms energy: -192.446741 where: bonds (distance) C4'-P energy: -42.741 bonds (distance) P-C4' energy: -62.804 flat angles C4'-P-C4' energy: -41.993 flat angles P-C4'-P energy: -38.316 tors. eta vs tors. theta energy: -6.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -1140.680765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.680765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.680765 (E_RNA) where: Base-Base interactions energy: -792.682 where: short stacking energy: -336.262 Base-Backbone interact. energy: -1.855 local terms energy: -346.143495 where: bonds (distance) C4'-P energy: -66.446 bonds (distance) P-C4' energy: -59.688 flat angles C4'-P-C4' energy: -71.493 flat angles P-C4'-P energy: -55.311 tors. eta vs tors. theta energy: -93.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -1073.596330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.596330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.596330 (E_RNA) where: Base-Base interactions energy: -722.095 where: short stacking energy: -331.155 Base-Backbone interact. energy: -0.291 local terms energy: -351.210728 where: bonds (distance) C4'-P energy: -58.595 bonds (distance) P-C4' energy: -68.738 flat angles C4'-P-C4' energy: -75.445 flat angles P-C4'-P energy: -46.189 tors. eta vs tors. theta energy: -102.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -1069.827261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.827261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.827261 (E_RNA) where: Base-Base interactions energy: -728.787 where: short stacking energy: -297.488 Base-Backbone interact. energy: -3.128 local terms energy: -337.912177 where: bonds (distance) C4'-P energy: -62.550 bonds (distance) P-C4' energy: -65.340 flat angles C4'-P-C4' energy: -71.824 flat angles P-C4'-P energy: -49.500 tors. eta vs tors. theta energy: -88.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -1022.871220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.871220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.871220 (E_RNA) where: Base-Base interactions energy: -704.250 where: short stacking energy: -295.981 Base-Backbone interact. energy: -2.973 local terms energy: -315.648553 where: bonds (distance) C4'-P energy: -54.533 bonds (distance) P-C4' energy: -59.146 flat angles C4'-P-C4' energy: -62.999 flat angles P-C4'-P energy: -49.481 tors. eta vs tors. theta energy: -89.490 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: 189 Temperature: 1.100000 Total energy: -907.520471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.520471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.520471 (E_RNA) where: Base-Base interactions energy: -619.686 where: short stacking energy: -265.983 Base-Backbone interact. energy: -3.396 local terms energy: -284.437747 where: bonds (distance) C4'-P energy: -59.974 bonds (distance) P-C4' energy: -55.323 flat angles C4'-P-C4' energy: -55.134 flat angles P-C4'-P energy: -47.735 tors. eta vs tors. theta energy: -66.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -785.988629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.988629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.988629 (E_RNA) where: Base-Base interactions energy: -501.346 where: short stacking energy: -213.430 Base-Backbone interact. energy: 0.214 local terms energy: -284.856912 where: bonds (distance) C4'-P energy: -68.626 bonds (distance) P-C4' energy: -62.775 flat angles C4'-P-C4' energy: -64.769 flat angles P-C4'-P energy: -40.552 tors. eta vs tors. theta energy: -48.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -641.460310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.460310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.460310 (E_RNA) where: Base-Base interactions energy: -395.137 where: short stacking energy: -189.089 Base-Backbone interact. energy: -0.659 local terms energy: -245.664541 where: bonds (distance) C4'-P energy: -61.119 bonds (distance) P-C4' energy: -61.510 flat angles C4'-P-C4' energy: -50.829 flat angles P-C4'-P energy: -35.909 tors. eta vs tors. theta energy: -36.298 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: 2 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -589.532325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.532325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.532325 (E_RNA) where: Base-Base interactions energy: -379.383 where: short stacking energy: -183.411 Base-Backbone interact. energy: 1.014 local terms energy: -211.163783 where: bonds (distance) C4'-P energy: -46.448 bonds (distance) P-C4' energy: -50.712 flat angles C4'-P-C4' energy: -53.122 flat angles P-C4'-P energy: -31.834 tors. eta vs tors. theta energy: -29.048 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: 9, replica: 5 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -566.351513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.351513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.351513 (E_RNA) where: Base-Base interactions energy: -350.170 where: short stacking energy: -150.507 Base-Backbone interact. energy: -2.633 local terms energy: -213.547923 where: bonds (distance) C4'-P energy: -63.741 bonds (distance) P-C4' energy: -56.312 flat angles C4'-P-C4' energy: -50.727 flat angles P-C4'-P energy: -18.925 tors. eta vs tors. theta energy: -23.843 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: 10, replica: 4 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -264.160065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -264.160065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -264.160065 (E_RNA) where: Base-Base interactions energy: -84.985 where: short stacking energy: -82.342 Base-Backbone interact. energy: 3.380 local terms energy: -182.555026 where: bonds (distance) C4'-P energy: -53.355 bonds (distance) P-C4' energy: -57.846 flat angles C4'-P-C4' energy: -55.426 flat angles P-C4'-P energy: -21.676 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: 8 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -1135.575432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.575432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.575432 (E_RNA) where: Base-Base interactions energy: -779.187 where: short stacking energy: -353.853 Base-Backbone interact. energy: -1.989 local terms energy: -354.399102 where: bonds (distance) C4'-P energy: -65.448 bonds (distance) P-C4' energy: -68.167 flat angles C4'-P-C4' energy: -72.169 flat angles P-C4'-P energy: -45.989 tors. eta vs tors. theta energy: -102.625 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: 6 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -1066.711423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.711423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.711423 (E_RNA) where: Base-Base interactions energy: -716.157 where: short stacking energy: -323.612 Base-Backbone interact. energy: -1.267 local terms energy: -349.287669 where: bonds (distance) C4'-P energy: -61.730 bonds (distance) P-C4' energy: -70.253 flat angles C4'-P-C4' energy: -72.827 flat angles P-C4'-P energy: -43.467 tors. eta vs tors. theta energy: -101.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -1086.800986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.800986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.800986 (E_RNA) where: Base-Base interactions energy: -772.377 where: short stacking energy: -300.598 Base-Backbone interact. energy: -2.168 local terms energy: -312.256092 where: bonds (distance) C4'-P energy: -52.794 bonds (distance) P-C4' energy: -64.258 flat angles C4'-P-C4' energy: -68.377 flat angles P-C4'-P energy: -43.431 tors. eta vs tors. theta energy: -83.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -1058.300473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.300473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.300473 (E_RNA) where: Base-Base interactions energy: -717.240 where: short stacking energy: -304.155 Base-Backbone interact. energy: -3.736 local terms energy: -337.324723 where: bonds (distance) C4'-P energy: -64.007 bonds (distance) P-C4' energy: -68.446 flat angles C4'-P-C4' energy: -64.665 flat angles P-C4'-P energy: -54.161 tors. eta vs tors. theta energy: -86.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -828.860947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.860947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.860947 (E_RNA) where: Base-Base interactions energy: -562.676 where: short stacking energy: -230.251 Base-Backbone interact. energy: -2.053 local terms energy: -264.132714 where: bonds (distance) C4'-P energy: -65.410 bonds (distance) P-C4' energy: -59.361 flat angles C4'-P-C4' energy: -61.984 flat angles P-C4'-P energy: -26.103 tors. eta vs tors. theta energy: -51.275 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: 3 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -806.630558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.630558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.630558 (E_RNA) where: Base-Base interactions energy: -546.442 where: short stacking energy: -241.626 Base-Backbone interact. energy: -0.871 local terms energy: -259.318080 where: bonds (distance) C4'-P energy: -54.914 bonds (distance) P-C4' energy: -57.106 flat angles C4'-P-C4' energy: -65.397 flat angles P-C4'-P energy: -32.322 tors. eta vs tors. theta energy: -49.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -613.131351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.131351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.131351 (E_RNA) where: Base-Base interactions energy: -365.045 where: short stacking energy: -195.436 Base-Backbone interact. energy: -0.385 local terms energy: -247.700645 where: bonds (distance) C4'-P energy: -59.531 bonds (distance) P-C4' energy: -56.509 flat angles C4'-P-C4' energy: -64.299 flat angles P-C4'-P energy: -35.726 tors. eta vs tors. theta energy: -31.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -543.544922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.544922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.544922 (E_RNA) where: Base-Base interactions energy: -324.726 where: short stacking energy: -177.569 Base-Backbone interact. energy: 0.890 local terms energy: -219.708701 where: bonds (distance) C4'-P energy: -57.845 bonds (distance) P-C4' energy: -43.467 flat angles C4'-P-C4' energy: -58.467 flat angles P-C4'-P energy: -27.310 tors. eta vs tors. theta energy: -32.620 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: 9, replica: 5 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -586.306864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.306864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.306864 (E_RNA) where: Base-Base interactions energy: -357.362 where: short stacking energy: -167.685 Base-Backbone interact. energy: -0.485 local terms energy: -228.459869 where: bonds (distance) C4'-P energy: -41.915 bonds (distance) P-C4' energy: -58.631 flat angles C4'-P-C4' energy: -67.609 flat angles P-C4'-P energy: -33.318 tors. eta vs tors. theta energy: -26.988 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: 4 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -271.165577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -271.165577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -271.165577 (E_RNA) where: Base-Base interactions energy: -85.816 where: short stacking energy: -77.749 Base-Backbone interact. energy: -1.035 local terms energy: -184.314556 where: bonds (distance) C4'-P energy: -45.948 bonds (distance) P-C4' energy: -46.803 flat angles C4'-P-C4' energy: -60.637 flat angles P-C4'-P energy: -35.135 tors. eta vs tors. theta energy: 4.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -1142.263541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.263541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.263541 (E_RNA) where: Base-Base interactions energy: -784.084 where: short stacking energy: -330.524 Base-Backbone interact. energy: -2.572 local terms energy: -355.608327 where: bonds (distance) C4'-P energy: -65.088 bonds (distance) P-C4' energy: -66.644 flat angles C4'-P-C4' energy: -77.024 flat angles P-C4'-P energy: -53.408 tors. eta vs tors. theta energy: -93.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -1083.953946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.953946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.953946 (E_RNA) where: Base-Base interactions energy: -748.488 where: short stacking energy: -307.597 Base-Backbone interact. energy: -2.777 local terms energy: -332.689803 where: bonds (distance) C4'-P energy: -60.800 bonds (distance) P-C4' energy: -66.369 flat angles C4'-P-C4' energy: -69.696 flat angles P-C4'-P energy: -52.035 tors. eta vs tors. theta energy: -83.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -1038.448242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.448242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.448242 (E_RNA) where: Base-Base interactions energy: -682.111 where: short stacking energy: -313.561 Base-Backbone interact. energy: -1.535 local terms energy: -354.802314 where: bonds (distance) C4'-P energy: -66.775 bonds (distance) P-C4' energy: -67.236 flat angles C4'-P-C4' energy: -79.228 flat angles P-C4'-P energy: -52.957 tors. eta vs tors. theta energy: -88.606 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: 1 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -1057.001996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.001996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.001996 (E_RNA) where: Base-Base interactions energy: -710.879 where: short stacking energy: -302.300 Base-Backbone interact. energy: -1.847 local terms energy: -344.276475 where: bonds (distance) C4'-P energy: -69.490 bonds (distance) P-C4' energy: -62.411 flat angles C4'-P-C4' energy: -76.132 flat angles P-C4'-P energy: -47.813 tors. eta vs tors. theta energy: -88.431 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: 9 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -913.971499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.971499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.971499 (E_RNA) where: Base-Base interactions energy: -623.349 where: short stacking energy: -271.274 Base-Backbone interact. energy: -1.004 local terms energy: -289.618322 where: bonds (distance) C4'-P energy: -58.774 bonds (distance) P-C4' energy: -51.932 flat angles C4'-P-C4' energy: -67.181 flat angles P-C4'-P energy: -45.709 tors. eta vs tors. theta energy: -66.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -766.058815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.058815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.058815 (E_RNA) where: Base-Base interactions energy: -500.681 where: short stacking energy: -206.951 Base-Backbone interact. energy: -2.456 local terms energy: -262.921387 where: bonds (distance) C4'-P energy: -54.633 bonds (distance) P-C4' energy: -52.187 flat angles C4'-P-C4' energy: -64.351 flat angles P-C4'-P energy: -42.882 tors. eta vs tors. theta energy: -48.869 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: 7 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -616.073577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.073577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.073577 (E_RNA) where: Base-Base interactions energy: -372.995 where: short stacking energy: -195.842 Base-Backbone interact. energy: -1.745 local terms energy: -241.333374 where: bonds (distance) C4'-P energy: -48.142 bonds (distance) P-C4' energy: -61.269 flat angles C4'-P-C4' energy: -57.728 flat angles P-C4'-P energy: -35.692 tors. eta vs tors. theta energy: -38.501 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: 191 Temperature: 1.250000 Total energy: -564.557025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.557025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.557025 (E_RNA) where: Base-Base interactions energy: -322.712 where: short stacking energy: -157.884 Base-Backbone interact. energy: -3.540 local terms energy: -238.305500 where: bonds (distance) C4'-P energy: -58.395 bonds (distance) P-C4' energy: -55.206 flat angles C4'-P-C4' energy: -55.876 flat angles P-C4'-P energy: -33.626 tors. eta vs tors. theta energy: -35.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -569.906408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -569.906408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -569.906408 (E_RNA) where: Base-Base interactions energy: -350.359 where: short stacking energy: -162.020 Base-Backbone interact. energy: -0.837 local terms energy: -218.711381 where: bonds (distance) C4'-P energy: -43.718 bonds (distance) P-C4' energy: -62.140 flat angles C4'-P-C4' energy: -57.546 flat angles P-C4'-P energy: -24.683 tors. eta vs tors. theta energy: -30.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -267.432481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -267.432481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -267.432481 (E_RNA) where: Base-Base interactions energy: -93.985 where: short stacking energy: -81.978 Base-Backbone interact. energy: 2.783 local terms energy: -176.230383 where: bonds (distance) C4'-P energy: -45.632 bonds (distance) P-C4' energy: -59.573 flat angles C4'-P-C4' energy: -60.644 flat angles P-C4'-P energy: -19.246 tors. eta vs tors. theta energy: 8.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -1119.116321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.116321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.116321 (E_RNA) where: Base-Base interactions energy: -782.625 where: short stacking energy: -332.694 Base-Backbone interact. energy: 0.139 local terms energy: -336.630343 where: bonds (distance) C4'-P energy: -66.991 bonds (distance) P-C4' energy: -66.110 flat angles C4'-P-C4' energy: -71.981 flat angles P-C4'-P energy: -40.197 tors. eta vs tors. theta energy: -91.352 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: 10 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -1103.413429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.413429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.413429 (E_RNA) where: Base-Base interactions energy: -774.730 where: short stacking energy: -313.484 Base-Backbone interact. energy: 0.110 local terms energy: -328.793078 where: bonds (distance) C4'-P energy: -55.374 bonds (distance) P-C4' energy: -65.085 flat angles C4'-P-C4' energy: -77.311 flat angles P-C4'-P energy: -44.620 tors. eta vs tors. theta energy: -86.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -1015.947612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.947612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.947612 (E_RNA) where: Base-Base interactions energy: -678.233 where: short stacking energy: -302.165 Base-Backbone interact. energy: -1.362 local terms energy: -336.352492 where: bonds (distance) C4'-P energy: -52.461 bonds (distance) P-C4' energy: -73.300 flat angles C4'-P-C4' energy: -81.094 flat angles P-C4'-P energy: -43.007 tors. eta vs tors. theta energy: -86.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -1022.247260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.247260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.247260 (E_RNA) where: Base-Base interactions energy: -713.717 where: short stacking energy: -305.477 Base-Backbone interact. energy: -0.125 local terms energy: -308.405298 where: bonds (distance) C4'-P energy: -54.886 bonds (distance) P-C4' energy: -62.908 flat angles C4'-P-C4' energy: -66.380 flat angles P-C4'-P energy: -41.761 tors. eta vs tors. theta energy: -82.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -912.694178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.694178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.694178 (E_RNA) where: Base-Base interactions energy: -598.402 where: short stacking energy: -228.189 Base-Backbone interact. energy: -1.256 local terms energy: -313.036154 where: bonds (distance) C4'-P energy: -56.853 bonds (distance) P-C4' energy: -73.471 flat angles C4'-P-C4' energy: -72.008 flat angles P-C4'-P energy: -46.122 tors. eta vs tors. theta energy: -64.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -786.766442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.766442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.766442 (E_RNA) where: Base-Base interactions energy: -527.131 where: short stacking energy: -241.907 Base-Backbone interact. energy: 0.627 local terms energy: -260.262977 where: bonds (distance) C4'-P energy: -63.481 bonds (distance) P-C4' energy: -64.366 flat angles C4'-P-C4' energy: -54.548 flat angles P-C4'-P energy: -31.947 tors. eta vs tors. theta energy: -45.920 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: 7 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -644.249989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.249989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.249989 (E_RNA) where: Base-Base interactions energy: -407.411 where: short stacking energy: -212.375 Base-Backbone interact. energy: -1.044 local terms energy: -235.795070 where: bonds (distance) C4'-P energy: -40.899 bonds (distance) P-C4' energy: -55.705 flat angles C4'-P-C4' energy: -65.683 flat angles P-C4'-P energy: -36.449 tors. eta vs tors. theta energy: -37.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -587.004437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.004437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.004437 (E_RNA) where: Base-Base interactions energy: -338.993 where: short stacking energy: -173.621 Base-Backbone interact. energy: -2.849 local terms energy: -245.162404 where: bonds (distance) C4'-P energy: -57.677 bonds (distance) P-C4' energy: -54.138 flat angles C4'-P-C4' energy: -63.573 flat angles P-C4'-P energy: -32.255 tors. eta vs tors. theta energy: -37.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -506.504988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.504988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.504988 (E_RNA) where: Base-Base interactions energy: -276.473 where: short stacking energy: -140.555 Base-Backbone interact. energy: -1.339 local terms energy: -228.693301 where: bonds (distance) C4'-P energy: -49.124 bonds (distance) P-C4' energy: -64.925 flat angles C4'-P-C4' energy: -64.285 flat angles P-C4'-P energy: -28.048 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: 10, replica: 4 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -270.484905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.484905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.484905 (E_RNA) where: Base-Base interactions energy: -88.271 where: short stacking energy: -77.737 Base-Backbone interact. energy: 1.606 local terms energy: -183.820003 where: bonds (distance) C4'-P energy: -54.925 bonds (distance) P-C4' energy: -67.832 flat angles C4'-P-C4' energy: -55.000 flat angles P-C4'-P energy: -13.655 tors. eta vs tors. theta energy: 7.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -1127.496931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.496931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.496931 (E_RNA) where: Base-Base interactions energy: -761.811 where: short stacking energy: -339.502 Base-Backbone interact. energy: -2.635 local terms energy: -363.050698 where: bonds (distance) C4'-P energy: -63.024 bonds (distance) P-C4' energy: -70.151 flat angles C4'-P-C4' energy: -75.009 flat angles P-C4'-P energy: -57.863 tors. eta vs tors. theta energy: -97.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -1112.577208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.577208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.577208 (E_RNA) where: Base-Base interactions energy: -807.298 where: short stacking energy: -315.701 Base-Backbone interact. energy: -2.210 local terms energy: -303.068861 where: bonds (distance) C4'-P energy: -49.001 bonds (distance) P-C4' energy: -57.544 flat angles C4'-P-C4' energy: -75.614 flat angles P-C4'-P energy: -43.386 tors. eta vs tors. theta energy: -77.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -1003.233229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.233229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.233229 (E_RNA) where: Base-Base interactions energy: -671.633 where: short stacking energy: -319.580 Base-Backbone interact. energy: -0.916 local terms energy: -330.683983 where: bonds (distance) C4'-P energy: -58.188 bonds (distance) P-C4' energy: -70.597 flat angles C4'-P-C4' energy: -66.855 flat angles P-C4'-P energy: -43.086 tors. eta vs tors. theta energy: -91.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -1017.768079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.768079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.768079 (E_RNA) where: Base-Base interactions energy: -710.178 where: short stacking energy: -282.138 Base-Backbone interact. energy: -1.889 local terms energy: -305.701032 where: bonds (distance) C4'-P energy: -57.241 bonds (distance) P-C4' energy: -59.493 flat angles C4'-P-C4' energy: -64.195 flat angles P-C4'-P energy: -48.227 tors. eta vs tors. theta energy: -76.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -910.523784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.523784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.523784 (E_RNA) where: Base-Base interactions energy: -622.205 where: short stacking energy: -273.413 Base-Backbone interact. energy: -2.893 local terms energy: -285.425564 where: bonds (distance) C4'-P energy: -59.889 bonds (distance) P-C4' energy: -64.657 flat angles C4'-P-C4' energy: -53.238 flat angles P-C4'-P energy: -42.483 tors. eta vs tors. theta energy: -65.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -766.910398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.910398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.910398 (E_RNA) where: Base-Base interactions energy: -500.986 where: short stacking energy: -229.725 Base-Backbone interact. energy: 1.716 local terms energy: -267.640126 where: bonds (distance) C4'-P energy: -50.061 bonds (distance) P-C4' energy: -62.845 flat angles C4'-P-C4' energy: -57.362 flat angles P-C4'-P energy: -46.900 tors. eta vs tors. theta energy: -50.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -613.015883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.015883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.015883 (E_RNA) where: Base-Base interactions energy: -362.628 where: short stacking energy: -175.993 Base-Backbone interact. energy: -0.641 local terms energy: -249.746897 where: bonds (distance) C4'-P energy: -57.839 bonds (distance) P-C4' energy: -69.318 flat angles C4'-P-C4' energy: -63.460 flat angles P-C4'-P energy: -29.722 tors. eta vs tors. theta energy: -29.408 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: 2 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -594.351642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.351642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.351642 (E_RNA) where: Base-Base interactions energy: -333.145 where: short stacking energy: -175.156 Base-Backbone interact. energy: -4.450 local terms energy: -256.757161 where: bonds (distance) C4'-P energy: -57.422 bonds (distance) P-C4' energy: -60.217 flat angles C4'-P-C4' energy: -63.527 flat angles P-C4'-P energy: -44.721 tors. eta vs tors. theta energy: -30.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -509.453220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.453220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.453220 (E_RNA) where: Base-Base interactions energy: -299.812 where: short stacking energy: -148.044 Base-Backbone interact. energy: 0.874 local terms energy: -210.515175 where: bonds (distance) C4'-P energy: -56.918 bonds (distance) P-C4' energy: -54.592 flat angles C4'-P-C4' energy: -46.047 flat angles P-C4'-P energy: -42.698 tors. eta vs tors. theta energy: -10.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -283.725511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -283.725511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -283.725511 (E_RNA) where: Base-Base interactions energy: -118.916 where: short stacking energy: -80.094 Base-Backbone interact. energy: -0.376 local terms energy: -164.433164 where: bonds (distance) C4'-P energy: -46.139 bonds (distance) P-C4' energy: -55.041 flat angles C4'-P-C4' energy: -41.448 flat angles P-C4'-P energy: -24.270 tors. eta vs tors. theta energy: 2.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -1148.288033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.288033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.288033 (E_RNA) where: Base-Base interactions energy: -779.007 where: short stacking energy: -355.790 Base-Backbone interact. energy: -4.810 local terms energy: -364.471238 where: bonds (distance) C4'-P energy: -62.253 bonds (distance) P-C4' energy: -66.550 flat angles C4'-P-C4' energy: -74.522 flat angles P-C4'-P energy: -58.642 tors. eta vs tors. theta energy: -102.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -1121.752518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.752518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.752518 (E_RNA) where: Base-Base interactions energy: -775.554 where: short stacking energy: -321.254 Base-Backbone interact. energy: 0.597 local terms energy: -346.795486 where: bonds (distance) C4'-P energy: -66.493 bonds (distance) P-C4' energy: -71.016 flat angles C4'-P-C4' energy: -73.352 flat angles P-C4'-P energy: -50.540 tors. eta vs tors. theta energy: -85.394 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: 6 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -1039.777650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.777650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.777650 (E_RNA) where: Base-Base interactions energy: -695.332 where: short stacking energy: -311.571 Base-Backbone interact. energy: -0.582 local terms energy: -343.863668 where: bonds (distance) C4'-P energy: -71.467 bonds (distance) P-C4' energy: -61.551 flat angles C4'-P-C4' energy: -71.383 flat angles P-C4'-P energy: -43.121 tors. eta vs tors. theta energy: -96.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -1020.618647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.618647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.618647 (E_RNA) where: Base-Base interactions energy: -693.511 where: short stacking energy: -278.523 Base-Backbone interact. energy: -1.569 local terms energy: -325.538976 where: bonds (distance) C4'-P energy: -65.505 bonds (distance) P-C4' energy: -69.465 flat angles C4'-P-C4' energy: -66.147 flat angles P-C4'-P energy: -40.985 tors. eta vs tors. theta energy: -83.437 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: 9 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -929.117266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.117266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.117266 (E_RNA) where: Base-Base interactions energy: -641.570 where: short stacking energy: -261.433 Base-Backbone interact. energy: -2.851 local terms energy: -284.696366 where: bonds (distance) C4'-P energy: -64.459 bonds (distance) P-C4' energy: -57.694 flat angles C4'-P-C4' energy: -54.831 flat angles P-C4'-P energy: -40.821 tors. eta vs tors. theta energy: -66.892 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: 3 ===================================== Write number: 194 Temperature: 1.150000 Total energy: -745.714104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.714104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.714104 (E_RNA) where: Base-Base interactions energy: -516.439 where: short stacking energy: -214.958 Base-Backbone interact. energy: 4.135 local terms energy: -233.410261 where: bonds (distance) C4'-P energy: -40.051 bonds (distance) P-C4' energy: -57.364 flat angles C4'-P-C4' energy: -61.829 flat angles P-C4'-P energy: -26.490 tors. eta vs tors. theta energy: -47.676 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: 7 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -610.136347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.136347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.136347 (E_RNA) where: Base-Base interactions energy: -352.231 where: short stacking energy: -176.935 Base-Backbone interact. energy: 0.314 local terms energy: -258.219097 where: bonds (distance) C4'-P energy: -64.220 bonds (distance) P-C4' energy: -53.153 flat angles C4'-P-C4' energy: -50.892 flat angles P-C4'-P energy: -46.630 tors. eta vs tors. theta energy: -43.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -579.763143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.763143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.763143 (E_RNA) where: Base-Base interactions energy: -341.375 where: short stacking energy: -153.659 Base-Backbone interact. energy: 1.166 local terms energy: -239.555026 where: bonds (distance) C4'-P energy: -59.077 bonds (distance) P-C4' energy: -64.265 flat angles C4'-P-C4' energy: -55.620 flat angles P-C4'-P energy: -37.473 tors. eta vs tors. theta energy: -23.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -540.971791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.971791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.971791 (E_RNA) where: Base-Base interactions energy: -319.972 where: short stacking energy: -159.097 Base-Backbone interact. energy: -2.197 local terms energy: -218.803222 where: bonds (distance) C4'-P energy: -54.874 bonds (distance) P-C4' energy: -44.834 flat angles C4'-P-C4' energy: -61.582 flat angles P-C4'-P energy: -22.835 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: 4 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -281.890657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.890657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.890657 (E_RNA) where: Base-Base interactions energy: -86.015 where: short stacking energy: -65.031 Base-Backbone interact. energy: -1.253 local terms energy: -194.622203 where: bonds (distance) C4'-P energy: -54.887 bonds (distance) P-C4' energy: -60.391 flat angles C4'-P-C4' energy: -58.632 flat angles P-C4'-P energy: -22.244 tors. eta vs tors. theta energy: 1.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -1126.393901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.393901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.393901 (E_RNA) where: Base-Base interactions energy: -779.448 where: short stacking energy: -347.814 Base-Backbone interact. energy: 0.713 local terms energy: -347.658348 where: bonds (distance) C4'-P energy: -66.957 bonds (distance) P-C4' energy: -58.857 flat angles C4'-P-C4' energy: -73.987 flat angles P-C4'-P energy: -49.962 tors. eta vs tors. theta energy: -97.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -1128.791693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.791693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.791693 (E_RNA) where: Base-Base interactions energy: -794.779 where: short stacking energy: -312.762 Base-Backbone interact. energy: 1.931 local terms energy: -335.944507 where: bonds (distance) C4'-P energy: -65.906 bonds (distance) P-C4' energy: -63.237 flat angles C4'-P-C4' energy: -72.808 flat angles P-C4'-P energy: -52.394 tors. eta vs tors. theta energy: -81.600 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: 6 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -1047.740403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.740403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.740403 (E_RNA) where: Base-Base interactions energy: -708.647 where: short stacking energy: -327.249 Base-Backbone interact. energy: -1.073 local terms energy: -338.020069 where: bonds (distance) C4'-P energy: -53.762 bonds (distance) P-C4' energy: -69.158 flat angles C4'-P-C4' energy: -69.643 flat angles P-C4'-P energy: -42.853 tors. eta vs tors. theta energy: -102.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -1039.515627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.515627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.515627 (E_RNA) where: Base-Base interactions energy: -709.819 where: short stacking energy: -285.641 Base-Backbone interact. energy: -2.187 local terms energy: -327.509336 where: bonds (distance) C4'-P energy: -61.800 bonds (distance) P-C4' energy: -64.326 flat angles C4'-P-C4' energy: -75.830 flat angles P-C4'-P energy: -47.015 tors. eta vs tors. theta energy: -78.539 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: 9 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -929.782669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.782669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.782669 (E_RNA) where: Base-Base interactions energy: -651.781 where: short stacking energy: -277.626 Base-Backbone interact. energy: -1.890 local terms energy: -276.110951 where: bonds (distance) C4'-P energy: -52.792 bonds (distance) P-C4' energy: -62.700 flat angles C4'-P-C4' energy: -53.595 flat angles P-C4'-P energy: -38.093 tors. eta vs tors. theta energy: -68.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -798.847538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.847538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.847538 (E_RNA) where: Base-Base interactions energy: -518.143 where: short stacking energy: -233.889 Base-Backbone interact. energy: -3.403 local terms energy: -277.301971 where: bonds (distance) C4'-P energy: -58.804 bonds (distance) P-C4' energy: -54.616 flat angles C4'-P-C4' energy: -70.514 flat angles P-C4'-P energy: -39.116 tors. eta vs tors. theta energy: -54.252 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: 7, replica: 7 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -603.767885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.767885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.767885 (E_RNA) where: Base-Base interactions energy: -356.425 where: short stacking energy: -180.200 Base-Backbone interact. energy: -1.622 local terms energy: -245.720460 where: bonds (distance) C4'-P energy: -49.499 bonds (distance) P-C4' energy: -57.156 flat angles C4'-P-C4' energy: -68.937 flat angles P-C4'-P energy: -30.816 tors. eta vs tors. theta energy: -39.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -548.231440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.231440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.231440 (E_RNA) where: Base-Base interactions energy: -319.555 where: short stacking energy: -172.600 Base-Backbone interact. energy: -1.336 local terms energy: -227.340048 where: bonds (distance) C4'-P energy: -57.044 bonds (distance) P-C4' energy: -56.052 flat angles C4'-P-C4' energy: -53.235 flat angles P-C4'-P energy: -39.370 tors. eta vs tors. theta energy: -21.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -535.582372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.582372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.582372 (E_RNA) where: Base-Base interactions energy: -340.772 where: short stacking energy: -152.552 Base-Backbone interact. energy: -0.464 local terms energy: -194.347065 where: bonds (distance) C4'-P energy: -46.830 bonds (distance) P-C4' energy: -48.531 flat angles C4'-P-C4' energy: -46.774 flat angles P-C4'-P energy: -29.512 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: 10, replica: 4 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -282.531358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.531358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.531358 (E_RNA) where: Base-Base interactions energy: -80.124 where: short stacking energy: -75.132 Base-Backbone interact. energy: 1.809 local terms energy: -204.216648 where: bonds (distance) C4'-P energy: -62.404 bonds (distance) P-C4' energy: -58.083 flat angles C4'-P-C4' energy: -48.427 flat angles P-C4'-P energy: -37.144 tors. eta vs tors. theta energy: 1.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -1137.874210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.874210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.874210 (E_RNA) where: Base-Base interactions energy: -779.184 where: short stacking energy: -340.302 Base-Backbone interact. energy: -1.339 local terms energy: -357.351299 where: bonds (distance) C4'-P energy: -63.170 bonds (distance) P-C4' energy: -72.121 flat angles C4'-P-C4' energy: -71.086 flat angles P-C4'-P energy: -48.344 tors. eta vs tors. theta energy: -102.630 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: 10 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -1112.826096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.826096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.826096 (E_RNA) where: Base-Base interactions energy: -779.006 where: short stacking energy: -310.617 Base-Backbone interact. energy: -1.711 local terms energy: -332.108360 where: bonds (distance) C4'-P energy: -69.001 bonds (distance) P-C4' energy: -70.475 flat angles C4'-P-C4' energy: -66.156 flat angles P-C4'-P energy: -39.734 tors. eta vs tors. theta energy: -86.743 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: 6 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -1031.873676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.873676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.873676 (E_RNA) where: Base-Base interactions energy: -695.208 where: short stacking energy: -319.840 Base-Backbone interact. energy: -0.841 local terms energy: -335.824737 where: bonds (distance) C4'-P energy: -61.666 bonds (distance) P-C4' energy: -61.301 flat angles C4'-P-C4' energy: -69.617 flat angles P-C4'-P energy: -47.627 tors. eta vs tors. theta energy: -95.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -1023.268477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.268477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.268477 (E_RNA) where: Base-Base interactions energy: -718.012 where: short stacking energy: -295.589 Base-Backbone interact. energy: -1.380 local terms energy: -303.876746 where: bonds (distance) C4'-P energy: -58.036 bonds (distance) P-C4' energy: -48.909 flat angles C4'-P-C4' energy: -73.382 flat angles P-C4'-P energy: -44.782 tors. eta vs tors. theta energy: -78.767 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: 196 Temperature: 1.100000 Total energy: -964.194523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.194523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.194523 (E_RNA) where: Base-Base interactions energy: -659.977 where: short stacking energy: -265.407 Base-Backbone interact. energy: -1.583 local terms energy: -302.634450 where: bonds (distance) C4'-P energy: -59.300 bonds (distance) P-C4' energy: -63.500 flat angles C4'-P-C4' energy: -65.998 flat angles P-C4'-P energy: -48.844 tors. eta vs tors. theta energy: -64.993 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: 196 Temperature: 1.150000 Total energy: -783.152812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.152812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.152812 (E_RNA) where: Base-Base interactions energy: -521.333 where: short stacking energy: -222.339 Base-Backbone interact. energy: -0.961 local terms energy: -260.859240 where: bonds (distance) C4'-P energy: -57.883 bonds (distance) P-C4' energy: -56.138 flat angles C4'-P-C4' energy: -60.946 flat angles P-C4'-P energy: -34.270 tors. eta vs tors. theta energy: -51.623 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: 5 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -591.228126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.228126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.228126 (E_RNA) where: Base-Base interactions energy: -336.408 where: short stacking energy: -175.223 Base-Backbone interact. energy: -1.511 local terms energy: -253.309038 where: bonds (distance) C4'-P energy: -50.198 bonds (distance) P-C4' energy: -55.894 flat angles C4'-P-C4' energy: -60.995 flat angles P-C4'-P energy: -41.479 tors. eta vs tors. theta energy: -44.743 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: 8, replica: 7 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -591.400721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.400721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.400721 (E_RNA) where: Base-Base interactions energy: -359.956 where: short stacking energy: -173.223 Base-Backbone interact. energy: -1.535 local terms energy: -229.910406 where: bonds (distance) C4'-P energy: -51.819 bonds (distance) P-C4' energy: -67.380 flat angles C4'-P-C4' energy: -53.445 flat angles P-C4'-P energy: -24.728 tors. eta vs tors. theta energy: -32.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -511.725470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.725470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.725470 (E_RNA) where: Base-Base interactions energy: -292.445 where: short stacking energy: -125.520 Base-Backbone interact. energy: -2.470 local terms energy: -216.810580 where: bonds (distance) C4'-P energy: -45.966 bonds (distance) P-C4' energy: -55.662 flat angles C4'-P-C4' energy: -52.057 flat angles P-C4'-P energy: -40.495 tors. eta vs tors. theta energy: -22.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -273.231874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -273.231874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -273.231874 (E_RNA) where: Base-Base interactions energy: -92.874 where: short stacking energy: -67.341 Base-Backbone interact. energy: -1.300 local terms energy: -179.058026 where: bonds (distance) C4'-P energy: -63.362 bonds (distance) P-C4' energy: -61.513 flat angles C4'-P-C4' energy: -47.678 flat angles P-C4'-P energy: -11.449 tors. eta vs tors. theta energy: 4.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -1123.737033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.737033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.737033 (E_RNA) where: Base-Base interactions energy: -767.726 where: short stacking energy: -346.652 Base-Backbone interact. energy: -1.782 local terms energy: -354.229836 where: bonds (distance) C4'-P energy: -70.785 bonds (distance) P-C4' energy: -68.601 flat angles C4'-P-C4' energy: -76.896 flat angles P-C4'-P energy: -43.770 tors. eta vs tors. theta energy: -94.178 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: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -1118.777335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.777335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.777335 (E_RNA) where: Base-Base interactions energy: -771.349 where: short stacking energy: -297.831 Base-Backbone interact. energy: -2.454 local terms energy: -344.973559 where: bonds (distance) C4'-P energy: -69.659 bonds (distance) P-C4' energy: -68.617 flat angles C4'-P-C4' energy: -77.747 flat angles P-C4'-P energy: -46.538 tors. eta vs tors. theta energy: -82.412 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: 6 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -1026.221800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.221800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.221800 (E_RNA) where: Base-Base interactions energy: -688.521 where: short stacking energy: -339.483 Base-Backbone interact. energy: -0.193 local terms energy: -337.507358 where: bonds (distance) C4'-P energy: -57.029 bonds (distance) P-C4' energy: -60.171 flat angles C4'-P-C4' energy: -74.420 flat angles P-C4'-P energy: -44.069 tors. eta vs tors. theta energy: -101.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -1045.396426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1045.396426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1045.396426 (E_RNA) where: Base-Base interactions energy: -722.969 where: short stacking energy: -293.552 Base-Backbone interact. energy: -1.454 local terms energy: -320.973308 where: bonds (distance) C4'-P energy: -50.397 bonds (distance) P-C4' energy: -67.841 flat angles C4'-P-C4' energy: -68.652 flat angles P-C4'-P energy: -52.618 tors. eta vs tors. theta energy: -81.466 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: 9 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -983.029643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.029643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.029643 (E_RNA) where: Base-Base interactions energy: -691.109 where: short stacking energy: -264.043 Base-Backbone interact. energy: -0.143 local terms energy: -291.778147 where: bonds (distance) C4'-P energy: -43.252 bonds (distance) P-C4' energy: -68.718 flat angles C4'-P-C4' energy: -58.604 flat angles P-C4'-P energy: -45.996 tors. eta vs tors. theta energy: -75.208 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: 6, replica: 3 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -809.814458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.814458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.814458 (E_RNA) where: Base-Base interactions energy: -534.595 where: short stacking energy: -236.270 Base-Backbone interact. energy: -2.356 local terms energy: -272.863516 where: bonds (distance) C4'-P energy: -51.941 bonds (distance) P-C4' energy: -65.091 flat angles C4'-P-C4' energy: -71.918 flat angles P-C4'-P energy: -28.861 tors. eta vs tors. theta energy: -55.053 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: 5 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -562.733544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.733544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.733544 (E_RNA) where: Base-Base interactions energy: -356.427 where: short stacking energy: -168.773 Base-Backbone interact. energy: -1.105 local terms energy: -205.201753 where: bonds (distance) C4'-P energy: -46.479 bonds (distance) P-C4' energy: -58.827 flat angles C4'-P-C4' energy: -44.199 flat angles P-C4'-P energy: -36.785 tors. eta vs tors. theta energy: -18.911 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: 8, replica: 7 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -584.139116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.139116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.139116 (E_RNA) where: Base-Base interactions energy: -354.490 where: short stacking energy: -178.740 Base-Backbone interact. energy: -1.288 local terms energy: -228.361498 where: bonds (distance) C4'-P energy: -55.387 bonds (distance) P-C4' energy: -55.078 flat angles C4'-P-C4' energy: -53.031 flat angles P-C4'-P energy: -38.492 tors. eta vs tors. theta energy: -26.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -500.757974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.757974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.757974 (E_RNA) where: Base-Base interactions energy: -290.812 where: short stacking energy: -150.646 Base-Backbone interact. energy: -0.835 local terms energy: -209.110692 where: bonds (distance) C4'-P energy: -61.878 bonds (distance) P-C4' energy: -40.721 flat angles C4'-P-C4' energy: -53.821 flat angles P-C4'-P energy: -31.524 tors. eta vs tors. theta energy: -21.168 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: 10, replica: 4 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -373.346476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -373.346476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -373.346476 (E_RNA) where: Base-Base interactions energy: -181.812 where: short stacking energy: -92.946 Base-Backbone interact. energy: -1.190 local terms energy: -190.344463 where: bonds (distance) C4'-P energy: -56.308 bonds (distance) P-C4' energy: -65.460 flat angles C4'-P-C4' energy: -38.979 flat angles P-C4'-P energy: -26.507 tors. eta vs tors. theta energy: -3.091 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: 10 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -1113.649225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.649225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.649225 (E_RNA) where: Base-Base interactions energy: -781.328 where: short stacking energy: -301.725 Base-Backbone interact. energy: -0.297 local terms energy: -332.024872 where: bonds (distance) C4'-P energy: -59.738 bonds (distance) P-C4' energy: -60.133 flat angles C4'-P-C4' energy: -67.323 flat angles P-C4'-P energy: -55.315 tors. eta vs tors. theta energy: -89.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -1141.605161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.605161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.605161 (E_RNA) where: Base-Base interactions energy: -774.728 where: short stacking energy: -335.256 Base-Backbone interact. energy: -3.438 local terms energy: -363.439500 where: bonds (distance) C4'-P energy: -71.665 bonds (distance) P-C4' energy: -66.001 flat angles C4'-P-C4' energy: -80.038 flat angles P-C4'-P energy: -46.938 tors. eta vs tors. theta energy: -98.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -1070.541819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.541819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.541819 (E_RNA) where: Base-Base interactions energy: -744.279 where: short stacking energy: -301.784 Base-Backbone interact. energy: -2.121 local terms energy: -324.141815 where: bonds (distance) C4'-P energy: -58.752 bonds (distance) P-C4' energy: -64.081 flat angles C4'-P-C4' energy: -73.818 flat angles P-C4'-P energy: -39.370 tors. eta vs tors. theta energy: -88.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -1019.513858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.513858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.513858 (E_RNA) where: Base-Base interactions energy: -656.068 where: short stacking energy: -320.902 Base-Backbone interact. energy: -0.746 local terms energy: -362.699930 where: bonds (distance) C4'-P energy: -64.829 bonds (distance) P-C4' energy: -67.739 flat angles C4'-P-C4' energy: -70.750 flat angles P-C4'-P energy: -54.069 tors. eta vs tors. theta energy: -105.312 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: 9 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -970.446167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.446167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.446167 (E_RNA) where: Base-Base interactions energy: -669.314 where: short stacking energy: -269.596 Base-Backbone interact. energy: -0.865 local terms energy: -300.266757 where: bonds (distance) C4'-P energy: -69.026 bonds (distance) P-C4' energy: -53.220 flat angles C4'-P-C4' energy: -70.757 flat angles P-C4'-P energy: -34.632 tors. eta vs tors. theta energy: -72.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -753.654563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.654563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.654563 (E_RNA) where: Base-Base interactions energy: -501.126 where: short stacking energy: -221.128 Base-Backbone interact. energy: -0.157 local terms energy: -252.372225 where: bonds (distance) C4'-P energy: -55.518 bonds (distance) P-C4' energy: -47.395 flat angles C4'-P-C4' energy: -63.769 flat angles P-C4'-P energy: -42.879 tors. eta vs tors. theta energy: -42.812 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: 7 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -646.608965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.608965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.608965 (E_RNA) where: Base-Base interactions energy: -394.663 where: short stacking energy: -167.290 Base-Backbone interact. energy: -2.048 local terms energy: -249.898627 where: bonds (distance) C4'-P energy: -59.140 bonds (distance) P-C4' energy: -62.104 flat angles C4'-P-C4' energy: -61.286 flat angles P-C4'-P energy: -39.486 tors. eta vs tors. theta energy: -27.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -567.708548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.708548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.708548 (E_RNA) where: Base-Base interactions energy: -345.863 where: short stacking energy: -174.508 Base-Backbone interact. energy: 0.764 local terms energy: -222.609794 where: bonds (distance) C4'-P energy: -48.007 bonds (distance) P-C4' energy: -52.915 flat angles C4'-P-C4' energy: -65.782 flat angles P-C4'-P energy: -35.754 tors. eta vs tors. theta energy: -20.152 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: 2 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -509.088321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.088321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.088321 (E_RNA) where: Base-Base interactions energy: -296.716 where: short stacking energy: -147.036 Base-Backbone interact. energy: -1.749 local terms energy: -210.623117 where: bonds (distance) C4'-P energy: -50.291 bonds (distance) P-C4' energy: -59.852 flat angles C4'-P-C4' energy: -55.661 flat angles P-C4'-P energy: -25.228 tors. eta vs tors. theta energy: -19.591 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: 198 Temperature: 1.350000 Total energy: -348.451798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -348.451798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -348.451798 (E_RNA) where: Base-Base interactions energy: -158.325 where: short stacking energy: -100.453 Base-Backbone interact. energy: -1.737 local terms energy: -188.390203 where: bonds (distance) C4'-P energy: -67.919 bonds (distance) P-C4' energy: -61.951 flat angles C4'-P-C4' energy: -46.699 flat angles P-C4'-P energy: -17.103 tors. eta vs tors. theta energy: 5.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -1139.767803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.767803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.767803 (E_RNA) where: Base-Base interactions energy: -812.557 where: short stacking energy: -321.372 Base-Backbone interact. energy: -3.424 local terms energy: -323.787476 where: bonds (distance) C4'-P energy: -62.712 bonds (distance) P-C4' energy: -54.245 flat angles C4'-P-C4' energy: -68.326 flat angles P-C4'-P energy: -49.121 tors. eta vs tors. theta energy: -89.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -1103.705142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.705142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.705142 (E_RNA) where: Base-Base interactions energy: -762.969 where: short stacking energy: -327.740 Base-Backbone interact. energy: -0.265 local terms energy: -340.471129 where: bonds (distance) C4'-P energy: -71.498 bonds (distance) P-C4' energy: -57.935 flat angles C4'-P-C4' energy: -71.359 flat angles P-C4'-P energy: -47.135 tors. eta vs tors. theta energy: -92.545 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: 1 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -1068.962391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.962391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.962391 (E_RNA) where: Base-Base interactions energy: -731.513 where: short stacking energy: -292.936 Base-Backbone interact. energy: -1.145 local terms energy: -336.304827 where: bonds (distance) C4'-P energy: -64.110 bonds (distance) P-C4' energy: -62.751 flat angles C4'-P-C4' energy: -68.500 flat angles P-C4'-P energy: -51.828 tors. eta vs tors. theta energy: -89.116 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: 4, replica: 9 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -978.593342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.593342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.593342 (E_RNA) where: Base-Base interactions energy: -672.561 where: short stacking energy: -291.210 Base-Backbone interact. energy: -0.773 local terms energy: -305.258773 where: bonds (distance) C4'-P energy: -64.314 bonds (distance) P-C4' energy: -63.472 flat angles C4'-P-C4' energy: -66.541 flat angles P-C4'-P energy: -46.775 tors. eta vs tors. theta energy: -64.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -1018.562004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.562004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.562004 (E_RNA) where: Base-Base interactions energy: -680.201 where: short stacking energy: -313.397 Base-Backbone interact. energy: -0.403 local terms energy: -337.958754 where: bonds (distance) C4'-P energy: -58.535 bonds (distance) P-C4' energy: -66.392 flat angles C4'-P-C4' energy: -70.039 flat angles P-C4'-P energy: -43.048 tors. eta vs tors. theta energy: -99.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -757.853718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.853718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.853718 (E_RNA) where: Base-Base interactions energy: -491.585 where: short stacking energy: -222.016 Base-Backbone interact. energy: -2.211 local terms energy: -264.058064 where: bonds (distance) C4'-P energy: -52.212 bonds (distance) P-C4' energy: -50.458 flat angles C4'-P-C4' energy: -62.605 flat angles P-C4'-P energy: -43.290 tors. eta vs tors. theta energy: -55.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -646.367151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.367151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.367151 (E_RNA) where: Base-Base interactions energy: -390.577 where: short stacking energy: -193.299 Base-Backbone interact. energy: -0.940 local terms energy: -254.849711 where: bonds (distance) C4'-P energy: -57.363 bonds (distance) P-C4' energy: -59.207 flat angles C4'-P-C4' energy: -62.391 flat angles P-C4'-P energy: -39.208 tors. eta vs tors. theta energy: -36.680 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: 8, replica: 5 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -577.269183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.269183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.269183 (E_RNA) where: Base-Base interactions energy: -344.382 where: short stacking energy: -172.172 Base-Backbone interact. energy: 1.164 local terms energy: -234.050870 where: bonds (distance) C4'-P energy: -60.029 bonds (distance) P-C4' energy: -63.020 flat angles C4'-P-C4' energy: -52.266 flat angles P-C4'-P energy: -31.244 tors. eta vs tors. theta energy: -27.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -512.535189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -512.535189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -512.535189 (E_RNA) where: Base-Base interactions energy: -309.825 where: short stacking energy: -144.362 Base-Backbone interact. energy: 0.344 local terms energy: -203.053984 where: bonds (distance) C4'-P energy: -48.285 bonds (distance) P-C4' energy: -44.755 flat angles C4'-P-C4' energy: -54.382 flat angles P-C4'-P energy: -37.830 tors. eta vs tors. theta energy: -17.802 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: 4 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -417.491995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.491995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.491995 (E_RNA) where: Base-Base interactions energy: -217.805 where: short stacking energy: -116.005 Base-Backbone interact. energy: 4.059 local terms energy: -203.745874 where: bonds (distance) C4'-P energy: -45.505 bonds (distance) P-C4' energy: -51.402 flat angles C4'-P-C4' energy: -47.942 flat angles P-C4'-P energy: -34.391 tors. eta vs tors. theta energy: -24.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -1151.562387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.562387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.562387 (E_RNA) where: Base-Base interactions energy: -808.108 where: short stacking energy: -326.634 Base-Backbone interact. energy: -0.730 local terms energy: -342.724861 where: bonds (distance) C4'-P energy: -62.869 bonds (distance) P-C4' energy: -68.351 flat angles C4'-P-C4' energy: -70.693 flat angles P-C4'-P energy: -46.857 tors. eta vs tors. theta energy: -93.955 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: 200 Temperature: 0.950000 Total energy: -1088.045469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.045469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.045469 (E_RNA) where: Base-Base interactions energy: -750.970 where: short stacking energy: -314.367 Base-Backbone interact. energy: 3.137 local terms energy: -340.212580 where: bonds (distance) C4'-P energy: -56.798 bonds (distance) P-C4' energy: -73.447 flat angles C4'-P-C4' energy: -66.485 flat angles P-C4'-P energy: -49.973 tors. eta vs tors. theta energy: -93.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -1056.934728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.934728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.934728 (E_RNA) where: Base-Base interactions energy: -762.439 where: short stacking energy: -301.402 Base-Backbone interact. energy: 2.964 local terms energy: -297.459573 where: bonds (distance) C4'-P energy: -51.997 bonds (distance) P-C4' energy: -70.168 flat angles C4'-P-C4' energy: -66.393 flat angles P-C4'-P energy: -35.798 tors. eta vs tors. theta energy: -73.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -1026.720624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.720624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.720624 (E_RNA) where: Base-Base interactions energy: -710.148 where: short stacking energy: -305.414 Base-Backbone interact. energy: -2.128 local terms energy: -314.444094 where: bonds (distance) C4'-P energy: -60.031 bonds (distance) P-C4' energy: -63.443 flat angles C4'-P-C4' energy: -62.285 flat angles P-C4'-P energy: -39.866 tors. eta vs tors. theta energy: -88.820 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: 6 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -1030.796161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.796161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.796161 (E_RNA) where: Base-Base interactions energy: -679.654 where: short stacking energy: -307.025 Base-Backbone interact. energy: -0.862 local terms energy: -350.279660 where: bonds (distance) C4'-P energy: -67.899 bonds (distance) P-C4' energy: -67.903 flat angles C4'-P-C4' energy: -70.595 flat angles P-C4'-P energy: -47.625 tors. eta vs tors. theta energy: -96.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -735.373464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.373464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.373464 (E_RNA) where: Base-Base interactions energy: -470.155 where: short stacking energy: -182.623 Base-Backbone interact. energy: -1.830 local terms energy: -263.389145 where: bonds (distance) C4'-P energy: -57.311 bonds (distance) P-C4' energy: -65.858 flat angles C4'-P-C4' energy: -62.206 flat angles P-C4'-P energy: -39.071 tors. eta vs tors. theta energy: -38.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -624.597516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.597516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.597516 (E_RNA) where: Base-Base interactions energy: -392.692 where: short stacking energy: -173.161 Base-Backbone interact. energy: 0.902 local terms energy: -232.807076 where: bonds (distance) C4'-P energy: -54.790 bonds (distance) P-C4' energy: -58.636 flat angles C4'-P-C4' energy: -55.818 flat angles P-C4'-P energy: -29.851 tors. eta vs tors. theta energy: -33.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -602.870371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.870371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.870371 (E_RNA) where: Base-Base interactions energy: -369.520 where: short stacking energy: -169.868 Base-Backbone interact. energy: 1.284 local terms energy: -234.634372 where: bonds (distance) C4'-P energy: -58.509 bonds (distance) P-C4' energy: -49.321 flat angles C4'-P-C4' energy: -63.193 flat angles P-C4'-P energy: -28.489 tors. eta vs tors. theta energy: -35.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -516.147509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.147509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.147509 (E_RNA) where: Base-Base interactions energy: -291.712 where: short stacking energy: -150.301 Base-Backbone interact. energy: -2.769 local terms energy: -221.666572 where: bonds (distance) C4'-P energy: -64.822 bonds (distance) P-C4' energy: -51.662 flat angles C4'-P-C4' energy: -48.993 flat angles P-C4'-P energy: -35.054 tors. eta vs tors. theta energy: -21.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 200 Temperature: 1.350000 Total energy: -434.448285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.448285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.448285 (E_RNA) where: Base-Base interactions energy: -231.334 where: short stacking energy: -131.328 Base-Backbone interact. energy: 0.719 local terms energy: -203.833335 where: bonds (distance) C4'-P energy: -39.959 bonds (distance) P-C4' energy: -62.032 flat angles C4'-P-C4' energy: -48.425 flat angles P-C4'-P energy: -40.478 tors. eta vs tors. theta energy: -12.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -1141.453568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.453568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.453568 (E_RNA) where: Base-Base interactions energy: -804.825 where: short stacking energy: -313.265 Base-Backbone interact. energy: -1.545 local terms energy: -335.083677 where: bonds (distance) C4'-P energy: -64.235 bonds (distance) P-C4' energy: -69.781 flat angles C4'-P-C4' energy: -67.955 flat angles P-C4'-P energy: -48.710 tors. eta vs tors. theta energy: -84.402 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: 2, replica: 8 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -1092.745613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.745613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.745613 (E_RNA) where: Base-Base interactions energy: -744.459 where: short stacking energy: -321.285 Base-Backbone interact. energy: -0.469 local terms energy: -347.817669 where: bonds (distance) C4'-P energy: -57.831 bonds (distance) P-C4' energy: -60.921 flat angles C4'-P-C4' energy: -78.297 flat angles P-C4'-P energy: -53.662 tors. eta vs tors. theta energy: -97.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -1050.768665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.768665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.768665 (E_RNA) where: Base-Base interactions energy: -736.733 where: short stacking energy: -283.520 Base-Backbone interact. energy: -3.489 local terms energy: -310.546641 where: bonds (distance) C4'-P energy: -63.317 bonds (distance) P-C4' energy: -58.891 flat angles C4'-P-C4' energy: -64.662 flat angles P-C4'-P energy: -50.602 tors. eta vs tors. theta energy: -73.074 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: 9 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -1051.326966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.326966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.326966 (E_RNA) where: Base-Base interactions energy: -719.482 where: short stacking energy: -288.153 Base-Backbone interact. energy: -2.043 local terms energy: -329.801846 where: bonds (distance) C4'-P energy: -60.978 bonds (distance) P-C4' energy: -61.854 flat angles C4'-P-C4' energy: -73.285 flat angles P-C4'-P energy: -52.068 tors. eta vs tors. theta energy: -81.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 201 Temperature: 1.100000 Total energy: -983.966582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.966582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.966582 (E_RNA) where: Base-Base interactions energy: -657.242 where: short stacking energy: -306.058 Base-Backbone interact. energy: 2.146 local terms energy: -328.871030 where: bonds (distance) C4'-P energy: -64.508 bonds (distance) P-C4' energy: -64.139 flat angles C4'-P-C4' energy: -61.792 flat angles P-C4'-P energy: -45.021 tors. eta vs tors. theta energy: -93.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -722.493060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.493060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.493060 (E_RNA) where: Base-Base interactions energy: -463.587 where: short stacking energy: -210.330 Base-Backbone interact. energy: -0.389 local terms energy: -258.517431 where: bonds (distance) C4'-P energy: -47.573 bonds (distance) P-C4' energy: -55.709 flat angles C4'-P-C4' energy: -60.999 flat angles P-C4'-P energy: -48.603 tors. eta vs tors. theta energy: -45.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -691.957183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.957183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.957183 (E_RNA) where: Base-Base interactions energy: -441.942 where: short stacking energy: -196.668 Base-Backbone interact. energy: 1.156 local terms energy: -251.171217 where: bonds (distance) C4'-P energy: -39.265 bonds (distance) P-C4' energy: -66.744 flat angles C4'-P-C4' energy: -65.967 flat angles P-C4'-P energy: -33.384 tors. eta vs tors. theta energy: -45.811 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: 5 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -564.898531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.898531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.898531 (E_RNA) where: Base-Base interactions energy: -340.202 where: short stacking energy: -148.601 Base-Backbone interact. energy: -0.608 local terms energy: -224.088329 where: bonds (distance) C4'-P energy: -54.233 bonds (distance) P-C4' energy: -58.529 flat angles C4'-P-C4' energy: -54.617 flat angles P-C4'-P energy: -27.879 tors. eta vs tors. theta energy: -28.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -515.059301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.059301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.059301 (E_RNA) where: Base-Base interactions energy: -304.890 where: short stacking energy: -141.062 Base-Backbone interact. energy: -1.312 local terms energy: -208.857674 where: bonds (distance) C4'-P energy: -57.998 bonds (distance) P-C4' energy: -58.637 flat angles C4'-P-C4' energy: -43.630 flat angles P-C4'-P energy: -34.976 tors. eta vs tors. theta energy: -13.617 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: 4 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -421.088394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.088394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.088394 (E_RNA) where: Base-Base interactions energy: -218.747 where: short stacking energy: -118.783 Base-Backbone interact. energy: -0.129 local terms energy: -202.212570 where: bonds (distance) C4'-P energy: -54.679 bonds (distance) P-C4' energy: -53.910 flat angles C4'-P-C4' energy: -50.056 flat angles P-C4'-P energy: -30.072 tors. eta vs tors. theta energy: -13.495 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: 8 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -1132.916827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.916827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.916827 (E_RNA) where: Base-Base interactions energy: -771.707 where: short stacking energy: -342.129 Base-Backbone interact. energy: -1.585 local terms energy: -359.624701 where: bonds (distance) C4'-P energy: -59.645 bonds (distance) P-C4' energy: -60.438 flat angles C4'-P-C4' energy: -78.851 flat angles P-C4'-P energy: -57.678 tors. eta vs tors. theta energy: -103.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -1115.535221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.535221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.535221 (E_RNA) where: Base-Base interactions energy: -779.868 where: short stacking energy: -298.962 Base-Backbone interact. energy: -0.954 local terms energy: -334.713209 where: bonds (distance) C4'-P energy: -52.441 bonds (distance) P-C4' energy: -69.534 flat angles C4'-P-C4' energy: -78.528 flat angles P-C4'-P energy: -49.481 tors. eta vs tors. theta energy: -84.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -1080.706044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.706044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.706044 (E_RNA) where: Base-Base interactions energy: -754.233 where: short stacking energy: -306.922 Base-Backbone interact. energy: -0.496 local terms energy: -325.976946 where: bonds (distance) C4'-P energy: -59.044 bonds (distance) P-C4' energy: -70.523 flat angles C4'-P-C4' energy: -67.891 flat angles P-C4'-P energy: -49.727 tors. eta vs tors. theta energy: -78.791 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: 4, replica: 1 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -1024.100700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.100700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.100700 (E_RNA) where: Base-Base interactions energy: -718.944 where: short stacking energy: -273.219 Base-Backbone interact. energy: -0.588 local terms energy: -304.568222 where: bonds (distance) C4'-P energy: -64.495 bonds (distance) P-C4' energy: -62.385 flat angles C4'-P-C4' energy: -59.610 flat angles P-C4'-P energy: -40.618 tors. eta vs tors. theta energy: -77.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -955.769343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.769343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.769343 (E_RNA) where: Base-Base interactions energy: -650.854 where: short stacking energy: -299.154 Base-Backbone interact. energy: -1.661 local terms energy: -303.254570 where: bonds (distance) C4'-P energy: -54.445 bonds (distance) P-C4' energy: -52.829 flat angles C4'-P-C4' energy: -68.456 flat angles P-C4'-P energy: -43.673 tors. eta vs tors. theta energy: -83.852 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: 3 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -753.181035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.181035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.181035 (E_RNA) where: Base-Base interactions energy: -482.376 where: short stacking energy: -211.832 Base-Backbone interact. energy: 0.429 local terms energy: -271.233641 where: bonds (distance) C4'-P energy: -58.376 bonds (distance) P-C4' energy: -64.420 flat angles C4'-P-C4' energy: -66.818 flat angles P-C4'-P energy: -29.750 tors. eta vs tors. theta energy: -51.869 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: 7 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -662.805232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.805232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.805232 (E_RNA) where: Base-Base interactions energy: -417.132 where: short stacking energy: -190.284 Base-Backbone interact. energy: -0.733 local terms energy: -244.940561 where: bonds (distance) C4'-P energy: -38.081 bonds (distance) P-C4' energy: -65.270 flat angles C4'-P-C4' energy: -68.381 flat angles P-C4'-P energy: -36.315 tors. eta vs tors. theta energy: -36.893 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: 5 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -592.532047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.532047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.532047 (E_RNA) where: Base-Base interactions energy: -352.063 where: short stacking energy: -165.365 Base-Backbone interact. energy: -3.338 local terms energy: -237.130823 where: bonds (distance) C4'-P energy: -57.376 bonds (distance) P-C4' energy: -54.563 flat angles C4'-P-C4' energy: -56.426 flat angles P-C4'-P energy: -41.363 tors. eta vs tors. theta energy: -27.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -552.817429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.817429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.817429 (E_RNA) where: Base-Base interactions energy: -334.140 where: short stacking energy: -161.952 Base-Backbone interact. energy: -3.396 local terms energy: -215.281099 where: bonds (distance) C4'-P energy: -56.777 bonds (distance) P-C4' energy: -48.237 flat angles C4'-P-C4' energy: -48.163 flat angles P-C4'-P energy: -43.010 tors. eta vs tors. theta energy: -19.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -422.091405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.091405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.091405 (E_RNA) where: Base-Base interactions energy: -218.394 where: short stacking energy: -120.191 Base-Backbone interact. energy: 4.009 local terms energy: -207.706089 where: bonds (distance) C4'-P energy: -41.564 bonds (distance) P-C4' energy: -60.009 flat angles C4'-P-C4' energy: -54.951 flat angles P-C4'-P energy: -36.905 tors. eta vs tors. theta energy: -14.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -1116.648319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.648319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.648319 (E_RNA) where: Base-Base interactions energy: -761.552 where: short stacking energy: -318.238 Base-Backbone interact. energy: -1.686 local terms energy: -353.409740 where: bonds (distance) C4'-P energy: -64.045 bonds (distance) P-C4' energy: -72.113 flat angles C4'-P-C4' energy: -73.230 flat angles P-C4'-P energy: -47.591 tors. eta vs tors. theta energy: -96.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -1124.264888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.264888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.264888 (E_RNA) where: Base-Base interactions energy: -785.472 where: short stacking energy: -325.034 Base-Backbone interact. energy: -2.876 local terms energy: -335.916849 where: bonds (distance) C4'-P energy: -64.468 bonds (distance) P-C4' energy: -70.214 flat angles C4'-P-C4' energy: -68.587 flat angles P-C4'-P energy: -55.327 tors. eta vs tors. theta energy: -77.321 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: 9 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -1084.317718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.317718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.317718 (E_RNA) where: Base-Base interactions energy: -746.327 where: short stacking energy: -319.233 Base-Backbone interact. energy: -0.932 local terms energy: -337.059215 where: bonds (distance) C4'-P energy: -66.660 bonds (distance) P-C4' energy: -60.628 flat angles C4'-P-C4' energy: -73.113 flat angles P-C4'-P energy: -43.756 tors. eta vs tors. theta energy: -92.902 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -1018.253120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.253120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.253120 (E_RNA) where: Base-Base interactions energy: -710.849 where: short stacking energy: -291.688 Base-Backbone interact. energy: -1.768 local terms energy: -305.637047 where: bonds (distance) C4'-P energy: -58.158 bonds (distance) P-C4' energy: -62.400 flat angles C4'-P-C4' energy: -58.775 flat angles P-C4'-P energy: -47.507 tors. eta vs tors. theta energy: -78.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -1019.343144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.343144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.343144 (E_RNA) where: Base-Base interactions energy: -691.784 where: short stacking energy: -320.625 Base-Backbone interact. energy: 0.156 local terms energy: -327.715240 where: bonds (distance) C4'-P energy: -54.309 bonds (distance) P-C4' energy: -53.756 flat angles C4'-P-C4' energy: -66.796 flat angles P-C4'-P energy: -47.946 tors. eta vs tors. theta energy: -104.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -758.279897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.279897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.279897 (E_RNA) where: Base-Base interactions energy: -494.767 where: short stacking energy: -223.337 Base-Backbone interact. energy: -2.537 local terms energy: -260.975531 where: bonds (distance) C4'-P energy: -51.535 bonds (distance) P-C4' energy: -53.067 flat angles C4'-P-C4' energy: -65.272 flat angles P-C4'-P energy: -41.137 tors. eta vs tors. theta energy: -49.966 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: 7, replica: 7 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -633.741939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.741939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.741939 (E_RNA) where: Base-Base interactions energy: -397.186 where: short stacking energy: -169.492 Base-Backbone interact. energy: 1.546 local terms energy: -238.101607 where: bonds (distance) C4'-P energy: -49.992 bonds (distance) P-C4' energy: -56.019 flat angles C4'-P-C4' energy: -67.950 flat angles P-C4'-P energy: -33.913 tors. eta vs tors. theta energy: -30.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -559.236770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.236770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.236770 (E_RNA) where: Base-Base interactions energy: -326.109 where: short stacking energy: -162.754 Base-Backbone interact. energy: -1.190 local terms energy: -231.937477 where: bonds (distance) C4'-P energy: -50.669 bonds (distance) P-C4' energy: -67.311 flat angles C4'-P-C4' energy: -60.100 flat angles P-C4'-P energy: -26.757 tors. eta vs tors. theta energy: -27.100 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: 5 ===================================== Write number: 203 Temperature: 1.300000 Total energy: -573.137408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.137408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.137408 (E_RNA) where: Base-Base interactions energy: -372.350 where: short stacking energy: -183.611 Base-Backbone interact. energy: -2.622 local terms energy: -198.165443 where: bonds (distance) C4'-P energy: -55.027 bonds (distance) P-C4' energy: -48.107 flat angles C4'-P-C4' energy: -51.542 flat angles P-C4'-P energy: -20.962 tors. eta vs tors. theta energy: -22.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -409.938024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.938024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.938024 (E_RNA) where: Base-Base interactions energy: -212.441 where: short stacking energy: -118.940 Base-Backbone interact. energy: -1.072 local terms energy: -196.425790 where: bonds (distance) C4'-P energy: -48.175 bonds (distance) P-C4' energy: -63.414 flat angles C4'-P-C4' energy: -45.781 flat angles P-C4'-P energy: -32.209 tors. eta vs tors. theta energy: -6.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -1148.353075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.353075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.353075 (E_RNA) where: Base-Base interactions energy: -803.839 where: short stacking energy: -318.307 Base-Backbone interact. energy: 1.295 local terms energy: -345.809056 where: bonds (distance) C4'-P energy: -70.070 bonds (distance) P-C4' energy: -72.864 flat angles C4'-P-C4' energy: -73.412 flat angles P-C4'-P energy: -43.571 tors. eta vs tors. theta energy: -85.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -1099.387918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.387918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.387918 (E_RNA) where: Base-Base interactions energy: -753.120 where: short stacking energy: -322.799 Base-Backbone interact. energy: -2.170 local terms energy: -344.098468 where: bonds (distance) C4'-P energy: -65.844 bonds (distance) P-C4' energy: -63.344 flat angles C4'-P-C4' energy: -69.443 flat angles P-C4'-P energy: -51.903 tors. eta vs tors. theta energy: -93.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -1090.573372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.573372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.573372 (E_RNA) where: Base-Base interactions energy: -752.558 where: short stacking energy: -315.758 Base-Backbone interact. energy: 1.301 local terms energy: -339.316295 where: bonds (distance) C4'-P energy: -73.708 bonds (distance) P-C4' energy: -61.775 flat angles C4'-P-C4' energy: -67.486 flat angles P-C4'-P energy: -43.093 tors. eta vs tors. theta energy: -93.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -1047.115063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.115063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.115063 (E_RNA) where: Base-Base interactions energy: -722.129 where: short stacking energy: -293.241 Base-Backbone interact. energy: 0.125 local terms energy: -325.111286 where: bonds (distance) C4'-P energy: -58.362 bonds (distance) P-C4' energy: -66.298 flat angles C4'-P-C4' energy: -71.694 flat angles P-C4'-P energy: -50.184 tors. eta vs tors. theta energy: -78.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -991.256463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.256463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.256463 (E_RNA) where: Base-Base interactions energy: -682.853 where: short stacking energy: -296.206 Base-Backbone interact. energy: 3.016 local terms energy: -311.419318 where: bonds (distance) C4'-P energy: -48.007 bonds (distance) P-C4' energy: -57.490 flat angles C4'-P-C4' energy: -66.559 flat angles P-C4'-P energy: -50.061 tors. eta vs tors. theta energy: -89.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -763.341649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.341649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.341649 (E_RNA) where: Base-Base interactions energy: -497.177 where: short stacking energy: -216.541 Base-Backbone interact. energy: 0.097 local terms energy: -266.261871 where: bonds (distance) C4'-P energy: -53.532 bonds (distance) P-C4' energy: -59.853 flat angles C4'-P-C4' energy: -58.147 flat angles P-C4'-P energy: -48.522 tors. eta vs tors. theta energy: -46.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -678.825911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.825911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.825911 (E_RNA) where: Base-Base interactions energy: -429.711 where: short stacking energy: -200.481 Base-Backbone interact. energy: 2.315 local terms energy: -251.429322 where: bonds (distance) C4'-P energy: -54.858 bonds (distance) P-C4' energy: -46.257 flat angles C4'-P-C4' energy: -59.838 flat angles P-C4'-P energy: -33.611 tors. eta vs tors. theta energy: -56.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -518.431294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.431294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.431294 (E_RNA) where: Base-Base interactions energy: -296.273 where: short stacking energy: -151.410 Base-Backbone interact. energy: -2.469 local terms energy: -219.689323 where: bonds (distance) C4'-P energy: -57.137 bonds (distance) P-C4' energy: -55.067 flat angles C4'-P-C4' energy: -60.279 flat angles P-C4'-P energy: -28.555 tors. eta vs tors. theta energy: -18.651 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: 5 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -587.725130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.725130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.725130 (E_RNA) where: Base-Base interactions energy: -365.783 where: short stacking energy: -153.444 Base-Backbone interact. energy: -1.370 local terms energy: -220.571724 where: bonds (distance) C4'-P energy: -70.434 bonds (distance) P-C4' energy: -46.413 flat angles C4'-P-C4' energy: -48.011 flat angles P-C4'-P energy: -37.293 tors. eta vs tors. theta energy: -18.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -424.681767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.681767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.681767 (E_RNA) where: Base-Base interactions energy: -233.876 where: short stacking energy: -121.753 Base-Backbone interact. energy: -0.042 local terms energy: -190.763554 where: bonds (distance) C4'-P energy: -47.598 bonds (distance) P-C4' energy: -52.587 flat angles C4'-P-C4' energy: -51.477 flat angles P-C4'-P energy: -29.524 tors. eta vs tors. theta energy: -9.577 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: 1, replica: 10 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -1161.326917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.326917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.326917 (E_RNA) where: Base-Base interactions energy: -815.153 where: short stacking energy: -317.440 Base-Backbone interact. energy: -1.073 local terms energy: -345.100983 where: bonds (distance) C4'-P energy: -75.590 bonds (distance) P-C4' energy: -68.679 flat angles C4'-P-C4' energy: -66.329 flat angles P-C4'-P energy: -41.539 tors. eta vs tors. theta energy: -92.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -1112.687065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.687065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.687065 (E_RNA) where: Base-Base interactions energy: -776.812 where: short stacking energy: -307.468 Base-Backbone interact. energy: -0.779 local terms energy: -335.095897 where: bonds (distance) C4'-P energy: -61.894 bonds (distance) P-C4' energy: -61.822 flat angles C4'-P-C4' energy: -70.982 flat angles P-C4'-P energy: -49.002 tors. eta vs tors. theta energy: -91.397 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: 8 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -1084.213208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.213208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.213208 (E_RNA) where: Base-Base interactions energy: -751.323 where: short stacking energy: -321.151 Base-Backbone interact. energy: 0.330 local terms energy: -333.220504 where: bonds (distance) C4'-P energy: -63.840 bonds (distance) P-C4' energy: -64.083 flat angles C4'-P-C4' energy: -72.824 flat angles P-C4'-P energy: -39.865 tors. eta vs tors. theta energy: -92.608 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: 6 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -1032.742101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.742101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.742101 (E_RNA) where: Base-Base interactions energy: -682.219 where: short stacking energy: -295.198 Base-Backbone interact. energy: -2.548 local terms energy: -347.975428 where: bonds (distance) C4'-P energy: -66.176 bonds (distance) P-C4' energy: -67.570 flat angles C4'-P-C4' energy: -74.724 flat angles P-C4'-P energy: -50.174 tors. eta vs tors. theta energy: -89.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -1028.296036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.296036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.296036 (E_RNA) where: Base-Base interactions energy: -725.405 where: short stacking energy: -286.392 Base-Backbone interact. energy: -3.400 local terms energy: -299.491529 where: bonds (distance) C4'-P energy: -48.932 bonds (distance) P-C4' energy: -50.351 flat angles C4'-P-C4' energy: -63.888 flat angles P-C4'-P energy: -49.949 tors. eta vs tors. theta energy: -86.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -789.948950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.948950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.948950 (E_RNA) where: Base-Base interactions energy: -504.399 where: short stacking energy: -234.054 Base-Backbone interact. energy: -2.896 local terms energy: -282.653647 where: bonds (distance) C4'-P energy: -59.561 bonds (distance) P-C4' energy: -70.930 flat angles C4'-P-C4' energy: -51.294 flat angles P-C4'-P energy: -47.473 tors. eta vs tors. theta energy: -53.395 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: 7 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -668.893084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.893084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.893084 (E_RNA) where: Base-Base interactions energy: -424.915 where: short stacking energy: -199.577 Base-Backbone interact. energy: 0.321 local terms energy: -244.300059 where: bonds (distance) C4'-P energy: -41.162 bonds (distance) P-C4' energy: -62.542 flat angles C4'-P-C4' energy: -59.104 flat angles P-C4'-P energy: -47.252 tors. eta vs tors. theta energy: -34.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -597.547646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.547646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.547646 (E_RNA) where: Base-Base interactions energy: -360.942 where: short stacking energy: -163.987 Base-Backbone interact. energy: -0.854 local terms energy: -235.751578 where: bonds (distance) C4'-P energy: -59.010 bonds (distance) P-C4' energy: -64.571 flat angles C4'-P-C4' energy: -55.073 flat angles P-C4'-P energy: -38.325 tors. eta vs tors. theta energy: -18.772 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: 2 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -490.654363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.654363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.654363 (E_RNA) where: Base-Base interactions energy: -276.514 where: short stacking energy: -130.579 Base-Backbone interact. energy: 0.954 local terms energy: -215.094390 where: bonds (distance) C4'-P energy: -48.002 bonds (distance) P-C4' energy: -55.170 flat angles C4'-P-C4' energy: -56.907 flat angles P-C4'-P energy: -39.512 tors. eta vs tors. theta energy: -15.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -408.052360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.052360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.052360 (E_RNA) where: Base-Base interactions energy: -226.664 where: short stacking energy: -118.436 Base-Backbone interact. energy: -1.308 local terms energy: -180.080762 where: bonds (distance) C4'-P energy: -53.049 bonds (distance) P-C4' energy: -55.457 flat angles C4'-P-C4' energy: -46.452 flat angles P-C4'-P energy: -26.882 tors. eta vs tors. theta energy: 1.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -1149.254580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.254580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.254580 (E_RNA) where: Base-Base interactions energy: -818.395 where: short stacking energy: -331.395 Base-Backbone interact. energy: -2.627 local terms energy: -328.232600 where: bonds (distance) C4'-P energy: -50.251 bonds (distance) P-C4' energy: -65.932 flat angles C4'-P-C4' energy: -73.935 flat angles P-C4'-P energy: -47.652 tors. eta vs tors. theta energy: -90.462 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: 9 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -1113.390121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.390121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.390121 (E_RNA) where: Base-Base interactions energy: -774.925 where: short stacking energy: -315.348 Base-Backbone interact. energy: -1.309 local terms energy: -337.156082 where: bonds (distance) C4'-P energy: -69.073 bonds (distance) P-C4' energy: -60.860 flat angles C4'-P-C4' energy: -69.985 flat angles P-C4'-P energy: -49.817 tors. eta vs tors. theta energy: -87.421 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: 8 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -1068.759413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.759413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.759413 (E_RNA) where: Base-Base interactions energy: -733.176 where: short stacking energy: -295.062 Base-Backbone interact. energy: -2.034 local terms energy: -333.549478 where: bonds (distance) C4'-P energy: -62.495 bonds (distance) P-C4' energy: -69.581 flat angles C4'-P-C4' energy: -69.791 flat angles P-C4'-P energy: -46.161 tors. eta vs tors. theta energy: -85.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -1010.805775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.805775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.805775 (E_RNA) where: Base-Base interactions energy: -688.265 where: short stacking energy: -315.992 Base-Backbone interact. energy: -0.579 local terms energy: -321.961910 where: bonds (distance) C4'-P energy: -58.601 bonds (distance) P-C4' energy: -59.806 flat angles C4'-P-C4' energy: -63.798 flat angles P-C4'-P energy: -41.864 tors. eta vs tors. theta energy: -97.894 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: 1 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -998.839473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.839473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.839473 (E_RNA) where: Base-Base interactions energy: -706.997 where: short stacking energy: -288.592 Base-Backbone interact. energy: 1.045 local terms energy: -292.887258 where: bonds (distance) C4'-P energy: -63.757 bonds (distance) P-C4' energy: -58.208 flat angles C4'-P-C4' energy: -61.247 flat angles P-C4'-P energy: -30.973 tors. eta vs tors. theta energy: -78.702 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: 3 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -802.214923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.214923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.214923 (E_RNA) where: Base-Base interactions energy: -529.742 where: short stacking energy: -233.455 Base-Backbone interact. energy: 1.238 local terms energy: -273.710876 where: bonds (distance) C4'-P energy: -57.793 bonds (distance) P-C4' energy: -58.519 flat angles C4'-P-C4' energy: -63.030 flat angles P-C4'-P energy: -40.996 tors. eta vs tors. theta energy: -53.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -662.382979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.382979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.382979 (E_RNA) where: Base-Base interactions energy: -403.967 where: short stacking energy: -185.951 Base-Backbone interact. energy: -0.973 local terms energy: -257.442990 where: bonds (distance) C4'-P energy: -59.022 bonds (distance) P-C4' energy: -68.403 flat angles C4'-P-C4' energy: -60.154 flat angles P-C4'-P energy: -31.587 tors. eta vs tors. theta energy: -38.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -620.257186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.257186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.257186 (E_RNA) where: Base-Base interactions energy: -403.941 where: short stacking energy: -199.493 Base-Backbone interact. energy: 0.739 local terms energy: -217.055129 where: bonds (distance) C4'-P energy: -46.689 bonds (distance) P-C4' energy: -56.661 flat angles C4'-P-C4' energy: -54.689 flat angles P-C4'-P energy: -28.045 tors. eta vs tors. theta energy: -30.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -509.927703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.927703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.927703 (E_RNA) where: Base-Base interactions energy: -304.843 where: short stacking energy: -161.552 Base-Backbone interact. energy: -1.462 local terms energy: -203.622642 where: bonds (distance) C4'-P energy: -46.616 bonds (distance) P-C4' energy: -58.089 flat angles C4'-P-C4' energy: -57.604 flat angles P-C4'-P energy: -27.892 tors. eta vs tors. theta energy: -13.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -410.266683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.266683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.266683 (E_RNA) where: Base-Base interactions energy: -229.569 where: short stacking energy: -108.597 Base-Backbone interact. energy: -2.456 local terms energy: -178.242209 where: bonds (distance) C4'-P energy: -53.757 bonds (distance) P-C4' energy: -47.067 flat angles C4'-P-C4' energy: -47.799 flat angles P-C4'-P energy: -28.518 tors. eta vs tors. theta energy: -1.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -1169.317412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.317412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.317412 (E_RNA) where: Base-Base interactions energy: -829.575 where: short stacking energy: -328.580 Base-Backbone interact. energy: -2.191 local terms energy: -337.551781 where: bonds (distance) C4'-P energy: -64.720 bonds (distance) P-C4' energy: -70.646 flat angles C4'-P-C4' energy: -77.810 flat angles P-C4'-P energy: -39.844 tors. eta vs tors. theta energy: -84.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -1107.493618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.493618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.493618 (E_RNA) where: Base-Base interactions energy: -758.292 where: short stacking energy: -318.234 Base-Backbone interact. energy: -2.816 local terms energy: -346.385493 where: bonds (distance) C4'-P energy: -57.220 bonds (distance) P-C4' energy: -69.716 flat angles C4'-P-C4' energy: -77.530 flat angles P-C4'-P energy: -49.675 tors. eta vs tors. theta energy: -92.244 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: 8 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -1066.016330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.016330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.016330 (E_RNA) where: Base-Base interactions energy: -721.554 where: short stacking energy: -311.718 Base-Backbone interact. energy: -1.373 local terms energy: -343.089937 where: bonds (distance) C4'-P energy: -74.161 bonds (distance) P-C4' energy: -63.517 flat angles C4'-P-C4' energy: -71.103 flat angles P-C4'-P energy: -45.872 tors. eta vs tors. theta energy: -88.437 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: 6 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -999.737747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.737747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.737747 (E_RNA) where: Base-Base interactions energy: -675.421 where: short stacking energy: -299.895 Base-Backbone interact. energy: -1.019 local terms energy: -323.298044 where: bonds (distance) C4'-P energy: -60.872 bonds (distance) P-C4' energy: -70.574 flat angles C4'-P-C4' energy: -67.899 flat angles P-C4'-P energy: -31.832 tors. eta vs tors. theta energy: -92.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -983.265203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.265203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.265203 (E_RNA) where: Base-Base interactions energy: -706.097 where: short stacking energy: -286.499 Base-Backbone interact. energy: 0.824 local terms energy: -277.993134 where: bonds (distance) C4'-P energy: -53.897 bonds (distance) P-C4' energy: -53.795 flat angles C4'-P-C4' energy: -59.453 flat angles P-C4'-P energy: -34.513 tors. eta vs tors. theta energy: -76.335 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: 207 Temperature: 1.150000 Total energy: -775.440237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.440237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.440237 (E_RNA) where: Base-Base interactions energy: -507.719 where: short stacking energy: -228.365 Base-Backbone interact. energy: -2.130 local terms energy: -265.591711 where: bonds (distance) C4'-P energy: -52.524 bonds (distance) P-C4' energy: -54.703 flat angles C4'-P-C4' energy: -71.549 flat angles P-C4'-P energy: -42.247 tors. eta vs tors. theta energy: -44.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -684.994602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.994602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.994602 (E_RNA) where: Base-Base interactions energy: -425.600 where: short stacking energy: -190.506 Base-Backbone interact. energy: -1.353 local terms energy: -258.041854 where: bonds (distance) C4'-P energy: -59.191 bonds (distance) P-C4' energy: -60.603 flat angles C4'-P-C4' energy: -59.914 flat angles P-C4'-P energy: -37.195 tors. eta vs tors. theta energy: -41.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -662.174042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.174042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.174042 (E_RNA) where: Base-Base interactions energy: -419.055 where: short stacking energy: -177.481 Base-Backbone interact. energy: -0.549 local terms energy: -242.570270 where: bonds (distance) C4'-P energy: -58.292 bonds (distance) P-C4' energy: -52.425 flat angles C4'-P-C4' energy: -61.451 flat angles P-C4'-P energy: -36.659 tors. eta vs tors. theta energy: -33.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -488.527809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -488.527809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -488.527809 (E_RNA) where: Base-Base interactions energy: -278.766 where: short stacking energy: -153.521 Base-Backbone interact. energy: 1.059 local terms energy: -210.820372 where: bonds (distance) C4'-P energy: -38.762 bonds (distance) P-C4' energy: -50.494 flat angles C4'-P-C4' energy: -61.845 flat angles P-C4'-P energy: -43.138 tors. eta vs tors. theta energy: -16.582 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: 4 ===================================== Write number: 207 Temperature: 1.350000 Total energy: -426.130735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.130735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.130735 (E_RNA) where: Base-Base interactions energy: -236.217 where: short stacking energy: -136.397 Base-Backbone interact. energy: -0.972 local terms energy: -188.942207 where: bonds (distance) C4'-P energy: -58.275 bonds (distance) P-C4' energy: -41.727 flat angles C4'-P-C4' energy: -57.736 flat angles P-C4'-P energy: -27.168 tors. eta vs tors. theta energy: -4.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -1169.057835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.057835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.057835 (E_RNA) where: Base-Base interactions energy: -819.422 where: short stacking energy: -319.825 Base-Backbone interact. energy: -2.031 local terms energy: -347.605117 where: bonds (distance) C4'-P energy: -74.871 bonds (distance) P-C4' energy: -66.961 flat angles C4'-P-C4' energy: -71.796 flat angles P-C4'-P energy: -49.860 tors. eta vs tors. theta energy: -84.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -1095.323225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.323225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.323225 (E_RNA) where: Base-Base interactions energy: -757.650 where: short stacking energy: -329.655 Base-Backbone interact. energy: 0.476 local terms energy: -338.148845 where: bonds (distance) C4'-P energy: -70.410 bonds (distance) P-C4' energy: -56.704 flat angles C4'-P-C4' energy: -69.487 flat angles P-C4'-P energy: -51.650 tors. eta vs tors. theta energy: -89.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -1067.717854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.717854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.717854 (E_RNA) where: Base-Base interactions energy: -729.991 where: short stacking energy: -312.751 Base-Backbone interact. energy: -2.553 local terms energy: -335.174244 where: bonds (distance) C4'-P energy: -57.460 bonds (distance) P-C4' energy: -55.740 flat angles C4'-P-C4' energy: -81.366 flat angles P-C4'-P energy: -50.911 tors. eta vs tors. theta energy: -89.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -1031.339947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.339947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.339947 (E_RNA) where: Base-Base interactions energy: -696.073 where: short stacking energy: -319.480 Base-Backbone interact. energy: -0.440 local terms energy: -334.827105 where: bonds (distance) C4'-P energy: -53.243 bonds (distance) P-C4' energy: -58.084 flat angles C4'-P-C4' energy: -75.582 flat angles P-C4'-P energy: -53.566 tors. eta vs tors. theta energy: -94.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -957.684124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -957.684124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -957.684124 (E_RNA) where: Base-Base interactions energy: -662.200 where: short stacking energy: -278.900 Base-Backbone interact. energy: -3.078 local terms energy: -292.406937 where: bonds (distance) C4'-P energy: -55.093 bonds (distance) P-C4' energy: -51.194 flat angles C4'-P-C4' energy: -69.824 flat angles P-C4'-P energy: -41.156 tors. eta vs tors. theta energy: -75.140 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: 6, replica: 3 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -753.848476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.848476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.848476 (E_RNA) where: Base-Base interactions energy: -478.898 where: short stacking energy: -218.423 Base-Backbone interact. energy: 0.651 local terms energy: -275.601530 where: bonds (distance) C4'-P energy: -50.673 bonds (distance) P-C4' energy: -63.890 flat angles C4'-P-C4' energy: -62.485 flat angles P-C4'-P energy: -45.544 tors. eta vs tors. theta energy: -53.010 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: 7 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -672.133038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.133038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.133038 (E_RNA) where: Base-Base interactions energy: -404.153 where: short stacking energy: -171.919 Base-Backbone interact. energy: -0.847 local terms energy: -267.132913 where: bonds (distance) C4'-P energy: -55.267 bonds (distance) P-C4' energy: -61.166 flat angles C4'-P-C4' energy: -63.856 flat angles P-C4'-P energy: -48.432 tors. eta vs tors. theta energy: -38.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -663.862597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.862597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.862597 (E_RNA) where: Base-Base interactions energy: -422.190 where: short stacking energy: -184.120 Base-Backbone interact. energy: -0.550 local terms energy: -241.122433 where: bonds (distance) C4'-P energy: -54.282 bonds (distance) P-C4' energy: -56.013 flat angles C4'-P-C4' energy: -58.614 flat angles P-C4'-P energy: -40.518 tors. eta vs tors. theta energy: -31.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -436.859975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.859975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.859975 (E_RNA) where: Base-Base interactions energy: -242.346 where: short stacking energy: -125.551 Base-Backbone interact. energy: 0.672 local terms energy: -195.186431 where: bonds (distance) C4'-P energy: -55.874 bonds (distance) P-C4' energy: -65.375 flat angles C4'-P-C4' energy: -35.012 flat angles P-C4'-P energy: -32.707 tors. eta vs tors. theta energy: -6.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -462.738922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.738922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.738922 (E_RNA) where: Base-Base interactions energy: -248.074 where: short stacking energy: -124.806 Base-Backbone interact. energy: -0.914 local terms energy: -213.751077 where: bonds (distance) C4'-P energy: -50.834 bonds (distance) P-C4' energy: -63.453 flat angles C4'-P-C4' energy: -60.452 flat angles P-C4'-P energy: -23.542 tors. eta vs tors. theta energy: -15.469 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: 10 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -1166.675769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.675769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.675769 (E_RNA) where: Base-Base interactions energy: -827.530 where: short stacking energy: -325.011 Base-Backbone interact. energy: -3.593 local terms energy: -335.552527 where: bonds (distance) C4'-P energy: -70.795 bonds (distance) P-C4' energy: -60.236 flat angles C4'-P-C4' energy: -77.691 flat angles P-C4'-P energy: -44.389 tors. eta vs tors. theta energy: -82.441 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: 2, replica: 9 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -1090.280303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.280303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.280303 (E_RNA) where: Base-Base interactions energy: -746.698 where: short stacking energy: -319.858 Base-Backbone interact. energy: -0.474 local terms energy: -343.108667 where: bonds (distance) C4'-P energy: -63.776 bonds (distance) P-C4' energy: -62.861 flat angles C4'-P-C4' energy: -69.745 flat angles P-C4'-P energy: -51.681 tors. eta vs tors. theta energy: -95.045 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: 3, replica: 8 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -1061.192715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.192715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.192715 (E_RNA) where: Base-Base interactions energy: -743.511 where: short stacking energy: -290.839 Base-Backbone interact. energy: -1.773 local terms energy: -315.908064 where: bonds (distance) C4'-P energy: -58.476 bonds (distance) P-C4' energy: -71.192 flat angles C4'-P-C4' energy: -62.800 flat angles P-C4'-P energy: -44.992 tors. eta vs tors. theta energy: -78.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -1038.953405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.953405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.953405 (E_RNA) where: Base-Base interactions energy: -705.344 where: short stacking energy: -318.372 Base-Backbone interact. energy: 0.020 local terms energy: -333.629751 where: bonds (distance) C4'-P energy: -54.452 bonds (distance) P-C4' energy: -70.910 flat angles C4'-P-C4' energy: -71.652 flat angles P-C4'-P energy: -38.084 tors. eta vs tors. theta energy: -98.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -978.409000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -978.409000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -978.409000 (E_RNA) where: Base-Base interactions energy: -677.401 where: short stacking energy: -274.174 Base-Backbone interact. energy: -3.089 local terms energy: -297.919038 where: bonds (distance) C4'-P energy: -61.526 bonds (distance) P-C4' energy: -55.789 flat angles C4'-P-C4' energy: -66.812 flat angles P-C4'-P energy: -42.904 tors. eta vs tors. theta energy: -70.888 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: 209 Temperature: 1.150000 Total energy: -746.528778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.528778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.528778 (E_RNA) where: Base-Base interactions energy: -481.904 where: short stacking energy: -226.408 Base-Backbone interact. energy: -2.253 local terms energy: -262.371869 where: bonds (distance) C4'-P energy: -68.152 bonds (distance) P-C4' energy: -51.652 flat angles C4'-P-C4' energy: -50.550 flat angles P-C4'-P energy: -37.659 tors. eta vs tors. theta energy: -54.359 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: 7 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -699.142106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.142106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.142106 (E_RNA) where: Base-Base interactions energy: -443.762 where: short stacking energy: -204.117 Base-Backbone interact. energy: -2.037 local terms energy: -253.342550 where: bonds (distance) C4'-P energy: -52.072 bonds (distance) P-C4' energy: -58.721 flat angles C4'-P-C4' energy: -56.009 flat angles P-C4'-P energy: -41.284 tors. eta vs tors. theta energy: -45.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -635.569889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.569889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.569889 (E_RNA) where: Base-Base interactions energy: -386.578 where: short stacking energy: -173.633 Base-Backbone interact. energy: -1.440 local terms energy: -247.552273 where: bonds (distance) C4'-P energy: -60.959 bonds (distance) P-C4' energy: -63.843 flat angles C4'-P-C4' energy: -56.111 flat angles P-C4'-P energy: -36.712 tors. eta vs tors. theta energy: -29.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -475.784082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.784082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.784082 (E_RNA) where: Base-Base interactions energy: -269.967 where: short stacking energy: -151.669 Base-Backbone interact. energy: -1.532 local terms energy: -204.285421 where: bonds (distance) C4'-P energy: -55.417 bonds (distance) P-C4' energy: -53.433 flat angles C4'-P-C4' energy: -47.920 flat angles P-C4'-P energy: -25.791 tors. eta vs tors. theta energy: -21.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -470.665506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.665506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.665506 (E_RNA) where: Base-Base interactions energy: -286.943 where: short stacking energy: -143.489 Base-Backbone interact. energy: 1.648 local terms energy: -185.370998 where: bonds (distance) C4'-P energy: -52.509 bonds (distance) P-C4' energy: -51.224 flat angles C4'-P-C4' energy: -51.264 flat angles P-C4'-P energy: -21.541 tors. eta vs tors. theta energy: -8.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -1181.961411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.961411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.961411 (E_RNA) where: Base-Base interactions energy: -836.355 where: short stacking energy: -330.390 Base-Backbone interact. energy: -0.757 local terms energy: -344.849613 where: bonds (distance) C4'-P energy: -71.565 bonds (distance) P-C4' energy: -61.172 flat angles C4'-P-C4' energy: -73.391 flat angles P-C4'-P energy: -45.179 tors. eta vs tors. theta energy: -93.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -1118.173821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.173821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.173821 (E_RNA) where: Base-Base interactions energy: -773.317 where: short stacking energy: -320.486 Base-Backbone interact. energy: 0.312 local terms energy: -345.168507 where: bonds (distance) C4'-P energy: -59.352 bonds (distance) P-C4' energy: -70.736 flat angles C4'-P-C4' energy: -65.138 flat angles P-C4'-P energy: -57.704 tors. eta vs tors. theta energy: -92.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -1084.435278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.435278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.435278 (E_RNA) where: Base-Base interactions energy: -728.500 where: short stacking energy: -328.879 Base-Backbone interact. energy: -1.088 local terms energy: -354.847394 where: bonds (distance) C4'-P energy: -57.650 bonds (distance) P-C4' energy: -71.320 flat angles C4'-P-C4' energy: -76.352 flat angles P-C4'-P energy: -43.730 tors. eta vs tors. theta energy: -105.796 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: 8 ===================================== Write number: 210 Temperature: 1.050000 Total energy: -1046.944426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.944426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.944426 (E_RNA) where: Base-Base interactions energy: -712.238 where: short stacking energy: -297.986 Base-Backbone interact. energy: -1.964 local terms energy: -332.742912 where: bonds (distance) C4'-P energy: -62.010 bonds (distance) P-C4' energy: -60.091 flat angles C4'-P-C4' energy: -76.689 flat angles P-C4'-P energy: -47.919 tors. eta vs tors. theta energy: -86.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -986.825753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.825753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.825753 (E_RNA) where: Base-Base interactions energy: -677.603 where: short stacking energy: -276.832 Base-Backbone interact. energy: -1.766 local terms energy: -307.456718 where: bonds (distance) C4'-P energy: -55.319 bonds (distance) P-C4' energy: -63.108 flat angles C4'-P-C4' energy: -67.771 flat angles P-C4'-P energy: -43.396 tors. eta vs tors. theta energy: -77.862 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: 210 Temperature: 1.150000 Total energy: -747.553883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.553883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.553883 (E_RNA) where: Base-Base interactions energy: -473.161 where: short stacking energy: -208.710 Base-Backbone interact. energy: -1.600 local terms energy: -272.793257 where: bonds (distance) C4'-P energy: -52.500 bonds (distance) P-C4' energy: -58.216 flat angles C4'-P-C4' energy: -72.063 flat angles P-C4'-P energy: -42.719 tors. eta vs tors. theta energy: -47.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -743.912642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.912642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.912642 (E_RNA) where: Base-Base interactions energy: -491.034 where: short stacking energy: -227.518 Base-Backbone interact. energy: -1.054 local terms energy: -251.824233 where: bonds (distance) C4'-P energy: -52.623 bonds (distance) P-C4' energy: -60.792 flat angles C4'-P-C4' energy: -42.493 flat angles P-C4'-P energy: -42.205 tors. eta vs tors. theta energy: -53.712 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: 8, replica: 7 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -630.620092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.620092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.620092 (E_RNA) where: Base-Base interactions energy: -396.388 where: short stacking energy: -162.164 Base-Backbone interact. energy: -0.099 local terms energy: -234.132541 where: bonds (distance) C4'-P energy: -63.051 bonds (distance) P-C4' energy: -62.545 flat angles C4'-P-C4' energy: -51.614 flat angles P-C4'-P energy: -37.782 tors. eta vs tors. theta energy: -19.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -455.436431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -455.436431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -455.436431 (E_RNA) where: Base-Base interactions energy: -241.462 where: short stacking energy: -114.346 Base-Backbone interact. energy: 1.206 local terms energy: -215.179837 where: bonds (distance) C4'-P energy: -59.996 bonds (distance) P-C4' energy: -73.346 flat angles C4'-P-C4' energy: -52.003 flat angles P-C4'-P energy: -22.074 tors. eta vs tors. theta energy: -7.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -437.630119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.630119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.630119 (E_RNA) where: Base-Base interactions energy: -242.310 where: short stacking energy: -135.525 Base-Backbone interact. energy: -1.324 local terms energy: -193.996251 where: bonds (distance) C4'-P energy: -44.138 bonds (distance) P-C4' energy: -68.102 flat angles C4'-P-C4' energy: -57.056 flat angles P-C4'-P energy: -14.731 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: 10 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -1181.481864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.481864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.481864 (E_RNA) where: Base-Base interactions energy: -838.501 where: short stacking energy: -335.819 Base-Backbone interact. energy: -2.328 local terms energy: -340.652839 where: bonds (distance) C4'-P energy: -63.291 bonds (distance) P-C4' energy: -67.570 flat angles C4'-P-C4' energy: -75.364 flat angles P-C4'-P energy: -36.698 tors. eta vs tors. theta energy: -97.730 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: 9 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -1128.036080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.036080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.036080 (E_RNA) where: Base-Base interactions energy: -775.646 where: short stacking energy: -330.125 Base-Backbone interact. energy: -2.719 local terms energy: -349.670728 where: bonds (distance) C4'-P energy: -58.424 bonds (distance) P-C4' energy: -68.820 flat angles C4'-P-C4' energy: -73.266 flat angles P-C4'-P energy: -49.638 tors. eta vs tors. theta energy: -99.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -1099.893205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.893205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.893205 (E_RNA) where: Base-Base interactions energy: -747.575 where: short stacking energy: -334.168 Base-Backbone interact. energy: -2.108 local terms energy: -350.209572 where: bonds (distance) C4'-P energy: -69.199 bonds (distance) P-C4' energy: -65.660 flat angles C4'-P-C4' energy: -66.387 flat angles P-C4'-P energy: -46.635 tors. eta vs tors. theta energy: -102.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -1054.743157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.743157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.743157 (E_RNA) where: Base-Base interactions energy: -737.201 where: short stacking energy: -304.800 Base-Backbone interact. energy: -2.225 local terms energy: -315.317494 where: bonds (distance) C4'-P energy: -56.563 bonds (distance) P-C4' energy: -56.199 flat angles C4'-P-C4' energy: -73.191 flat angles P-C4'-P energy: -43.566 tors. eta vs tors. theta energy: -85.798 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: 1 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -991.902218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.902218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.902218 (E_RNA) where: Base-Base interactions energy: -699.010 where: short stacking energy: -286.992 Base-Backbone interact. energy: -2.360 local terms energy: -290.532564 where: bonds (distance) C4'-P energy: -53.703 bonds (distance) P-C4' energy: -50.086 flat angles C4'-P-C4' energy: -71.864 flat angles P-C4'-P energy: -41.027 tors. eta vs tors. theta energy: -73.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -740.448757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.448757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.448757 (E_RNA) where: Base-Base interactions energy: -469.391 where: short stacking energy: -223.801 Base-Backbone interact. energy: 0.146 local terms energy: -271.203101 where: bonds (distance) C4'-P energy: -49.595 bonds (distance) P-C4' energy: -54.320 flat angles C4'-P-C4' energy: -62.729 flat angles P-C4'-P energy: -49.384 tors. eta vs tors. theta energy: -55.175 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: 3 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -760.094742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.094742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.094742 (E_RNA) where: Base-Base interactions energy: -485.348 where: short stacking energy: -223.101 Base-Backbone interact. energy: -2.700 local terms energy: -272.046959 where: bonds (distance) C4'-P energy: -51.400 bonds (distance) P-C4' energy: -56.719 flat angles C4'-P-C4' energy: -64.845 flat angles P-C4'-P energy: -41.659 tors. eta vs tors. theta energy: -57.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -607.424453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.424453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.424453 (E_RNA) where: Base-Base interactions energy: -382.073 where: short stacking energy: -168.265 Base-Backbone interact. energy: 0.612 local terms energy: -225.963272 where: bonds (distance) C4'-P energy: -50.950 bonds (distance) P-C4' energy: -57.765 flat angles C4'-P-C4' energy: -58.374 flat angles P-C4'-P energy: -29.500 tors. eta vs tors. theta energy: -29.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -467.532791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -467.532791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -467.532791 (E_RNA) where: Base-Base interactions energy: -255.087 where: short stacking energy: -111.626 Base-Backbone interact. energy: -2.102 local terms energy: -210.344038 where: bonds (distance) C4'-P energy: -44.281 bonds (distance) P-C4' energy: -57.495 flat angles C4'-P-C4' energy: -51.802 flat angles P-C4'-P energy: -38.162 tors. eta vs tors. theta energy: -18.605 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: 10, replica: 4 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -409.894807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.894807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.894807 (E_RNA) where: Base-Base interactions energy: -211.718 where: short stacking energy: -122.980 Base-Backbone interact. energy: -0.977 local terms energy: -197.199714 where: bonds (distance) C4'-P energy: -49.417 bonds (distance) P-C4' energy: -55.386 flat angles C4'-P-C4' energy: -34.675 flat angles P-C4'-P energy: -46.582 tors. eta vs tors. theta energy: -11.140 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: 10 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -1153.325707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.325707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.325707 (E_RNA) where: Base-Base interactions energy: -819.795 where: short stacking energy: -318.246 Base-Backbone interact. energy: -2.298 local terms energy: -331.232798 where: bonds (distance) C4'-P energy: -56.889 bonds (distance) P-C4' energy: -71.187 flat angles C4'-P-C4' energy: -74.748 flat angles P-C4'-P energy: -41.121 tors. eta vs tors. theta energy: -87.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -1127.428895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.428895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.428895 (E_RNA) where: Base-Base interactions energy: -780.746 where: short stacking energy: -327.610 Base-Backbone interact. energy: -0.909 local terms energy: -345.773605 where: bonds (distance) C4'-P energy: -69.293 bonds (distance) P-C4' energy: -57.583 flat angles C4'-P-C4' energy: -72.563 flat angles P-C4'-P energy: -50.515 tors. eta vs tors. theta energy: -95.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -1076.044736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.044736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.044736 (E_RNA) where: Base-Base interactions energy: -750.882 where: short stacking energy: -326.203 Base-Backbone interact. energy: -0.636 local terms energy: -324.526268 where: bonds (distance) C4'-P energy: -44.686 bonds (distance) P-C4' energy: -61.180 flat angles C4'-P-C4' energy: -71.424 flat angles P-C4'-P energy: -44.111 tors. eta vs tors. theta energy: -103.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 212 Temperature: 1.050000 Total energy: -1006.840529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.840529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.840529 (E_RNA) where: Base-Base interactions energy: -676.209 where: short stacking energy: -277.873 Base-Backbone interact. energy: 2.285 local terms energy: -332.916202 where: bonds (distance) C4'-P energy: -67.440 bonds (distance) P-C4' energy: -70.416 flat angles C4'-P-C4' energy: -67.754 flat angles P-C4'-P energy: -53.133 tors. eta vs tors. theta energy: -74.173 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: 1 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -993.069955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.069955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.069955 (E_RNA) where: Base-Base interactions energy: -681.998 where: short stacking energy: -285.268 Base-Backbone interact. energy: -0.864 local terms energy: -310.208916 where: bonds (distance) C4'-P energy: -65.512 bonds (distance) P-C4' energy: -57.425 flat angles C4'-P-C4' energy: -76.753 flat angles P-C4'-P energy: -39.434 tors. eta vs tors. theta energy: -71.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -728.764979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.764979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.764979 (E_RNA) where: Base-Base interactions energy: -458.578 where: short stacking energy: -215.144 Base-Backbone interact. energy: -1.555 local terms energy: -268.632528 where: bonds (distance) C4'-P energy: -59.274 bonds (distance) P-C4' energy: -69.052 flat angles C4'-P-C4' energy: -68.823 flat angles P-C4'-P energy: -30.743 tors. eta vs tors. theta energy: -40.741 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: 3 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -720.637704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.637704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.637704 (E_RNA) where: Base-Base interactions energy: -456.611 where: short stacking energy: -210.451 Base-Backbone interact. energy: -2.885 local terms energy: -261.141881 where: bonds (distance) C4'-P energy: -59.189 bonds (distance) P-C4' energy: -54.740 flat angles C4'-P-C4' energy: -50.260 flat angles P-C4'-P energy: -43.780 tors. eta vs tors. theta energy: -53.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -561.221777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.221777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.221777 (E_RNA) where: Base-Base interactions energy: -351.691 where: short stacking energy: -159.564 Base-Backbone interact. energy: 0.009 local terms energy: -209.539044 where: bonds (distance) C4'-P energy: -50.897 bonds (distance) P-C4' energy: -49.786 flat angles C4'-P-C4' energy: -54.192 flat angles P-C4'-P energy: -30.296 tors. eta vs tors. theta energy: -24.369 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: 9, replica: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -490.447647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -490.447647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -490.447647 (E_RNA) where: Base-Base interactions energy: -288.780 where: short stacking energy: -139.135 Base-Backbone interact. energy: 0.506 local terms energy: -202.173672 where: bonds (distance) C4'-P energy: -55.327 bonds (distance) P-C4' energy: -60.976 flat angles C4'-P-C4' energy: -44.013 flat angles P-C4'-P energy: -22.180 tors. eta vs tors. theta energy: -19.678 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: 4 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -425.373813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.373813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.373813 (E_RNA) where: Base-Base interactions energy: -239.984 where: short stacking energy: -125.413 Base-Backbone interact. energy: 1.400 local terms energy: -186.789440 where: bonds (distance) C4'-P energy: -59.195 bonds (distance) P-C4' energy: -50.056 flat angles C4'-P-C4' energy: -44.761 flat angles P-C4'-P energy: -22.506 tors. eta vs tors. theta energy: -10.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -1158.272761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.272761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.272761 (E_RNA) where: Base-Base interactions energy: -794.026 where: short stacking energy: -318.161 Base-Backbone interact. energy: -3.467 local terms energy: -360.779361 where: bonds (distance) C4'-P energy: -73.851 bonds (distance) P-C4' energy: -66.780 flat angles C4'-P-C4' energy: -77.600 flat angles P-C4'-P energy: -51.689 tors. eta vs tors. theta energy: -90.860 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: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -1138.928022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.928022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.928022 (E_RNA) where: Base-Base interactions energy: -779.119 where: short stacking energy: -313.050 Base-Backbone interact. energy: -1.925 local terms energy: -357.884010 where: bonds (distance) C4'-P energy: -64.973 bonds (distance) P-C4' energy: -71.132 flat angles C4'-P-C4' energy: -81.385 flat angles P-C4'-P energy: -50.083 tors. eta vs tors. theta energy: -90.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -1072.997526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.997526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.997526 (E_RNA) where: Base-Base interactions energy: -730.782 where: short stacking energy: -329.271 Base-Backbone interact. energy: -0.846 local terms energy: -341.369262 where: bonds (distance) C4'-P energy: -54.628 bonds (distance) P-C4' energy: -69.833 flat angles C4'-P-C4' energy: -68.146 flat angles P-C4'-P energy: -47.330 tors. eta vs tors. theta energy: -101.432 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: 1 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -1017.481604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.481604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.481604 (E_RNA) where: Base-Base interactions energy: -710.813 where: short stacking energy: -315.864 Base-Backbone interact. energy: -0.190 local terms energy: -306.478879 where: bonds (distance) C4'-P energy: -58.992 bonds (distance) P-C4' energy: -62.816 flat angles C4'-P-C4' energy: -65.095 flat angles P-C4'-P energy: -35.559 tors. eta vs tors. theta energy: -84.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -985.846810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -985.846810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -985.846810 (E_RNA) where: Base-Base interactions energy: -680.483 where: short stacking energy: -285.690 Base-Backbone interact. energy: -2.639 local terms energy: -302.725014 where: bonds (distance) C4'-P energy: -56.032 bonds (distance) P-C4' energy: -66.470 flat angles C4'-P-C4' energy: -71.927 flat angles P-C4'-P energy: -35.453 tors. eta vs tors. theta energy: -72.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -752.308084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.308084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.308084 (E_RNA) where: Base-Base interactions energy: -489.685 where: short stacking energy: -222.928 Base-Backbone interact. energy: -0.721 local terms energy: -261.901638 where: bonds (distance) C4'-P energy: -42.752 bonds (distance) P-C4' energy: -63.346 flat angles C4'-P-C4' energy: -63.075 flat angles P-C4'-P energy: -41.568 tors. eta vs tors. theta energy: -51.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -733.422418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -733.422418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -733.422418 (E_RNA) where: Base-Base interactions energy: -505.282 where: short stacking energy: -214.876 Base-Backbone interact. energy: -1.220 local terms energy: -226.920683 where: bonds (distance) C4'-P energy: -38.228 bonds (distance) P-C4' energy: -50.896 flat angles C4'-P-C4' energy: -45.848 flat angles P-C4'-P energy: -41.644 tors. eta vs tors. theta energy: -50.305 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: 7 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -577.527528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.527528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.527528 (E_RNA) where: Base-Base interactions energy: -351.889 where: short stacking energy: -166.953 Base-Backbone interact. energy: -0.545 local terms energy: -225.093919 where: bonds (distance) C4'-P energy: -52.406 bonds (distance) P-C4' energy: -55.806 flat angles C4'-P-C4' energy: -55.756 flat angles P-C4'-P energy: -30.927 tors. eta vs tors. theta energy: -30.199 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: 2 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -421.180015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.180015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.180015 (E_RNA) where: Base-Base interactions energy: -222.948 where: short stacking energy: -110.564 Base-Backbone interact. energy: 0.775 local terms energy: -199.007132 where: bonds (distance) C4'-P energy: -56.564 bonds (distance) P-C4' energy: -56.480 flat angles C4'-P-C4' energy: -50.380 flat angles P-C4'-P energy: -24.819 tors. eta vs tors. theta energy: -10.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -428.397671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.397671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.397671 (E_RNA) where: Base-Base interactions energy: -242.892 where: short stacking energy: -115.880 Base-Backbone interact. energy: 1.573 local terms energy: -187.078703 where: bonds (distance) C4'-P energy: -59.168 bonds (distance) P-C4' energy: -56.158 flat angles C4'-P-C4' energy: -27.467 flat angles P-C4'-P energy: -35.169 tors. eta vs tors. theta energy: -9.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -1164.386123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.386123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.386123 (E_RNA) where: Base-Base interactions energy: -812.743 where: short stacking energy: -344.380 Base-Backbone interact. energy: -1.049 local terms energy: -350.594932 where: bonds (distance) C4'-P energy: -62.527 bonds (distance) P-C4' energy: -65.808 flat angles C4'-P-C4' energy: -73.461 flat angles P-C4'-P energy: -48.885 tors. eta vs tors. theta energy: -99.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -1143.737389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.737389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.737389 (E_RNA) where: Base-Base interactions energy: -806.118 where: short stacking energy: -316.939 Base-Backbone interact. energy: -3.979 local terms energy: -333.641055 where: bonds (distance) C4'-P energy: -56.505 bonds (distance) P-C4' energy: -70.191 flat angles C4'-P-C4' energy: -74.578 flat angles P-C4'-P energy: -44.006 tors. eta vs tors. theta energy: -88.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -1076.871516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.871516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.871516 (E_RNA) where: Base-Base interactions energy: -725.681 where: short stacking energy: -333.229 Base-Backbone interact. energy: -1.451 local terms energy: -349.739224 where: bonds (distance) C4'-P energy: -64.278 bonds (distance) P-C4' energy: -62.995 flat angles C4'-P-C4' energy: -72.318 flat angles P-C4'-P energy: -44.698 tors. eta vs tors. theta energy: -105.450 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: 1 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -1009.008774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.008774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.008774 (E_RNA) where: Base-Base interactions energy: -700.324 where: short stacking energy: -300.814 Base-Backbone interact. energy: 2.067 local terms energy: -310.752161 where: bonds (distance) C4'-P energy: -58.652 bonds (distance) P-C4' energy: -65.828 flat angles C4'-P-C4' energy: -62.838 flat angles P-C4'-P energy: -39.701 tors. eta vs tors. theta energy: -83.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -1007.352856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.352856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.352856 (E_RNA) where: Base-Base interactions energy: -687.849 where: short stacking energy: -300.417 Base-Backbone interact. energy: -0.942 local terms energy: -318.561560 where: bonds (distance) C4'-P energy: -48.715 bonds (distance) P-C4' energy: -61.782 flat angles C4'-P-C4' energy: -70.921 flat angles P-C4'-P energy: -45.570 tors. eta vs tors. theta energy: -91.573 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: 3 ===================================== Write number: 214 Temperature: 1.150000 Total energy: -770.738189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.738189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.738189 (E_RNA) where: Base-Base interactions energy: -494.342 where: short stacking energy: -230.453 Base-Backbone interact. energy: -2.559 local terms energy: -273.837666 where: bonds (distance) C4'-P energy: -67.374 bonds (distance) P-C4' energy: -59.897 flat angles C4'-P-C4' energy: -56.025 flat angles P-C4'-P energy: -42.664 tors. eta vs tors. theta energy: -47.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -721.532638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.532638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.532638 (E_RNA) where: Base-Base interactions energy: -471.023 where: short stacking energy: -223.586 Base-Backbone interact. energy: 2.758 local terms energy: -253.267854 where: bonds (distance) C4'-P energy: -56.854 bonds (distance) P-C4' energy: -53.154 flat angles C4'-P-C4' energy: -58.529 flat angles P-C4'-P energy: -37.910 tors. eta vs tors. theta energy: -46.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -581.571715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.571715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.571715 (E_RNA) where: Base-Base interactions energy: -353.000 where: short stacking energy: -179.815 Base-Backbone interact. energy: -1.809 local terms energy: -226.762129 where: bonds (distance) C4'-P energy: -59.346 bonds (distance) P-C4' energy: -56.062 flat angles C4'-P-C4' energy: -50.463 flat angles P-C4'-P energy: -31.767 tors. eta vs tors. theta energy: -29.125 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: 2 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -435.494793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.494793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.494793 (E_RNA) where: Base-Base interactions energy: -242.727 where: short stacking energy: -131.249 Base-Backbone interact. energy: 0.489 local terms energy: -193.256169 where: bonds (distance) C4'-P energy: -50.032 bonds (distance) P-C4' energy: -62.093 flat angles C4'-P-C4' energy: -46.812 flat angles P-C4'-P energy: -22.131 tors. eta vs tors. theta energy: -12.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -438.202198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.202198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.202198 (E_RNA) where: Base-Base interactions energy: -224.611 where: short stacking energy: -123.379 Base-Backbone interact. energy: -0.486 local terms energy: -213.105007 where: bonds (distance) C4'-P energy: -56.743 bonds (distance) P-C4' energy: -62.770 flat angles C4'-P-C4' energy: -43.016 flat angles P-C4'-P energy: -31.312 tors. eta vs tors. theta energy: -19.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -1162.600863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.600863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.600863 (E_RNA) where: Base-Base interactions energy: -814.432 where: short stacking energy: -343.295 Base-Backbone interact. energy: -1.313 local terms energy: -346.856162 where: bonds (distance) C4'-P energy: -65.584 bonds (distance) P-C4' energy: -69.774 flat angles C4'-P-C4' energy: -68.228 flat angles P-C4'-P energy: -47.052 tors. eta vs tors. theta energy: -96.218 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: 10 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -1126.925098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.925098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.925098 (E_RNA) where: Base-Base interactions energy: -794.532 where: short stacking energy: -307.457 Base-Backbone interact. energy: -2.385 local terms energy: -330.008756 where: bonds (distance) C4'-P energy: -65.952 bonds (distance) P-C4' energy: -60.502 flat angles C4'-P-C4' energy: -71.815 flat angles P-C4'-P energy: -41.622 tors. eta vs tors. theta energy: -90.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -1073.097097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.097097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.097097 (E_RNA) where: Base-Base interactions energy: -719.313 where: short stacking energy: -339.853 Base-Backbone interact. energy: -1.910 local terms energy: -351.874691 where: bonds (distance) C4'-P energy: -65.232 bonds (distance) P-C4' energy: -71.861 flat angles C4'-P-C4' energy: -68.922 flat angles P-C4'-P energy: -37.860 tors. eta vs tors. theta energy: -107.999 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: 8 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -1032.692169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.692169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.692169 (E_RNA) where: Base-Base interactions energy: -709.294 where: short stacking energy: -305.476 Base-Backbone interact. energy: -1.464 local terms energy: -321.934310 where: bonds (distance) C4'-P energy: -59.572 bonds (distance) P-C4' energy: -70.080 flat angles C4'-P-C4' energy: -66.345 flat angles P-C4'-P energy: -46.708 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: 5, replica: 1 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -962.321615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.321615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.321615 (E_RNA) where: Base-Base interactions energy: -682.147 where: short stacking energy: -280.190 Base-Backbone interact. energy: 1.901 local terms energy: -282.075638 where: bonds (distance) C4'-P energy: -41.963 bonds (distance) P-C4' energy: -64.651 flat angles C4'-P-C4' energy: -63.088 flat angles P-C4'-P energy: -38.783 tors. eta vs tors. theta energy: -73.592 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: 5 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -767.847846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.847846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.847846 (E_RNA) where: Base-Base interactions energy: -509.131 where: short stacking energy: -235.180 Base-Backbone interact. energy: -1.661 local terms energy: -257.056202 where: bonds (distance) C4'-P energy: -50.340 bonds (distance) P-C4' energy: -64.845 flat angles C4'-P-C4' energy: -48.773 flat angles P-C4'-P energy: -47.323 tors. eta vs tors. theta energy: -45.775 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: 7, replica: 3 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -716.069694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.069694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.069694 (E_RNA) where: Base-Base interactions energy: -464.173 where: short stacking energy: -208.858 Base-Backbone interact. energy: -1.815 local terms energy: -250.082362 where: bonds (distance) C4'-P energy: -62.142 bonds (distance) P-C4' energy: -50.001 flat angles C4'-P-C4' energy: -63.496 flat angles P-C4'-P energy: -37.271 tors. eta vs tors. theta energy: -37.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -444.634592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.634592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.634592 (E_RNA) where: Base-Base interactions energy: -235.530 where: short stacking energy: -133.897 Base-Backbone interact. energy: -1.529 local terms energy: -207.575580 where: bonds (distance) C4'-P energy: -63.151 bonds (distance) P-C4' energy: -62.665 flat angles C4'-P-C4' energy: -47.476 flat angles P-C4'-P energy: -28.979 tors. eta vs tors. theta energy: -5.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -551.375287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.375287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.375287 (E_RNA) where: Base-Base interactions energy: -311.496 where: short stacking energy: -149.952 Base-Backbone interact. energy: 0.689 local terms energy: -240.567734 where: bonds (distance) C4'-P energy: -55.767 bonds (distance) P-C4' energy: -62.308 flat angles C4'-P-C4' energy: -55.567 flat angles P-C4'-P energy: -43.600 tors. eta vs tors. theta energy: -23.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -408.952049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.952049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.952049 (E_RNA) where: Base-Base interactions energy: -229.820 where: short stacking energy: -116.836 Base-Backbone interact. energy: -2.077 local terms energy: -177.055549 where: bonds (distance) C4'-P energy: -36.616 bonds (distance) P-C4' energy: -55.895 flat angles C4'-P-C4' energy: -51.778 flat angles P-C4'-P energy: -27.962 tors. eta vs tors. theta energy: -4.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -1176.207535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.207535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.207535 (E_RNA) where: Base-Base interactions energy: -801.090 where: short stacking energy: -341.666 Base-Backbone interact. energy: -3.621 local terms energy: -371.496597 where: bonds (distance) C4'-P energy: -66.627 bonds (distance) P-C4' energy: -70.332 flat angles C4'-P-C4' energy: -76.185 flat angles P-C4'-P energy: -54.364 tors. eta vs tors. theta energy: -103.988 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: 10 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -1157.669240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.669240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.669240 (E_RNA) where: Base-Base interactions energy: -817.373 where: short stacking energy: -316.319 Base-Backbone interact. energy: -3.125 local terms energy: -337.170825 where: bonds (distance) C4'-P energy: -53.681 bonds (distance) P-C4' energy: -68.495 flat angles C4'-P-C4' energy: -75.274 flat angles P-C4'-P energy: -44.010 tors. eta vs tors. theta energy: -95.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -1069.580908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.580908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.580908 (E_RNA) where: Base-Base interactions energy: -723.983 where: short stacking energy: -339.362 Base-Backbone interact. energy: -1.256 local terms energy: -344.341775 where: bonds (distance) C4'-P energy: -62.189 bonds (distance) P-C4' energy: -63.554 flat angles C4'-P-C4' energy: -66.895 flat angles P-C4'-P energy: -46.804 tors. eta vs tors. theta energy: -104.898 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: 8 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -1007.297069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.297069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.297069 (E_RNA) where: Base-Base interactions energy: -691.942 where: short stacking energy: -302.841 Base-Backbone interact. energy: 0.023 local terms energy: -315.378316 where: bonds (distance) C4'-P energy: -60.218 bonds (distance) P-C4' energy: -57.213 flat angles C4'-P-C4' energy: -64.591 flat angles P-C4'-P energy: -47.740 tors. eta vs tors. theta energy: -85.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -979.748012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -979.748012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -979.748012 (E_RNA) where: Base-Base interactions energy: -696.711 where: short stacking energy: -275.824 Base-Backbone interact. energy: -1.277 local terms energy: -281.759770 where: bonds (distance) C4'-P energy: -53.877 bonds (distance) P-C4' energy: -49.040 flat angles C4'-P-C4' energy: -64.629 flat angles P-C4'-P energy: -41.726 tors. eta vs tors. theta energy: -72.488 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: 5 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -811.865589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.865589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.865589 (E_RNA) where: Base-Base interactions energy: -548.049 where: short stacking energy: -241.289 Base-Backbone interact. energy: 0.098 local terms energy: -263.914827 where: bonds (distance) C4'-P energy: -48.961 bonds (distance) P-C4' energy: -61.050 flat angles C4'-P-C4' energy: -63.195 flat angles P-C4'-P energy: -29.539 tors. eta vs tors. theta energy: -61.170 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: 3 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -690.226790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.226790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.226790 (E_RNA) where: Base-Base interactions energy: -419.726 where: short stacking energy: -191.488 Base-Backbone interact. energy: -1.670 local terms energy: -268.831040 where: bonds (distance) C4'-P energy: -56.906 bonds (distance) P-C4' energy: -60.248 flat angles C4'-P-C4' energy: -67.099 flat angles P-C4'-P energy: -46.107 tors. eta vs tors. theta energy: -38.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -433.990682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.990682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.990682 (E_RNA) where: Base-Base interactions energy: -212.156 where: short stacking energy: -118.364 Base-Backbone interact. energy: 2.447 local terms energy: -224.281515 where: bonds (distance) C4'-P energy: -53.105 bonds (distance) P-C4' energy: -62.542 flat angles C4'-P-C4' energy: -53.066 flat angles P-C4'-P energy: -41.035 tors. eta vs tors. theta energy: -14.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -597.904180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -597.904180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -597.904180 (E_RNA) where: Base-Base interactions energy: -351.035 where: short stacking energy: -185.871 Base-Backbone interact. energy: 1.057 local terms energy: -247.925927 where: bonds (distance) C4'-P energy: -62.201 bonds (distance) P-C4' energy: -61.910 flat angles C4'-P-C4' energy: -57.153 flat angles P-C4'-P energy: -37.267 tors. eta vs tors. theta energy: -29.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -428.685482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.685482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.685482 (E_RNA) where: Base-Base interactions energy: -212.542 where: short stacking energy: -122.945 Base-Backbone interact. energy: 1.053 local terms energy: -217.196456 where: bonds (distance) C4'-P energy: -67.288 bonds (distance) P-C4' energy: -57.219 flat angles C4'-P-C4' energy: -37.095 flat angles P-C4'-P energy: -32.261 tors. eta vs tors. theta energy: -23.332 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: 1, replica: 9 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -1178.046975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.046975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.046975 (E_RNA) where: Base-Base interactions energy: -811.490 where: short stacking energy: -330.206 Base-Backbone interact. energy: -2.450 local terms energy: -364.107583 where: bonds (distance) C4'-P energy: -60.719 bonds (distance) P-C4' energy: -69.237 flat angles C4'-P-C4' energy: -74.425 flat angles P-C4'-P energy: -60.979 tors. eta vs tors. theta energy: -98.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -1153.699021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.699021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.699021 (E_RNA) where: Base-Base interactions energy: -791.909 where: short stacking energy: -310.946 Base-Backbone interact. energy: -4.494 local terms energy: -357.296223 where: bonds (distance) C4'-P energy: -71.656 bonds (distance) P-C4' energy: -64.636 flat angles C4'-P-C4' energy: -75.339 flat angles P-C4'-P energy: -51.089 tors. eta vs tors. theta energy: -94.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -1061.825527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.825527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.825527 (E_RNA) where: Base-Base interactions energy: -711.877 where: short stacking energy: -320.158 Base-Backbone interact. energy: -0.583 local terms energy: -349.365381 where: bonds (distance) C4'-P energy: -72.764 bonds (distance) P-C4' energy: -69.963 flat angles C4'-P-C4' energy: -70.907 flat angles P-C4'-P energy: -41.172 tors. eta vs tors. theta energy: -94.559 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: 4, replica: 8 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -1009.244538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.244538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.244538 (E_RNA) where: Base-Base interactions energy: -673.960 where: short stacking energy: -301.923 Base-Backbone interact. energy: -0.616 local terms energy: -334.667949 where: bonds (distance) C4'-P energy: -60.192 bonds (distance) P-C4' energy: -56.797 flat angles C4'-P-C4' energy: -75.898 flat angles P-C4'-P energy: -48.289 tors. eta vs tors. theta energy: -93.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -961.014789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.014789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.014789 (E_RNA) where: Base-Base interactions energy: -666.406 where: short stacking energy: -279.172 Base-Backbone interact. energy: -0.026 local terms energy: -294.583429 where: bonds (distance) C4'-P energy: -51.473 bonds (distance) P-C4' energy: -61.072 flat angles C4'-P-C4' energy: -65.720 flat angles P-C4'-P energy: -37.372 tors. eta vs tors. theta energy: -78.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -800.955300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.955300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.955300 (E_RNA) where: Base-Base interactions energy: -523.937 where: short stacking energy: -226.512 Base-Backbone interact. energy: -3.833 local terms energy: -273.185705 where: bonds (distance) C4'-P energy: -56.366 bonds (distance) P-C4' energy: -54.041 flat angles C4'-P-C4' energy: -59.006 flat angles P-C4'-P energy: -40.381 tors. eta vs tors. theta energy: -63.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -717.370543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.370543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.370543 (E_RNA) where: Base-Base interactions energy: -467.384 where: short stacking energy: -218.624 Base-Backbone interact. energy: 0.230 local terms energy: -250.217171 where: bonds (distance) C4'-P energy: -36.240 bonds (distance) P-C4' energy: -55.120 flat angles C4'-P-C4' energy: -65.596 flat angles P-C4'-P energy: -40.581 tors. eta vs tors. theta energy: -52.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -613.493616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.493616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.493616 (E_RNA) where: Base-Base interactions energy: -362.705 where: short stacking energy: -176.087 Base-Backbone interact. energy: -1.301 local terms energy: -249.487976 where: bonds (distance) C4'-P energy: -52.207 bonds (distance) P-C4' energy: -58.487 flat angles C4'-P-C4' energy: -58.582 flat angles P-C4'-P energy: -40.134 tors. eta vs tors. theta energy: -40.077 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: 9, replica: 2 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -427.726892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.726892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.726892 (E_RNA) where: Base-Base interactions energy: -216.850 where: short stacking energy: -131.858 Base-Backbone interact. energy: 0.134 local terms energy: -211.010906 where: bonds (distance) C4'-P energy: -60.668 bonds (distance) P-C4' energy: -53.674 flat angles C4'-P-C4' energy: -53.648 flat angles P-C4'-P energy: -36.411 tors. eta vs tors. theta energy: -6.611 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -430.641149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.641149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.641149 (E_RNA) where: Base-Base interactions energy: -215.436 where: short stacking energy: -130.194 Base-Backbone interact. energy: -0.932 local terms energy: -214.272330 where: bonds (distance) C4'-P energy: -52.119 bonds (distance) P-C4' energy: -59.862 flat angles C4'-P-C4' energy: -57.362 flat angles P-C4'-P energy: -34.779 tors. eta vs tors. theta energy: -10.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -1153.816761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.816761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.816761 (E_RNA) where: Base-Base interactions energy: -794.505 where: short stacking energy: -311.019 Base-Backbone interact. energy: -0.968 local terms energy: -358.343367 where: bonds (distance) C4'-P energy: -73.851 bonds (distance) P-C4' energy: -67.445 flat angles C4'-P-C4' energy: -73.063 flat angles P-C4'-P energy: -51.382 tors. eta vs tors. theta energy: -92.601 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: 2, replica: 9 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -1134.076460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.076460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.076460 (E_RNA) where: Base-Base interactions energy: -795.237 where: short stacking energy: -321.056 Base-Backbone interact. energy: -3.394 local terms energy: -335.445965 where: bonds (distance) C4'-P energy: -51.289 bonds (distance) P-C4' energy: -66.484 flat angles C4'-P-C4' energy: -69.328 flat angles P-C4'-P energy: -48.793 tors. eta vs tors. theta energy: -99.551 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: 3, replica: 6 ===================================== Write number: 218 Temperature: 1.000000 Total energy: -1076.706751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.706751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.706751 (E_RNA) where: Base-Base interactions energy: -717.961 where: short stacking energy: -319.899 Base-Backbone interact. energy: 0.855 local terms energy: -359.600734 where: bonds (distance) C4'-P energy: -65.294 bonds (distance) P-C4' energy: -69.318 flat angles C4'-P-C4' energy: -75.284 flat angles P-C4'-P energy: -47.837 tors. eta vs tors. theta energy: -101.868 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: 8 ===================================== Write number: 218 Temperature: 1.050000 Total energy: -992.919786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -992.919786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -992.919786 (E_RNA) where: Base-Base interactions energy: -680.091 where: short stacking energy: -278.772 Base-Backbone interact. energy: -0.276 local terms energy: -312.552638 where: bonds (distance) C4'-P energy: -60.209 bonds (distance) P-C4' energy: -62.566 flat angles C4'-P-C4' energy: -63.954 flat angles P-C4'-P energy: -51.527 tors. eta vs tors. theta energy: -74.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -951.412559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.412559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.412559 (E_RNA) where: Base-Base interactions energy: -632.562 where: short stacking energy: -272.006 Base-Backbone interact. energy: -2.289 local terms energy: -316.560836 where: bonds (distance) C4'-P energy: -66.249 bonds (distance) P-C4' energy: -67.510 flat angles C4'-P-C4' energy: -69.145 flat angles P-C4'-P energy: -50.166 tors. eta vs tors. theta energy: -63.490 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: 6, replica: 5 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -790.880738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -790.880738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -790.880738 (E_RNA) where: Base-Base interactions energy: -508.903 where: short stacking energy: -231.964 Base-Backbone interact. energy: -1.171 local terms energy: -280.807428 where: bonds (distance) C4'-P energy: -58.078 bonds (distance) P-C4' energy: -47.227 flat angles C4'-P-C4' energy: -67.695 flat angles P-C4'-P energy: -46.408 tors. eta vs tors. theta energy: -61.399 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: 3 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -674.621067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.621067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.621067 (E_RNA) where: Base-Base interactions energy: -435.233 where: short stacking energy: -183.523 Base-Backbone interact. energy: -0.635 local terms energy: -238.753803 where: bonds (distance) C4'-P energy: -46.638 bonds (distance) P-C4' energy: -54.347 flat angles C4'-P-C4' energy: -52.098 flat angles P-C4'-P energy: -41.343 tors. eta vs tors. theta energy: -44.328 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: 7 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -601.685502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.685502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.685502 (E_RNA) where: Base-Base interactions energy: -356.819 where: short stacking energy: -168.776 Base-Backbone interact. energy: -1.346 local terms energy: -243.520536 where: bonds (distance) C4'-P energy: -57.380 bonds (distance) P-C4' energy: -57.961 flat angles C4'-P-C4' energy: -58.189 flat angles P-C4'-P energy: -41.435 tors. eta vs tors. theta energy: -28.555 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: 4 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -451.033891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.033891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.033891 (E_RNA) where: Base-Base interactions energy: -260.246 where: short stacking energy: -157.146 Base-Backbone interact. energy: 0.903 local terms energy: -191.690901 where: bonds (distance) C4'-P energy: -44.476 bonds (distance) P-C4' energy: -49.231 flat angles C4'-P-C4' energy: -43.424 flat angles P-C4'-P energy: -26.106 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: 10, replica: 2 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -392.453595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -392.453595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -392.453595 (E_RNA) where: Base-Base interactions energy: -192.644 where: short stacking energy: -107.928 Base-Backbone interact. energy: 0.548 local terms energy: -200.357428 where: bonds (distance) C4'-P energy: -61.390 bonds (distance) P-C4' energy: -56.795 flat angles C4'-P-C4' energy: -54.049 flat angles P-C4'-P energy: -27.605 tors. eta vs tors. theta energy: -0.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -1169.012636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.012636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.012636 (E_RNA) where: Base-Base interactions energy: -830.425 where: short stacking energy: -332.860 Base-Backbone interact. energy: -2.467 local terms energy: -336.120167 where: bonds (distance) C4'-P energy: -64.966 bonds (distance) P-C4' energy: -67.749 flat angles C4'-P-C4' energy: -68.745 flat angles P-C4'-P energy: -43.324 tors. eta vs tors. theta energy: -91.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -1120.230469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.230469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.230469 (E_RNA) where: Base-Base interactions energy: -758.723 where: short stacking energy: -322.585 Base-Backbone interact. energy: -1.852 local terms energy: -359.655052 where: bonds (distance) C4'-P energy: -63.991 bonds (distance) P-C4' energy: -64.529 flat angles C4'-P-C4' energy: -78.171 flat angles P-C4'-P energy: -58.291 tors. eta vs tors. theta energy: -94.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -1080.571394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.571394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.571394 (E_RNA) where: Base-Base interactions energy: -735.211 where: short stacking energy: -316.365 Base-Backbone interact. energy: -0.382 local terms energy: -344.978574 where: bonds (distance) C4'-P energy: -68.186 bonds (distance) P-C4' energy: -63.953 flat angles C4'-P-C4' energy: -71.505 flat angles P-C4'-P energy: -49.844 tors. eta vs tors. theta energy: -91.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -1008.157395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.157395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.157395 (E_RNA) where: Base-Base interactions energy: -682.760 where: short stacking energy: -291.416 Base-Backbone interact. energy: -1.603 local terms energy: -323.794403 where: bonds (distance) C4'-P energy: -60.077 bonds (distance) P-C4' energy: -69.935 flat angles C4'-P-C4' energy: -67.413 flat angles P-C4'-P energy: -44.403 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: 5, replica: 1 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -946.408013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.408013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.408013 (E_RNA) where: Base-Base interactions energy: -652.679 where: short stacking energy: -268.483 Base-Backbone interact. energy: -4.949 local terms energy: -288.779294 where: bonds (distance) C4'-P energy: -51.977 bonds (distance) P-C4' energy: -71.430 flat angles C4'-P-C4' energy: -57.094 flat angles P-C4'-P energy: -35.788 tors. eta vs tors. theta energy: -72.490 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: 6, replica: 5 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -781.072569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.072569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.072569 (E_RNA) where: Base-Base interactions energy: -515.449 where: short stacking energy: -207.660 Base-Backbone interact. energy: -1.116 local terms energy: -264.507366 where: bonds (distance) C4'-P energy: -58.951 bonds (distance) P-C4' energy: -54.737 flat angles C4'-P-C4' energy: -58.071 flat angles P-C4'-P energy: -43.163 tors. eta vs tors. theta energy: -49.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -700.689562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.689562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.689562 (E_RNA) where: Base-Base interactions energy: -452.973 where: short stacking energy: -204.454 Base-Backbone interact. energy: 1.198 local terms energy: -248.914001 where: bonds (distance) C4'-P energy: -56.608 bonds (distance) P-C4' energy: -59.290 flat angles C4'-P-C4' energy: -56.739 flat angles P-C4'-P energy: -32.321 tors. eta vs tors. theta energy: -43.956 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: 8, replica: 7 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -612.562028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.562028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.562028 (E_RNA) where: Base-Base interactions energy: -373.341 where: short stacking energy: -188.717 Base-Backbone interact. energy: -0.217 local terms energy: -239.003350 where: bonds (distance) C4'-P energy: -50.412 bonds (distance) P-C4' energy: -63.089 flat angles C4'-P-C4' energy: -52.618 flat angles P-C4'-P energy: -31.662 tors. eta vs tors. theta energy: -41.222 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: 4 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -440.982319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.982319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.982319 (E_RNA) where: Base-Base interactions energy: -245.272 where: short stacking energy: -132.089 Base-Backbone interact. energy: 1.973 local terms energy: -197.682821 where: bonds (distance) C4'-P energy: -55.089 bonds (distance) P-C4' energy: -46.958 flat angles C4'-P-C4' energy: -53.117 flat angles P-C4'-P energy: -37.529 tors. eta vs tors. theta energy: -4.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -411.670674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.670674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.670674 (E_RNA) where: Base-Base interactions energy: -224.130 where: short stacking energy: -116.310 Base-Backbone interact. energy: -1.160 local terms energy: -186.380186 where: bonds (distance) C4'-P energy: -42.451 bonds (distance) P-C4' energy: -54.224 flat angles C4'-P-C4' energy: -55.440 flat angles P-C4'-P energy: -24.583 tors. eta vs tors. theta energy: -9.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -1171.315788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.315788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.315788 (E_RNA) where: Base-Base interactions energy: -817.680 where: short stacking energy: -330.039 Base-Backbone interact. energy: -3.818 local terms energy: -349.817283 where: bonds (distance) C4'-P energy: -65.727 bonds (distance) P-C4' energy: -67.487 flat angles C4'-P-C4' energy: -76.149 flat angles P-C4'-P energy: -50.394 tors. eta vs tors. theta energy: -90.060 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: 2, replica: 9 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -1128.438513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.438513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.438513 (E_RNA) where: Base-Base interactions energy: -784.262 where: short stacking energy: -335.162 Base-Backbone interact. energy: 0.035 local terms energy: -344.210670 where: bonds (distance) C4'-P energy: -59.749 bonds (distance) P-C4' energy: -63.743 flat angles C4'-P-C4' energy: -70.394 flat angles P-C4'-P energy: -44.703 tors. eta vs tors. theta energy: -105.620 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: 3, replica: 6 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -1074.262867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.262867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.262867 (E_RNA) where: Base-Base interactions energy: -720.151 where: short stacking energy: -317.289 Base-Backbone interact. energy: -2.137 local terms energy: -351.974376 where: bonds (distance) C4'-P energy: -60.258 bonds (distance) P-C4' energy: -72.262 flat angles C4'-P-C4' energy: -76.301 flat angles P-C4'-P energy: -51.303 tors. eta vs tors. theta energy: -91.851 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: 8 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -1012.241152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.241152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.241152 (E_RNA) where: Base-Base interactions energy: -701.306 where: short stacking energy: -305.593 Base-Backbone interact. energy: 1.242 local terms energy: -312.177463 where: bonds (distance) C4'-P energy: -49.601 bonds (distance) P-C4' energy: -60.524 flat angles C4'-P-C4' energy: -70.824 flat angles P-C4'-P energy: -51.210 tors. eta vs tors. theta energy: -80.019 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: 1 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -952.997707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.997707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.997707 (E_RNA) where: Base-Base interactions energy: -656.338 where: short stacking energy: -271.492 Base-Backbone interact. energy: -3.144 local terms energy: -293.516314 where: bonds (distance) C4'-P energy: -54.451 bonds (distance) P-C4' energy: -57.475 flat angles C4'-P-C4' energy: -65.721 flat angles P-C4'-P energy: -41.544 tors. eta vs tors. theta energy: -74.327 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: 5 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -772.147237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.147237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.147237 (E_RNA) where: Base-Base interactions energy: -487.991 where: short stacking energy: -215.709 Base-Backbone interact. energy: -1.691 local terms energy: -282.465735 where: bonds (distance) C4'-P energy: -66.929 bonds (distance) P-C4' energy: -59.681 flat angles C4'-P-C4' energy: -58.648 flat angles P-C4'-P energy: -51.037 tors. eta vs tors. theta energy: -46.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -631.090234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.090234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.090234 (E_RNA) where: Base-Base interactions energy: -403.416 where: short stacking energy: -199.598 Base-Backbone interact. energy: -0.128 local terms energy: -227.546159 where: bonds (distance) C4'-P energy: -60.173 bonds (distance) P-C4' energy: -54.176 flat angles C4'-P-C4' energy: -51.820 flat angles P-C4'-P energy: -29.700 tors. eta vs tors. theta energy: -31.677 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: 3 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -712.497251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.497251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.497251 (E_RNA) where: Base-Base interactions energy: -464.979 where: short stacking energy: -210.367 Base-Backbone interact. energy: -0.866 local terms energy: -246.652730 where: bonds (distance) C4'-P energy: -56.040 bonds (distance) P-C4' energy: -46.919 flat angles C4'-P-C4' energy: -62.990 flat angles P-C4'-P energy: -35.749 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: 9, replica: 2 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -439.652435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.652435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.652435 (E_RNA) where: Base-Base interactions energy: -241.500 where: short stacking energy: -120.206 Base-Backbone interact. energy: -1.129 local terms energy: -197.023051 where: bonds (distance) C4'-P energy: -52.765 bonds (distance) P-C4' energy: -51.236 flat angles C4'-P-C4' energy: -41.863 flat angles P-C4'-P energy: -36.376 tors. eta vs tors. theta energy: -14.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -418.456688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.456688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.456688 (E_RNA) where: Base-Base interactions energy: -235.324 where: short stacking energy: -115.603 Base-Backbone interact. energy: 0.055 local terms energy: -183.187249 where: bonds (distance) C4'-P energy: -52.967 bonds (distance) P-C4' energy: -61.285 flat angles C4'-P-C4' energy: -38.723 flat angles P-C4'-P energy: -21.492 tors. eta vs tors. theta energy: -8.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -1191.578023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.578023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.578023 (E_RNA) where: Base-Base interactions energy: -848.873 where: short stacking energy: -343.797 Base-Backbone interact. energy: -2.039 local terms energy: -340.665929 where: bonds (distance) C4'-P energy: -58.034 bonds (distance) P-C4' energy: -66.935 flat angles C4'-P-C4' energy: -75.735 flat angles P-C4'-P energy: -44.420 tors. eta vs tors. theta energy: -95.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -1128.952624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.952624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.952624 (E_RNA) where: Base-Base interactions energy: -771.900 where: short stacking energy: -334.405 Base-Backbone interact. energy: -2.166 local terms energy: -354.886452 where: bonds (distance) C4'-P energy: -63.553 bonds (distance) P-C4' energy: -65.888 flat angles C4'-P-C4' energy: -75.751 flat angles P-C4'-P energy: -49.056 tors. eta vs tors. theta energy: -100.638 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: 6 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -1063.261174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.261174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.261174 (E_RNA) where: Base-Base interactions energy: -724.152 where: short stacking energy: -328.391 Base-Backbone interact. energy: -0.958 local terms energy: -338.151683 where: bonds (distance) C4'-P energy: -57.677 bonds (distance) P-C4' energy: -62.651 flat angles C4'-P-C4' energy: -84.679 flat angles P-C4'-P energy: -37.666 tors. eta vs tors. theta energy: -95.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -981.713614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.713614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.713614 (E_RNA) where: Base-Base interactions energy: -676.040 where: short stacking energy: -269.493 Base-Backbone interact. energy: -3.028 local terms energy: -302.645738 where: bonds (distance) C4'-P energy: -62.422 bonds (distance) P-C4' energy: -60.288 flat angles C4'-P-C4' energy: -68.951 flat angles P-C4'-P energy: -41.136 tors. eta vs tors. theta energy: -69.849 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: 8 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -937.070369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.070369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.070369 (E_RNA) where: Base-Base interactions energy: -652.202 where: short stacking energy: -266.827 Base-Backbone interact. energy: -0.801 local terms energy: -284.067000 where: bonds (distance) C4'-P energy: -45.244 bonds (distance) P-C4' energy: -65.370 flat angles C4'-P-C4' energy: -65.523 flat angles P-C4'-P energy: -33.260 tors. eta vs tors. theta energy: -74.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -773.613397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.613397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.613397 (E_RNA) where: Base-Base interactions energy: -502.104 where: short stacking energy: -219.643 Base-Backbone interact. energy: -2.041 local terms energy: -269.468946 where: bonds (distance) C4'-P energy: -51.997 bonds (distance) P-C4' energy: -54.139 flat angles C4'-P-C4' energy: -60.868 flat angles P-C4'-P energy: -47.999 tors. eta vs tors. theta energy: -54.466 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: 7, replica: 7 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -625.694303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.694303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.694303 (E_RNA) where: Base-Base interactions energy: -401.336 where: short stacking energy: -166.241 Base-Backbone interact. energy: -1.004 local terms energy: -223.353361 where: bonds (distance) C4'-P energy: -56.216 bonds (distance) P-C4' energy: -49.306 flat angles C4'-P-C4' energy: -48.777 flat angles P-C4'-P energy: -39.713 tors. eta vs tors. theta energy: -29.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -740.811091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.811091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.811091 (E_RNA) where: Base-Base interactions energy: -475.697 where: short stacking energy: -227.442 Base-Backbone interact. energy: 0.641 local terms energy: -265.755055 where: bonds (distance) C4'-P energy: -44.353 bonds (distance) P-C4' energy: -61.551 flat angles C4'-P-C4' energy: -66.623 flat angles P-C4'-P energy: -40.713 tors. eta vs tors. theta energy: -52.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -458.453867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -458.453867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -458.453867 (E_RNA) where: Base-Base interactions energy: -223.393 where: short stacking energy: -131.764 Base-Backbone interact. energy: -1.488 local terms energy: -233.572583 where: bonds (distance) C4'-P energy: -54.138 bonds (distance) P-C4' energy: -56.239 flat angles C4'-P-C4' energy: -56.099 flat angles P-C4'-P energy: -41.199 tors. eta vs tors. theta energy: -25.897 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: 4 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -420.539679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.539679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.539679 (E_RNA) where: Base-Base interactions energy: -230.202 where: short stacking energy: -127.021 Base-Backbone interact. energy: 0.969 local terms energy: -191.306430 where: bonds (distance) C4'-P energy: -51.851 bonds (distance) P-C4' energy: -49.734 flat angles C4'-P-C4' energy: -47.683 flat angles P-C4'-P energy: -30.849 tors. eta vs tors. theta energy: -11.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -1197.247444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.247444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.247444 (E_RNA) where: Base-Base interactions energy: -843.898 where: short stacking energy: -342.036 Base-Backbone interact. energy: -1.847 local terms energy: -351.502495 where: bonds (distance) C4'-P energy: -71.183 bonds (distance) P-C4' energy: -70.284 flat angles C4'-P-C4' energy: -66.982 flat angles P-C4'-P energy: -47.502 tors. eta vs tors. theta energy: -95.552 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: 9 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -1147.654528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.654528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.654528 (E_RNA) where: Base-Base interactions energy: -790.538 where: short stacking energy: -340.770 Base-Backbone interact. energy: -1.290 local terms energy: -355.826496 where: bonds (distance) C4'-P energy: -64.317 bonds (distance) P-C4' energy: -67.395 flat angles C4'-P-C4' energy: -68.595 flat angles P-C4'-P energy: -51.137 tors. eta vs tors. theta energy: -104.383 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: 6 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -1074.523573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.523573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.523573 (E_RNA) where: Base-Base interactions energy: -720.052 where: short stacking energy: -330.308 Base-Backbone interact. energy: -0.981 local terms energy: -353.490453 where: bonds (distance) C4'-P energy: -65.057 bonds (distance) P-C4' energy: -73.029 flat angles C4'-P-C4' energy: -73.683 flat angles P-C4'-P energy: -40.474 tors. eta vs tors. theta energy: -101.247 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: 1 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -1009.744790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.744790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.744790 (E_RNA) where: Base-Base interactions energy: -700.123 where: short stacking energy: -291.017 Base-Backbone interact. energy: -1.396 local terms energy: -308.226612 where: bonds (distance) C4'-P energy: -53.078 bonds (distance) P-C4' energy: -57.150 flat angles C4'-P-C4' energy: -76.058 flat angles P-C4'-P energy: -40.564 tors. eta vs tors. theta energy: -81.377 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: 8 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -971.455327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.455327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.455327 (E_RNA) where: Base-Base interactions energy: -662.771 where: short stacking energy: -276.230 Base-Backbone interact. energy: -1.616 local terms energy: -307.067880 where: bonds (distance) C4'-P energy: -52.449 bonds (distance) P-C4' energy: -70.633 flat angles C4'-P-C4' energy: -65.426 flat angles P-C4'-P energy: -44.007 tors. eta vs tors. theta energy: -74.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -741.002657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.002657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.002657 (E_RNA) where: Base-Base interactions energy: -478.289 where: short stacking energy: -196.952 Base-Backbone interact. energy: -1.215 local terms energy: -261.498480 where: bonds (distance) C4'-P energy: -43.263 bonds (distance) P-C4' energy: -61.738 flat angles C4'-P-C4' energy: -65.612 flat angles P-C4'-P energy: -42.845 tors. eta vs tors. theta energy: -48.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -720.691324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.691324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.691324 (E_RNA) where: Base-Base interactions energy: -462.403 where: short stacking energy: -209.515 Base-Backbone interact. energy: 2.168 local terms energy: -260.456584 where: bonds (distance) C4'-P energy: -51.986 bonds (distance) P-C4' energy: -65.219 flat angles C4'-P-C4' energy: -59.739 flat angles P-C4'-P energy: -41.039 tors. eta vs tors. theta energy: -42.474 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: 7 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -621.660303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.660303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.660303 (E_RNA) where: Base-Base interactions energy: -392.074 where: short stacking energy: -174.149 Base-Backbone interact. energy: -1.429 local terms energy: -228.157110 where: bonds (distance) C4'-P energy: -60.444 bonds (distance) P-C4' energy: -57.202 flat angles C4'-P-C4' energy: -47.582 flat angles P-C4'-P energy: -36.195 tors. eta vs tors. theta energy: -26.734 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: 2 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -438.439330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.439330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.439330 (E_RNA) where: Base-Base interactions energy: -239.364 where: short stacking energy: -119.240 Base-Backbone interact. energy: -0.919 local terms energy: -198.156352 where: bonds (distance) C4'-P energy: -60.696 bonds (distance) P-C4' energy: -58.555 flat angles C4'-P-C4' energy: -37.190 flat angles P-C4'-P energy: -30.530 tors. eta vs tors. theta energy: -11.185 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: 4 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -398.406040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.406040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.406040 (E_RNA) where: Base-Base interactions energy: -225.800 where: short stacking energy: -121.103 Base-Backbone interact. energy: 3.284 local terms energy: -175.889789 where: bonds (distance) C4'-P energy: -43.716 bonds (distance) P-C4' energy: -50.903 flat angles C4'-P-C4' energy: -49.180 flat angles P-C4'-P energy: -23.112 tors. eta vs tors. theta energy: -8.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 223 Temperature: 0.900000 Total energy: -1187.923095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.923095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.923095 (E_RNA) where: Base-Base interactions energy: -822.597 where: short stacking energy: -343.157 Base-Backbone interact. energy: -2.854 local terms energy: -362.472188 where: bonds (distance) C4'-P energy: -66.631 bonds (distance) P-C4' energy: -74.617 flat angles C4'-P-C4' energy: -73.594 flat angles P-C4'-P energy: -46.815 tors. eta vs tors. theta energy: -100.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -1157.872617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.872617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.872617 (E_RNA) where: Base-Base interactions energy: -807.222 where: short stacking energy: -354.671 Base-Backbone interact. energy: -1.541 local terms energy: -349.109193 where: bonds (distance) C4'-P energy: -62.042 bonds (distance) P-C4' energy: -60.891 flat angles C4'-P-C4' energy: -76.303 flat angles P-C4'-P energy: -41.358 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: 3, replica: 6 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -1064.498694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.498694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.498694 (E_RNA) where: Base-Base interactions energy: -708.230 where: short stacking energy: -341.651 Base-Backbone interact. energy: -0.281 local terms energy: -355.988002 where: bonds (distance) C4'-P energy: -63.770 bonds (distance) P-C4' energy: -69.955 flat angles C4'-P-C4' energy: -72.119 flat angles P-C4'-P energy: -40.925 tors. eta vs tors. theta energy: -109.219 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: 4, replica: 1 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -997.860822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.860822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.860822 (E_RNA) where: Base-Base interactions energy: -682.241 where: short stacking energy: -284.799 Base-Backbone interact. energy: -3.639 local terms energy: -311.981090 where: bonds (distance) C4'-P energy: -62.811 bonds (distance) P-C4' energy: -55.046 flat angles C4'-P-C4' energy: -66.690 flat angles P-C4'-P energy: -40.667 tors. eta vs tors. theta energy: -86.767 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: 8 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -970.319743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.319743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.319743 (E_RNA) where: Base-Base interactions energy: -644.955 where: short stacking energy: -285.251 Base-Backbone interact. energy: -0.355 local terms energy: -325.009244 where: bonds (distance) C4'-P energy: -55.281 bonds (distance) P-C4' energy: -72.956 flat angles C4'-P-C4' energy: -68.737 flat angles P-C4'-P energy: -45.538 tors. eta vs tors. theta energy: -82.497 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: 5 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -726.294603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.294603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.294603 (E_RNA) where: Base-Base interactions energy: -464.999 where: short stacking energy: -210.332 Base-Backbone interact. energy: -4.897 local terms energy: -256.398639 where: bonds (distance) C4'-P energy: -53.875 bonds (distance) P-C4' energy: -61.505 flat angles C4'-P-C4' energy: -67.132 flat angles P-C4'-P energy: -37.195 tors. eta vs tors. theta energy: -36.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -721.207842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.207842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.207842 (E_RNA) where: Base-Base interactions energy: -460.859 where: short stacking energy: -218.453 Base-Backbone interact. energy: -2.594 local terms energy: -257.755127 where: bonds (distance) C4'-P energy: -58.510 bonds (distance) P-C4' energy: -57.871 flat angles C4'-P-C4' energy: -58.364 flat angles P-C4'-P energy: -34.664 tors. eta vs tors. theta energy: -48.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -465.066302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -465.066302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -465.066302 (E_RNA) where: Base-Base interactions energy: -252.286 where: short stacking energy: -152.495 Base-Backbone interact. energy: -0.957 local terms energy: -211.823306 where: bonds (distance) C4'-P energy: -49.364 bonds (distance) P-C4' energy: -51.989 flat angles C4'-P-C4' energy: -53.264 flat angles P-C4'-P energy: -32.453 tors. eta vs tors. theta energy: -24.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -533.148908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.148908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.148908 (E_RNA) where: Base-Base interactions energy: -311.087 where: short stacking energy: -146.498 Base-Backbone interact. energy: 1.209 local terms energy: -223.270907 where: bonds (distance) C4'-P energy: -64.141 bonds (distance) P-C4' energy: -53.451 flat angles C4'-P-C4' energy: -53.696 flat angles P-C4'-P energy: -29.807 tors. eta vs tors. theta energy: -22.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -411.059018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.059018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.059018 (E_RNA) where: Base-Base interactions energy: -222.716 where: short stacking energy: -103.541 Base-Backbone interact. energy: 1.691 local terms energy: -190.033896 where: bonds (distance) C4'-P energy: -69.491 bonds (distance) P-C4' energy: -50.115 flat angles C4'-P-C4' energy: -39.907 flat angles P-C4'-P energy: -30.363 tors. eta vs tors. theta energy: -0.158 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: 10 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -1186.557361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.557361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.557361 (E_RNA) where: Base-Base interactions energy: -835.171 where: short stacking energy: -341.662 Base-Backbone interact. energy: -1.393 local terms energy: -349.992914 where: bonds (distance) C4'-P energy: -68.816 bonds (distance) P-C4' energy: -66.470 flat angles C4'-P-C4' energy: -71.954 flat angles P-C4'-P energy: -40.215 tors. eta vs tors. theta energy: -102.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -1136.674079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.674079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.674079 (E_RNA) where: Base-Base interactions energy: -795.222 where: short stacking energy: -329.606 Base-Backbone interact. energy: -0.854 local terms energy: -340.598561 where: bonds (distance) C4'-P energy: -59.874 bonds (distance) P-C4' energy: -61.611 flat angles C4'-P-C4' energy: -70.491 flat angles P-C4'-P energy: -54.991 tors. eta vs tors. theta energy: -93.632 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: 6 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -1082.505565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.505565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.505565 (E_RNA) where: Base-Base interactions energy: -712.712 where: short stacking energy: -331.646 Base-Backbone interact. energy: -0.359 local terms energy: -369.433861 where: bonds (distance) C4'-P energy: -68.237 bonds (distance) P-C4' energy: -63.530 flat angles C4'-P-C4' energy: -78.450 flat angles P-C4'-P energy: -55.609 tors. eta vs tors. theta energy: -103.608 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: 1 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -977.179135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.179135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.179135 (E_RNA) where: Base-Base interactions energy: -664.067 where: short stacking energy: -277.390 Base-Backbone interact. energy: -2.822 local terms energy: -310.290569 where: bonds (distance) C4'-P energy: -60.090 bonds (distance) P-C4' energy: -62.253 flat angles C4'-P-C4' energy: -69.252 flat angles P-C4'-P energy: -39.052 tors. eta vs tors. theta energy: -79.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -965.307401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.307401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.307401 (E_RNA) where: Base-Base interactions energy: -658.955 where: short stacking energy: -283.622 Base-Backbone interact. energy: 0.327 local terms energy: -306.679066 where: bonds (distance) C4'-P energy: -54.653 bonds (distance) P-C4' energy: -55.737 flat angles C4'-P-C4' energy: -72.194 flat angles P-C4'-P energy: -42.029 tors. eta vs tors. theta energy: -82.067 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: 5 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -780.088373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.088373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.088373 (E_RNA) where: Base-Base interactions energy: -535.672 where: short stacking energy: -212.744 Base-Backbone interact. energy: -1.779 local terms energy: -242.638137 where: bonds (distance) C4'-P energy: -47.190 bonds (distance) P-C4' energy: -44.418 flat angles C4'-P-C4' energy: -71.598 flat angles P-C4'-P energy: -26.589 tors. eta vs tors. theta energy: -52.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -712.676815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.676815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.676815 (E_RNA) where: Base-Base interactions energy: -456.879 where: short stacking energy: -205.834 Base-Backbone interact. energy: -1.466 local terms energy: -254.332697 where: bonds (distance) C4'-P energy: -59.549 bonds (distance) P-C4' energy: -65.245 flat angles C4'-P-C4' energy: -55.466 flat angles P-C4'-P energy: -33.221 tors. eta vs tors. theta energy: -40.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -464.715526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.715526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.715526 (E_RNA) where: Base-Base interactions energy: -258.732 where: short stacking energy: -151.077 Base-Backbone interact. energy: -2.526 local terms energy: -203.457183 where: bonds (distance) C4'-P energy: -55.888 bonds (distance) P-C4' energy: -61.656 flat angles C4'-P-C4' energy: -40.521 flat angles P-C4'-P energy: -24.583 tors. eta vs tors. theta energy: -20.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -437.942314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.942314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.942314 (E_RNA) where: Base-Base interactions energy: -242.405 where: short stacking energy: -129.846 Base-Backbone interact. energy: -0.250 local terms energy: -195.287194 where: bonds (distance) C4'-P energy: -46.854 bonds (distance) P-C4' energy: -60.369 flat angles C4'-P-C4' energy: -57.922 flat angles P-C4'-P energy: -19.569 tors. eta vs tors. theta energy: -10.574 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: 10, replica: 7 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -523.122261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.122261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.122261 (E_RNA) where: Base-Base interactions energy: -311.924 where: short stacking energy: -145.641 Base-Backbone interact. energy: -2.787 local terms energy: -208.411331 where: bonds (distance) C4'-P energy: -63.043 bonds (distance) P-C4' energy: -57.354 flat angles C4'-P-C4' energy: -32.215 flat angles P-C4'-P energy: -33.944 tors. eta vs tors. theta energy: -21.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -1165.689352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.689352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.689352 (E_RNA) where: Base-Base interactions energy: -814.736 where: short stacking energy: -335.033 Base-Backbone interact. energy: 2.539 local terms energy: -353.492264 where: bonds (distance) C4'-P energy: -61.377 bonds (distance) P-C4' energy: -65.048 flat angles C4'-P-C4' energy: -79.004 flat angles P-C4'-P energy: -47.955 tors. eta vs tors. theta energy: -100.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -1138.783955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.783955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.783955 (E_RNA) where: Base-Base interactions energy: -787.839 where: short stacking energy: -334.879 Base-Backbone interact. energy: -1.794 local terms energy: -349.150552 where: bonds (distance) C4'-P energy: -61.516 bonds (distance) P-C4' energy: -66.621 flat angles C4'-P-C4' energy: -75.591 flat angles P-C4'-P energy: -50.225 tors. eta vs tors. theta energy: -95.198 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: 6 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -1077.431838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.431838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.431838 (E_RNA) where: Base-Base interactions energy: -729.734 where: short stacking energy: -339.178 Base-Backbone interact. energy: -0.695 local terms energy: -347.003147 where: bonds (distance) C4'-P energy: -58.852 bonds (distance) P-C4' energy: -58.866 flat angles C4'-P-C4' energy: -69.066 flat angles P-C4'-P energy: -49.925 tors. eta vs tors. theta energy: -110.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -973.724680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.724680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.724680 (E_RNA) where: Base-Base interactions energy: -656.033 where: short stacking energy: -278.125 Base-Backbone interact. energy: -1.415 local terms energy: -316.275919 where: bonds (distance) C4'-P energy: -61.717 bonds (distance) P-C4' energy: -67.735 flat angles C4'-P-C4' energy: -64.513 flat angles P-C4'-P energy: -51.339 tors. eta vs tors. theta energy: -70.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -960.536701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.536701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.536701 (E_RNA) where: Base-Base interactions energy: -672.089 where: short stacking energy: -280.272 Base-Backbone interact. energy: -1.908 local terms energy: -286.539629 where: bonds (distance) C4'-P energy: -56.076 bonds (distance) P-C4' energy: -52.342 flat angles C4'-P-C4' energy: -59.693 flat angles P-C4'-P energy: -37.900 tors. eta vs tors. theta energy: -80.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -800.395069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -800.395069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -800.395069 (E_RNA) where: Base-Base interactions energy: -514.192 where: short stacking energy: -237.303 Base-Backbone interact. energy: -2.928 local terms energy: -283.274576 where: bonds (distance) C4'-P energy: -54.088 bonds (distance) P-C4' energy: -62.356 flat angles C4'-P-C4' energy: -63.523 flat angles P-C4'-P energy: -41.974 tors. eta vs tors. theta energy: -61.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -728.918199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.918199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.918199 (E_RNA) where: Base-Base interactions energy: -481.576 where: short stacking energy: -231.712 Base-Backbone interact. energy: 5.517 local terms energy: -252.858640 where: bonds (distance) C4'-P energy: -56.818 bonds (distance) P-C4' energy: -47.475 flat angles C4'-P-C4' energy: -55.655 flat angles P-C4'-P energy: -39.412 tors. eta vs tors. theta energy: -53.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -470.062400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.062400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.062400 (E_RNA) where: Base-Base interactions energy: -257.550 where: short stacking energy: -145.434 Base-Backbone interact. energy: 4.804 local terms energy: -217.317202 where: bonds (distance) C4'-P energy: -47.414 bonds (distance) P-C4' energy: -61.966 flat angles C4'-P-C4' energy: -53.699 flat angles P-C4'-P energy: -33.274 tors. eta vs tors. theta energy: -20.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -539.652898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.652898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.652898 (E_RNA) where: Base-Base interactions energy: -308.999 where: short stacking energy: -161.206 Base-Backbone interact. energy: 4.572 local terms energy: -235.225678 where: bonds (distance) C4'-P energy: -56.330 bonds (distance) P-C4' energy: -64.705 flat angles C4'-P-C4' energy: -59.486 flat angles P-C4'-P energy: -32.061 tors. eta vs tors. theta energy: -22.643 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: 7 ===================================== Write number: 225 Temperature: 1.350000 Total energy: -518.446362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.446362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.446362 (E_RNA) where: Base-Base interactions energy: -305.158 where: short stacking energy: -144.855 Base-Backbone interact. energy: -1.783 local terms energy: -211.505760 where: bonds (distance) C4'-P energy: -45.793 bonds (distance) P-C4' energy: -54.911 flat angles C4'-P-C4' energy: -60.522 flat angles P-C4'-P energy: -27.069 tors. eta vs tors. theta energy: -23.210 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: 10 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -1174.114576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.114576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.114576 (E_RNA) where: Base-Base interactions energy: -825.360 where: short stacking energy: -316.058 Base-Backbone interact. energy: -2.523 local terms energy: -346.231594 where: bonds (distance) C4'-P energy: -66.631 bonds (distance) P-C4' energy: -69.205 flat angles C4'-P-C4' energy: -70.585 flat angles P-C4'-P energy: -43.732 tors. eta vs tors. theta energy: -96.079 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: 9 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -1135.329166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.329166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.329166 (E_RNA) where: Base-Base interactions energy: -766.410 where: short stacking energy: -338.684 Base-Backbone interact. energy: -4.353 local terms energy: -364.566453 where: bonds (distance) C4'-P energy: -58.455 bonds (distance) P-C4' energy: -73.733 flat angles C4'-P-C4' energy: -80.356 flat angles P-C4'-P energy: -50.082 tors. eta vs tors. theta energy: -101.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -1092.282486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1092.282486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1092.282486 (E_RNA) where: Base-Base interactions energy: -730.498 where: short stacking energy: -340.063 Base-Backbone interact. energy: -1.398 local terms energy: -360.386327 where: bonds (distance) C4'-P energy: -65.553 bonds (distance) P-C4' energy: -65.316 flat angles C4'-P-C4' energy: -80.798 flat angles P-C4'-P energy: -52.277 tors. eta vs tors. theta energy: -96.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -991.081149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.081149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.081149 (E_RNA) where: Base-Base interactions energy: -673.316 where: short stacking energy: -303.093 Base-Backbone interact. energy: -0.316 local terms energy: -317.449104 where: bonds (distance) C4'-P energy: -64.023 bonds (distance) P-C4' energy: -57.617 flat angles C4'-P-C4' energy: -69.188 flat angles P-C4'-P energy: -43.098 tors. eta vs tors. theta energy: -83.524 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: 5, replica: 1 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -943.409402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.409402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.409402 (E_RNA) where: Base-Base interactions energy: -647.900 where: short stacking energy: -257.724 Base-Backbone interact. energy: -2.438 local terms energy: -293.071308 where: bonds (distance) C4'-P energy: -53.786 bonds (distance) P-C4' energy: -61.618 flat angles C4'-P-C4' energy: -63.908 flat angles P-C4'-P energy: -41.341 tors. eta vs tors. theta energy: -72.417 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: 5 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -824.183385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.183385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.183385 (E_RNA) where: Base-Base interactions energy: -540.704 where: short stacking energy: -216.154 Base-Backbone interact. energy: -1.625 local terms energy: -281.854163 where: bonds (distance) C4'-P energy: -56.692 bonds (distance) P-C4' energy: -56.906 flat angles C4'-P-C4' energy: -60.690 flat angles P-C4'-P energy: -51.223 tors. eta vs tors. theta energy: -56.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -747.770850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.770850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.770850 (E_RNA) where: Base-Base interactions energy: -487.774 where: short stacking energy: -228.925 Base-Backbone interact. energy: 2.103 local terms energy: -262.100163 where: bonds (distance) C4'-P energy: -45.693 bonds (distance) P-C4' energy: -67.317 flat angles C4'-P-C4' energy: -67.014 flat angles P-C4'-P energy: -31.932 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: 8, replica: 2 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -511.826933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -511.826933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -511.826933 (E_RNA) where: Base-Base interactions energy: -278.887 where: short stacking energy: -149.889 Base-Backbone interact. energy: -3.059 local terms energy: -229.881062 where: bonds (distance) C4'-P energy: -54.063 bonds (distance) P-C4' energy: -59.141 flat angles C4'-P-C4' energy: -44.932 flat angles P-C4'-P energy: -42.119 tors. eta vs tors. theta energy: -29.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -538.719463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.719463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.719463 (E_RNA) where: Base-Base interactions energy: -330.469 where: short stacking energy: -152.837 Base-Backbone interact. energy: -2.209 local terms energy: -206.041346 where: bonds (distance) C4'-P energy: -57.279 bonds (distance) P-C4' energy: -57.900 flat angles C4'-P-C4' energy: -52.142 flat angles P-C4'-P energy: -27.323 tors. eta vs tors. theta energy: -11.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -416.266946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.266946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.266946 (E_RNA) where: Base-Base interactions energy: -222.198 where: short stacking energy: -112.165 Base-Backbone interact. energy: 1.422 local terms energy: -195.491150 where: bonds (distance) C4'-P energy: -58.697 bonds (distance) P-C4' energy: -55.028 flat angles C4'-P-C4' energy: -40.816 flat angles P-C4'-P energy: -32.561 tors. eta vs tors. theta energy: -8.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -1192.833484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.833484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.833484 (E_RNA) where: Base-Base interactions energy: -832.935 where: short stacking energy: -318.675 Base-Backbone interact. energy: -3.381 local terms energy: -356.517034 where: bonds (distance) C4'-P energy: -67.878 bonds (distance) P-C4' energy: -61.715 flat angles C4'-P-C4' energy: -77.480 flat angles P-C4'-P energy: -46.106 tors. eta vs tors. theta energy: -103.338 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: 9 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -1120.922967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.922967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.922967 (E_RNA) where: Base-Base interactions energy: -765.402 where: short stacking energy: -332.229 Base-Backbone interact. energy: -1.850 local terms energy: -353.671097 where: bonds (distance) C4'-P energy: -68.348 bonds (distance) P-C4' energy: -59.394 flat angles C4'-P-C4' energy: -79.900 flat angles P-C4'-P energy: -43.709 tors. eta vs tors. theta energy: -102.320 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: 6 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -1082.204406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.204406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.204406 (E_RNA) where: Base-Base interactions energy: -716.810 where: short stacking energy: -328.935 Base-Backbone interact. energy: -1.757 local terms energy: -363.637083 where: bonds (distance) C4'-P energy: -60.245 bonds (distance) P-C4' energy: -63.663 flat angles C4'-P-C4' energy: -74.446 flat angles P-C4'-P energy: -58.657 tors. eta vs tors. theta energy: -106.626 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: 1 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -968.091103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.091103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.091103 (E_RNA) where: Base-Base interactions energy: -665.337 where: short stacking energy: -284.829 Base-Backbone interact. energy: -0.881 local terms energy: -301.872432 where: bonds (distance) C4'-P energy: -61.059 bonds (distance) P-C4' energy: -54.737 flat angles C4'-P-C4' energy: -63.479 flat angles P-C4'-P energy: -49.336 tors. eta vs tors. theta energy: -73.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -952.256377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.256377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.256377 (E_RNA) where: Base-Base interactions energy: -664.373 where: short stacking energy: -287.666 Base-Backbone interact. energy: -1.188 local terms energy: -286.695159 where: bonds (distance) C4'-P energy: -41.704 bonds (distance) P-C4' energy: -61.577 flat angles C4'-P-C4' energy: -65.576 flat angles P-C4'-P energy: -39.114 tors. eta vs tors. theta energy: -78.724 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: 5 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -758.396817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.396817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.396817 (E_RNA) where: Base-Base interactions energy: -506.353 where: short stacking energy: -198.158 Base-Backbone interact. energy: -1.386 local terms energy: -250.656912 where: bonds (distance) C4'-P energy: -54.026 bonds (distance) P-C4' energy: -53.072 flat angles C4'-P-C4' energy: -70.893 flat angles P-C4'-P energy: -31.703 tors. eta vs tors. theta energy: -40.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -688.750677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.750677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.750677 (E_RNA) where: Base-Base interactions energy: -442.756 where: short stacking energy: -213.981 Base-Backbone interact. energy: -1.870 local terms energy: -244.124742 where: bonds (distance) C4'-P energy: -50.183 bonds (distance) P-C4' energy: -66.402 flat angles C4'-P-C4' energy: -50.570 flat angles P-C4'-P energy: -22.948 tors. eta vs tors. theta energy: -54.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -575.148752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.148752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.148752 (E_RNA) where: Base-Base interactions energy: -351.795 where: short stacking energy: -155.627 Base-Backbone interact. energy: 1.785 local terms energy: -225.138495 where: bonds (distance) C4'-P energy: -56.746 bonds (distance) P-C4' energy: -54.985 flat angles C4'-P-C4' energy: -54.428 flat angles P-C4'-P energy: -41.175 tors. eta vs tors. theta energy: -17.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -450.174517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.174517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.174517 (E_RNA) where: Base-Base interactions energy: -262.075 where: short stacking energy: -131.730 Base-Backbone interact. energy: 0.262 local terms energy: -188.362132 where: bonds (distance) C4'-P energy: -38.192 bonds (distance) P-C4' energy: -57.714 flat angles C4'-P-C4' energy: -48.851 flat angles P-C4'-P energy: -31.081 tors. eta vs tors. theta energy: -12.524 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: 4 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -422.968491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.968491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.968491 (E_RNA) where: Base-Base interactions energy: -237.352 where: short stacking energy: -121.914 Base-Backbone interact. energy: -1.778 local terms energy: -183.838924 where: bonds (distance) C4'-P energy: -46.302 bonds (distance) P-C4' energy: -45.491 flat angles C4'-P-C4' energy: -53.807 flat angles P-C4'-P energy: -24.995 tors. eta vs tors. theta energy: -13.243 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: 10 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -1177.405042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.405042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.405042 (E_RNA) where: Base-Base interactions energy: -821.094 where: short stacking energy: -331.439 Base-Backbone interact. energy: 3.166 local terms energy: -359.477060 where: bonds (distance) C4'-P energy: -62.333 bonds (distance) P-C4' energy: -72.808 flat angles C4'-P-C4' energy: -78.993 flat angles P-C4'-P energy: -45.510 tors. eta vs tors. theta energy: -99.833 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: 9 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -1126.887517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.887517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.887517 (E_RNA) where: Base-Base interactions energy: -778.669 where: short stacking energy: -322.942 Base-Backbone interact. energy: -3.177 local terms energy: -345.041065 where: bonds (distance) C4'-P energy: -54.211 bonds (distance) P-C4' energy: -70.158 flat angles C4'-P-C4' energy: -71.045 flat angles P-C4'-P energy: -44.641 tors. eta vs tors. theta energy: -104.986 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: 6 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -1079.768228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.768228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.768228 (E_RNA) where: Base-Base interactions energy: -721.003 where: short stacking energy: -333.424 Base-Backbone interact. energy: -1.453 local terms energy: -357.311942 where: bonds (distance) C4'-P energy: -54.211 bonds (distance) P-C4' energy: -67.286 flat angles C4'-P-C4' energy: -78.502 flat angles P-C4'-P energy: -52.885 tors. eta vs tors. theta energy: -104.428 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: 1 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -981.991483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -981.991483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -981.991483 (E_RNA) where: Base-Base interactions energy: -677.065 where: short stacking energy: -271.231 Base-Backbone interact. energy: -3.494 local terms energy: -301.432481 where: bonds (distance) C4'-P energy: -51.273 bonds (distance) P-C4' energy: -64.292 flat angles C4'-P-C4' energy: -70.160 flat angles P-C4'-P energy: -43.559 tors. eta vs tors. theta energy: -72.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -948.479763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.479763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.479763 (E_RNA) where: Base-Base interactions energy: -647.974 where: short stacking energy: -280.851 Base-Backbone interact. energy: -0.070 local terms energy: -300.436203 where: bonds (distance) C4'-P energy: -58.477 bonds (distance) P-C4' energy: -50.667 flat angles C4'-P-C4' energy: -74.670 flat angles P-C4'-P energy: -39.703 tors. eta vs tors. theta energy: -76.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -776.078763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.078763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.078763 (E_RNA) where: Base-Base interactions energy: -512.724 where: short stacking energy: -227.541 Base-Backbone interact. energy: -1.901 local terms energy: -261.453394 where: bonds (distance) C4'-P energy: -58.441 bonds (distance) P-C4' energy: -51.202 flat angles C4'-P-C4' energy: -49.208 flat angles P-C4'-P energy: -43.166 tors. eta vs tors. theta energy: -59.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -711.978999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.978999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.978999 (E_RNA) where: Base-Base interactions energy: -467.741 where: short stacking energy: -223.421 Base-Backbone interact. energy: -0.377 local terms energy: -243.861424 where: bonds (distance) C4'-P energy: -45.869 bonds (distance) P-C4' energy: -64.145 flat angles C4'-P-C4' energy: -49.678 flat angles P-C4'-P energy: -33.522 tors. eta vs tors. theta energy: -50.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -572.233007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.233007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.233007 (E_RNA) where: Base-Base interactions energy: -343.571 where: short stacking energy: -165.104 Base-Backbone interact. energy: -0.747 local terms energy: -227.914771 where: bonds (distance) C4'-P energy: -62.975 bonds (distance) P-C4' energy: -54.252 flat angles C4'-P-C4' energy: -57.918 flat angles P-C4'-P energy: -30.008 tors. eta vs tors. theta energy: -22.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -485.366526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -485.366526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -485.366526 (E_RNA) where: Base-Base interactions energy: -262.034 where: short stacking energy: -145.420 Base-Backbone interact. energy: 3.351 local terms energy: -226.683582 where: bonds (distance) C4'-P energy: -62.695 bonds (distance) P-C4' energy: -48.828 flat angles C4'-P-C4' energy: -56.789 flat angles P-C4'-P energy: -34.839 tors. eta vs tors. theta energy: -23.534 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: 4 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -432.843438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.843438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.843438 (E_RNA) where: Base-Base interactions energy: -234.170 where: short stacking energy: -127.296 Base-Backbone interact. energy: 0.369 local terms energy: -199.042602 where: bonds (distance) C4'-P energy: -47.692 bonds (distance) P-C4' energy: -55.034 flat angles C4'-P-C4' energy: -51.051 flat angles P-C4'-P energy: -34.701 tors. eta vs tors. theta energy: -10.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -1177.840725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.840725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.840725 (E_RNA) where: Base-Base interactions energy: -819.719 where: short stacking energy: -332.772 Base-Backbone interact. energy: -0.189 local terms energy: -357.933061 where: bonds (distance) C4'-P energy: -67.459 bonds (distance) P-C4' energy: -67.774 flat angles C4'-P-C4' energy: -71.112 flat angles P-C4'-P energy: -52.803 tors. eta vs tors. theta energy: -98.785 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: 9 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -1127.021927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.021927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.021927 (E_RNA) where: Base-Base interactions energy: -767.912 where: short stacking energy: -327.725 Base-Backbone interact. energy: -2.549 local terms energy: -356.561467 where: bonds (distance) C4'-P energy: -64.829 bonds (distance) P-C4' energy: -71.130 flat angles C4'-P-C4' energy: -74.936 flat angles P-C4'-P energy: -46.642 tors. eta vs tors. theta energy: -99.024 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: 6 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -1078.634891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.634891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.634891 (E_RNA) where: Base-Base interactions energy: -741.920 where: short stacking energy: -350.368 Base-Backbone interact. energy: -1.828 local terms energy: -334.887009 where: bonds (distance) C4'-P energy: -65.813 bonds (distance) P-C4' energy: -53.345 flat angles C4'-P-C4' energy: -75.965 flat angles P-C4'-P energy: -41.843 tors. eta vs tors. theta energy: -97.921 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: 8 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -1013.390844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.390844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.390844 (E_RNA) where: Base-Base interactions energy: -701.294 where: short stacking energy: -307.432 Base-Backbone interact. energy: -3.078 local terms energy: -309.018366 where: bonds (distance) C4'-P energy: -54.604 bonds (distance) P-C4' energy: -56.284 flat angles C4'-P-C4' energy: -72.556 flat angles P-C4'-P energy: -43.538 tors. eta vs tors. theta energy: -82.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -929.781098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.781098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.781098 (E_RNA) where: Base-Base interactions energy: -632.406 where: short stacking energy: -250.862 Base-Backbone interact. energy: -1.936 local terms energy: -295.438654 where: bonds (distance) C4'-P energy: -66.071 bonds (distance) P-C4' energy: -65.693 flat angles C4'-P-C4' energy: -65.484 flat angles P-C4'-P energy: -43.649 tors. eta vs tors. theta energy: -54.541 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: 3 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -806.510372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.510372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.510372 (E_RNA) where: Base-Base interactions energy: -526.010 where: short stacking energy: -241.526 Base-Backbone interact. energy: -1.118 local terms energy: -279.382229 where: bonds (distance) C4'-P energy: -59.728 bonds (distance) P-C4' energy: -68.115 flat angles C4'-P-C4' energy: -58.860 flat angles P-C4'-P energy: -30.603 tors. eta vs tors. theta energy: -62.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -774.665313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.665313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.665313 (E_RNA) where: Base-Base interactions energy: -498.289 where: short stacking energy: -207.175 Base-Backbone interact. energy: -2.946 local terms energy: -273.429876 where: bonds (distance) C4'-P energy: -62.038 bonds (distance) P-C4' energy: -61.462 flat angles C4'-P-C4' energy: -62.941 flat angles P-C4'-P energy: -37.777 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: 8, replica: 7 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -585.423866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.423866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.423866 (E_RNA) where: Base-Base interactions energy: -348.525 where: short stacking energy: -174.895 Base-Backbone interact. energy: -0.512 local terms energy: -236.386446 where: bonds (distance) C4'-P energy: -65.695 bonds (distance) P-C4' energy: -55.856 flat angles C4'-P-C4' energy: -52.952 flat angles P-C4'-P energy: -24.567 tors. eta vs tors. theta energy: -37.317 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: 2 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -470.449212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -470.449212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -470.449212 (E_RNA) where: Base-Base interactions energy: -271.118 where: short stacking energy: -113.074 Base-Backbone interact. energy: -0.647 local terms energy: -198.684961 where: bonds (distance) C4'-P energy: -58.526 bonds (distance) P-C4' energy: -50.272 flat angles C4'-P-C4' energy: -51.089 flat angles P-C4'-P energy: -25.862 tors. eta vs tors. theta energy: -12.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -395.511625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -395.511625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -395.511625 (E_RNA) where: Base-Base interactions energy: -199.649 where: short stacking energy: -93.492 Base-Backbone interact. energy: -0.028 local terms energy: -195.835101 where: bonds (distance) C4'-P energy: -44.396 bonds (distance) P-C4' energy: -62.521 flat angles C4'-P-C4' energy: -52.718 flat angles P-C4'-P energy: -28.599 tors. eta vs tors. theta energy: -7.600 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: 230 Temperature: 0.900000 Total energy: -1152.400568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.400568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.400568 (E_RNA) where: Base-Base interactions energy: -799.255 where: short stacking energy: -327.753 Base-Backbone interact. energy: -0.460 local terms energy: -352.685488 where: bonds (distance) C4'-P energy: -61.479 bonds (distance) P-C4' energy: -62.458 flat angles C4'-P-C4' energy: -70.044 flat angles P-C4'-P energy: -56.386 tors. eta vs tors. theta energy: -102.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -1147.186804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.186804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.186804 (E_RNA) where: Base-Base interactions energy: -806.277 where: short stacking energy: -311.002 Base-Backbone interact. energy: -2.408 local terms energy: -338.502046 where: bonds (distance) C4'-P energy: -75.858 bonds (distance) P-C4' energy: -57.725 flat angles C4'-P-C4' energy: -70.920 flat angles P-C4'-P energy: -43.412 tors. eta vs tors. theta energy: -90.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -1075.607520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.607520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.607520 (E_RNA) where: Base-Base interactions energy: -718.075 where: short stacking energy: -341.103 Base-Backbone interact. energy: -0.077 local terms energy: -357.455197 where: bonds (distance) C4'-P energy: -56.070 bonds (distance) P-C4' energy: -65.827 flat angles C4'-P-C4' energy: -69.560 flat angles P-C4'-P energy: -58.140 tors. eta vs tors. theta energy: -107.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -993.590929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.590929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.590929 (E_RNA) where: Base-Base interactions energy: -679.355 where: short stacking energy: -292.778 Base-Backbone interact. energy: -1.232 local terms energy: -313.003655 where: bonds (distance) C4'-P energy: -53.568 bonds (distance) P-C4' energy: -58.624 flat angles C4'-P-C4' energy: -64.739 flat angles P-C4'-P energy: -51.367 tors. eta vs tors. theta energy: -84.706 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: 1 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -914.673626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.673626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.673626 (E_RNA) where: Base-Base interactions energy: -626.665 where: short stacking energy: -240.340 Base-Backbone interact. energy: 2.419 local terms energy: -290.427828 where: bonds (distance) C4'-P energy: -52.574 bonds (distance) P-C4' energy: -58.834 flat angles C4'-P-C4' energy: -61.451 flat angles P-C4'-P energy: -50.962 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: 6, replica: 3 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -824.011296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.011296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.011296 (E_RNA) where: Base-Base interactions energy: -532.075 where: short stacking energy: -237.549 Base-Backbone interact. energy: -1.368 local terms energy: -290.568462 where: bonds (distance) C4'-P energy: -56.320 bonds (distance) P-C4' energy: -67.973 flat angles C4'-P-C4' energy: -59.558 flat angles P-C4'-P energy: -46.748 tors. eta vs tors. theta energy: -59.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -749.077221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.077221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.077221 (E_RNA) where: Base-Base interactions energy: -499.685 where: short stacking energy: -202.104 Base-Backbone interact. energy: -2.840 local terms energy: -246.552239 where: bonds (distance) C4'-P energy: -61.226 bonds (distance) P-C4' energy: -51.759 flat angles C4'-P-C4' energy: -58.955 flat angles P-C4'-P energy: -31.675 tors. eta vs tors. theta energy: -42.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -595.088364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.088364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.088364 (E_RNA) where: Base-Base interactions energy: -348.786 where: short stacking energy: -162.670 Base-Backbone interact. energy: -2.580 local terms energy: -243.722509 where: bonds (distance) C4'-P energy: -58.695 bonds (distance) P-C4' energy: -59.112 flat angles C4'-P-C4' energy: -62.915 flat angles P-C4'-P energy: -34.566 tors. eta vs tors. theta energy: -28.435 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: 230 Temperature: 1.300000 Total energy: -481.033188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.033188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.033188 (E_RNA) where: Base-Base interactions energy: -298.183 where: short stacking energy: -149.222 Base-Backbone interact. energy: 3.914 local terms energy: -186.763888 where: bonds (distance) C4'-P energy: -47.516 bonds (distance) P-C4' energy: -56.756 flat angles C4'-P-C4' energy: -50.007 flat angles P-C4'-P energy: -17.876 tors. eta vs tors. theta energy: -14.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 230 Temperature: 1.350000 Total energy: -411.851999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.851999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.851999 (E_RNA) where: Base-Base interactions energy: -230.881 where: short stacking energy: -113.222 Base-Backbone interact. energy: 0.127 local terms energy: -181.097965 where: bonds (distance) C4'-P energy: -42.027 bonds (distance) P-C4' energy: -49.421 flat angles C4'-P-C4' energy: -51.451 flat angles P-C4'-P energy: -25.571 tors. eta vs tors. theta energy: -12.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -1149.016454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.016454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.016454 (E_RNA) where: Base-Base interactions energy: -788.253 where: short stacking energy: -324.887 Base-Backbone interact. energy: -4.419 local terms energy: -356.344851 where: bonds (distance) C4'-P energy: -66.700 bonds (distance) P-C4' energy: -62.578 flat angles C4'-P-C4' energy: -73.131 flat angles P-C4'-P energy: -54.620 tors. eta vs tors. theta energy: -99.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -1149.716164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.716164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.716164 (E_RNA) where: Base-Base interactions energy: -801.410 where: short stacking energy: -318.304 Base-Backbone interact. energy: -2.887 local terms energy: -345.419657 where: bonds (distance) C4'-P energy: -57.916 bonds (distance) P-C4' energy: -74.779 flat angles C4'-P-C4' energy: -71.319 flat angles P-C4'-P energy: -48.482 tors. eta vs tors. theta energy: -92.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -1081.793390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.793390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.793390 (E_RNA) where: Base-Base interactions energy: -743.727 where: short stacking energy: -343.606 Base-Backbone interact. energy: 5.178 local terms energy: -343.243885 where: bonds (distance) C4'-P energy: -55.090 bonds (distance) P-C4' energy: -65.849 flat angles C4'-P-C4' energy: -66.285 flat angles P-C4'-P energy: -48.053 tors. eta vs tors. theta energy: -107.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -977.074719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.074719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.074719 (E_RNA) where: Base-Base interactions energy: -673.521 where: short stacking energy: -277.202 Base-Backbone interact. energy: -0.807 local terms energy: -302.746977 where: bonds (distance) C4'-P energy: -49.166 bonds (distance) P-C4' energy: -75.617 flat angles C4'-P-C4' energy: -59.490 flat angles P-C4'-P energy: -37.167 tors. eta vs tors. theta energy: -81.307 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: 1 ===================================== Write number: 231 Temperature: 1.100000 Total energy: -922.207342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -922.207342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -922.207342 (E_RNA) where: Base-Base interactions energy: -641.878 where: short stacking energy: -241.287 Base-Backbone interact. energy: -2.045 local terms energy: -278.283624 where: bonds (distance) C4'-P energy: -55.055 bonds (distance) P-C4' energy: -61.856 flat angles C4'-P-C4' energy: -65.492 flat angles P-C4'-P energy: -39.581 tors. eta vs tors. theta energy: -56.300 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: 3 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -814.485649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.485649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.485649 (E_RNA) where: Base-Base interactions energy: -537.196 where: short stacking energy: -232.912 Base-Backbone interact. energy: 1.001 local terms energy: -278.290290 where: bonds (distance) C4'-P energy: -51.719 bonds (distance) P-C4' energy: -52.525 flat angles C4'-P-C4' energy: -67.758 flat angles P-C4'-P energy: -43.561 tors. eta vs tors. theta energy: -62.728 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: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -718.112041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.112041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.112041 (E_RNA) where: Base-Base interactions energy: -459.634 where: short stacking energy: -199.218 Base-Backbone interact. energy: -1.538 local terms energy: -256.940361 where: bonds (distance) C4'-P energy: -43.606 bonds (distance) P-C4' energy: -72.933 flat angles C4'-P-C4' energy: -62.130 flat angles P-C4'-P energy: -44.206 tors. eta vs tors. theta energy: -34.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -587.299601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.299601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.299601 (E_RNA) where: Base-Base interactions energy: -346.299 where: short stacking energy: -183.044 Base-Backbone interact. energy: -2.035 local terms energy: -238.966382 where: bonds (distance) C4'-P energy: -60.239 bonds (distance) P-C4' energy: -48.271 flat angles C4'-P-C4' energy: -52.264 flat angles P-C4'-P energy: -37.887 tors. eta vs tors. theta energy: -40.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -496.135431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -496.135431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -496.135431 (E_RNA) where: Base-Base interactions energy: -285.772 where: short stacking energy: -139.287 Base-Backbone interact. energy: 1.471 local terms energy: -211.834366 where: bonds (distance) C4'-P energy: -51.887 bonds (distance) P-C4' energy: -57.196 flat angles C4'-P-C4' energy: -46.424 flat angles P-C4'-P energy: -36.589 tors. eta vs tors. theta energy: -19.738 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: 4 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -423.939672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.939672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.939672 (E_RNA) where: Base-Base interactions energy: -228.067 where: short stacking energy: -119.747 Base-Backbone interact. energy: 1.679 local terms energy: -197.552057 where: bonds (distance) C4'-P energy: -44.483 bonds (distance) P-C4' energy: -54.038 flat angles C4'-P-C4' energy: -54.754 flat angles P-C4'-P energy: -34.217 tors. eta vs tors. theta energy: -10.060 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: 1, replica: 10 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -1183.946201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.946201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.946201 (E_RNA) where: Base-Base interactions energy: -836.098 where: short stacking energy: -320.653 Base-Backbone interact. energy: -1.296 local terms energy: -346.551562 where: bonds (distance) C4'-P energy: -68.002 bonds (distance) P-C4' energy: -65.331 flat angles C4'-P-C4' energy: -67.038 flat angles P-C4'-P energy: -44.795 tors. eta vs tors. theta energy: -101.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -1133.312779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.312779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.312779 (E_RNA) where: Base-Base interactions energy: -792.066 where: short stacking energy: -300.811 Base-Backbone interact. energy: -2.935 local terms energy: -338.311394 where: bonds (distance) C4'-P energy: -73.105 bonds (distance) P-C4' energy: -56.119 flat angles C4'-P-C4' energy: -76.211 flat angles P-C4'-P energy: -47.855 tors. eta vs tors. theta energy: -85.021 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: 6 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -1060.177045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.177045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.177045 (E_RNA) where: Base-Base interactions energy: -696.215 where: short stacking energy: -321.388 Base-Backbone interact. energy: -0.490 local terms energy: -363.472020 where: bonds (distance) C4'-P energy: -68.659 bonds (distance) P-C4' energy: -65.459 flat angles C4'-P-C4' energy: -70.051 flat angles P-C4'-P energy: -52.767 tors. eta vs tors. theta energy: -106.536 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: 8 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -993.485886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.485886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.485886 (E_RNA) where: Base-Base interactions energy: -680.168 where: short stacking energy: -285.145 Base-Backbone interact. energy: -0.369 local terms energy: -312.948737 where: bonds (distance) C4'-P energy: -60.013 bonds (distance) P-C4' energy: -60.455 flat angles C4'-P-C4' energy: -69.004 flat angles P-C4'-P energy: -40.135 tors. eta vs tors. theta energy: -83.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -871.780168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.780168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.780168 (E_RNA) where: Base-Base interactions energy: -604.189 where: short stacking energy: -236.570 Base-Backbone interact. energy: -3.062 local terms energy: -264.528924 where: bonds (distance) C4'-P energy: -60.883 bonds (distance) P-C4' energy: -58.021 flat angles C4'-P-C4' energy: -53.043 flat angles P-C4'-P energy: -37.386 tors. eta vs tors. theta energy: -55.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -813.862084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.862084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.862084 (E_RNA) where: Base-Base interactions energy: -544.576 where: short stacking energy: -238.937 Base-Backbone interact. energy: -0.128 local terms energy: -269.157250 where: bonds (distance) C4'-P energy: -59.747 bonds (distance) P-C4' energy: -59.592 flat angles C4'-P-C4' energy: -53.676 flat angles P-C4'-P energy: -35.254 tors. eta vs tors. theta energy: -60.889 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: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -711.925094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.925094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.925094 (E_RNA) where: Base-Base interactions energy: -454.377 where: short stacking energy: -203.805 Base-Backbone interact. energy: -1.510 local terms energy: -256.037331 where: bonds (distance) C4'-P energy: -55.784 bonds (distance) P-C4' energy: -51.416 flat angles C4'-P-C4' energy: -67.943 flat angles P-C4'-P energy: -41.844 tors. eta vs tors. theta energy: -39.051 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: 7 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -613.557458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.557458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.557458 (E_RNA) where: Base-Base interactions energy: -358.669 where: short stacking energy: -176.139 Base-Backbone interact. energy: -0.315 local terms energy: -254.573023 where: bonds (distance) C4'-P energy: -60.464 bonds (distance) P-C4' energy: -59.094 flat angles C4'-P-C4' energy: -51.291 flat angles P-C4'-P energy: -39.987 tors. eta vs tors. theta energy: -43.737 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -499.143804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -499.143804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -499.143804 (E_RNA) where: Base-Base interactions energy: -283.996 where: short stacking energy: -136.761 Base-Backbone interact. energy: 4.553 local terms energy: -219.700153 where: bonds (distance) C4'-P energy: -49.702 bonds (distance) P-C4' energy: -60.898 flat angles C4'-P-C4' energy: -55.078 flat angles P-C4'-P energy: -33.949 tors. eta vs tors. theta energy: -20.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -451.706439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -451.706439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -451.706439 (E_RNA) where: Base-Base interactions energy: -258.649 where: short stacking energy: -120.136 Base-Backbone interact. energy: 0.639 local terms energy: -193.696855 where: bonds (distance) C4'-P energy: -37.004 bonds (distance) P-C4' energy: -59.160 flat angles C4'-P-C4' energy: -54.743 flat angles P-C4'-P energy: -26.206 tors. eta vs tors. theta energy: -16.583 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: 1, replica: 10 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -1193.346238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.346238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.346238 (E_RNA) where: Base-Base interactions energy: -856.611 where: short stacking energy: -332.828 Base-Backbone interact. energy: -3.336 local terms energy: -333.400117 where: bonds (distance) C4'-P energy: -66.861 bonds (distance) P-C4' energy: -57.991 flat angles C4'-P-C4' energy: -73.030 flat angles P-C4'-P energy: -41.505 tors. eta vs tors. theta energy: -94.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -1136.751496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.751496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.751496 (E_RNA) where: Base-Base interactions energy: -791.400 where: short stacking energy: -314.991 Base-Backbone interact. energy: -3.993 local terms energy: -341.358837 where: bonds (distance) C4'-P energy: -58.740 bonds (distance) P-C4' energy: -67.222 flat angles C4'-P-C4' energy: -73.956 flat angles P-C4'-P energy: -44.569 tors. eta vs tors. theta energy: -96.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -1049.750404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.750404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.750404 (E_RNA) where: Base-Base interactions energy: -702.004 where: short stacking energy: -300.339 Base-Backbone interact. energy: 1.294 local terms energy: -349.039990 where: bonds (distance) C4'-P energy: -57.113 bonds (distance) P-C4' energy: -54.246 flat angles C4'-P-C4' energy: -76.751 flat angles P-C4'-P energy: -53.768 tors. eta vs tors. theta energy: -107.162 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: 8 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -1006.725818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.725818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.725818 (E_RNA) where: Base-Base interactions energy: -679.471 where: short stacking energy: -299.402 Base-Backbone interact. energy: -0.801 local terms energy: -326.454464 where: bonds (distance) C4'-P energy: -64.839 bonds (distance) P-C4' energy: -65.037 flat angles C4'-P-C4' energy: -70.016 flat angles P-C4'-P energy: -42.910 tors. eta vs tors. theta energy: -83.653 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: 1 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -872.873842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.873842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.873842 (E_RNA) where: Base-Base interactions energy: -576.809 where: short stacking energy: -244.593 Base-Backbone interact. energy: -1.734 local terms energy: -294.330960 where: bonds (distance) C4'-P energy: -56.839 bonds (distance) P-C4' energy: -63.569 flat angles C4'-P-C4' energy: -67.429 flat angles P-C4'-P energy: -46.925 tors. eta vs tors. theta energy: -59.568 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: 3 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -885.375207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.375207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.375207 (E_RNA) where: Base-Base interactions energy: -592.738 where: short stacking energy: -254.434 Base-Backbone interact. energy: -0.871 local terms energy: -291.766074 where: bonds (distance) C4'-P energy: -52.711 bonds (distance) P-C4' energy: -64.175 flat angles C4'-P-C4' energy: -57.218 flat angles P-C4'-P energy: -44.254 tors. eta vs tors. theta energy: -73.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -748.425389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.425389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.425389 (E_RNA) where: Base-Base interactions energy: -488.959 where: short stacking energy: -217.347 Base-Backbone interact. energy: -0.741 local terms energy: -258.725188 where: bonds (distance) C4'-P energy: -46.898 bonds (distance) P-C4' energy: -59.766 flat angles C4'-P-C4' energy: -55.634 flat angles P-C4'-P energy: -37.978 tors. eta vs tors. theta energy: -58.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -575.001799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.001799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.001799 (E_RNA) where: Base-Base interactions energy: -335.361 where: short stacking energy: -172.798 Base-Backbone interact. energy: 6.216 local terms energy: -245.857188 where: bonds (distance) C4'-P energy: -48.276 bonds (distance) P-C4' energy: -62.609 flat angles C4'-P-C4' energy: -59.062 flat angles P-C4'-P energy: -38.933 tors. eta vs tors. theta energy: -36.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -432.216809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -432.216809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -432.216809 (E_RNA) where: Base-Base interactions energy: -221.733 where: short stacking energy: -108.573 Base-Backbone interact. energy: -1.389 local terms energy: -209.095131 where: bonds (distance) C4'-P energy: -63.278 bonds (distance) P-C4' energy: -60.821 flat angles C4'-P-C4' energy: -40.024 flat angles P-C4'-P energy: -37.479 tors. eta vs tors. theta energy: -7.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -401.145711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.145711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.145711 (E_RNA) where: Base-Base interactions energy: -221.424 where: short stacking energy: -126.088 Base-Backbone interact. energy: 2.600 local terms energy: -182.321763 where: bonds (distance) C4'-P energy: -55.556 bonds (distance) P-C4' energy: -52.632 flat angles C4'-P-C4' energy: -51.931 flat angles P-C4'-P energy: -20.317 tors. eta vs tors. theta energy: -1.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -1186.795016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.795016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.795016 (E_RNA) where: Base-Base interactions energy: -831.993 where: short stacking energy: -331.073 Base-Backbone interact. energy: -1.385 local terms energy: -353.416778 where: bonds (distance) C4'-P energy: -68.007 bonds (distance) P-C4' energy: -63.839 flat angles C4'-P-C4' energy: -75.804 flat angles P-C4'-P energy: -51.506 tors. eta vs tors. theta energy: -94.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -1160.255618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.255618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.255618 (E_RNA) where: Base-Base interactions energy: -821.428 where: short stacking energy: -338.758 Base-Backbone interact. energy: -1.414 local terms energy: -337.413033 where: bonds (distance) C4'-P energy: -53.448 bonds (distance) P-C4' energy: -65.758 flat angles C4'-P-C4' energy: -75.173 flat angles P-C4'-P energy: -47.367 tors. eta vs tors. theta energy: -95.667 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: 6 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -1061.435814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.435814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.435814 (E_RNA) where: Base-Base interactions energy: -704.866 where: short stacking energy: -337.145 Base-Backbone interact. energy: -0.806 local terms energy: -355.763750 where: bonds (distance) C4'-P energy: -64.542 bonds (distance) P-C4' energy: -60.878 flat angles C4'-P-C4' energy: -74.821 flat angles P-C4'-P energy: -51.730 tors. eta vs tors. theta energy: -103.793 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: 8 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -1015.770978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.770978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.770978 (E_RNA) where: Base-Base interactions energy: -698.131 where: short stacking energy: -318.303 Base-Backbone interact. energy: -1.762 local terms energy: -315.878491 where: bonds (distance) C4'-P energy: -54.506 bonds (distance) P-C4' energy: -57.731 flat angles C4'-P-C4' energy: -68.191 flat angles P-C4'-P energy: -42.871 tors. eta vs tors. theta energy: -92.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -879.171615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.171615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.171615 (E_RNA) where: Base-Base interactions energy: -600.702 where: short stacking energy: -247.705 Base-Backbone interact. energy: 1.154 local terms energy: -279.623884 where: bonds (distance) C4'-P energy: -54.849 bonds (distance) P-C4' energy: -65.802 flat angles C4'-P-C4' energy: -57.696 flat angles P-C4'-P energy: -40.883 tors. eta vs tors. theta energy: -60.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -846.870509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.870509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.870509 (E_RNA) where: Base-Base interactions energy: -566.432 where: short stacking energy: -226.939 Base-Backbone interact. energy: -2.601 local terms energy: -277.837596 where: bonds (distance) C4'-P energy: -65.537 bonds (distance) P-C4' energy: -64.485 flat angles C4'-P-C4' energy: -59.077 flat angles P-C4'-P energy: -32.194 tors. eta vs tors. theta energy: -56.544 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: 5 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -709.438761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.438761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.438761 (E_RNA) where: Base-Base interactions energy: -469.865 where: short stacking energy: -208.225 Base-Backbone interact. energy: -2.199 local terms energy: -237.373942 where: bonds (distance) C4'-P energy: -44.284 bonds (distance) P-C4' energy: -58.870 flat angles C4'-P-C4' energy: -60.083 flat angles P-C4'-P energy: -22.619 tors. eta vs tors. theta energy: -51.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -599.884668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.884668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.884668 (E_RNA) where: Base-Base interactions energy: -355.249 where: short stacking energy: -171.866 Base-Backbone interact. energy: 5.257 local terms energy: -249.892889 where: bonds (distance) C4'-P energy: -53.492 bonds (distance) P-C4' energy: -63.995 flat angles C4'-P-C4' energy: -57.021 flat angles P-C4'-P energy: -41.732 tors. eta vs tors. theta energy: -33.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -428.837487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.837487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.837487 (E_RNA) where: Base-Base interactions energy: -212.229 where: short stacking energy: -110.681 Base-Backbone interact. energy: 1.657 local terms energy: -218.265080 where: bonds (distance) C4'-P energy: -56.321 bonds (distance) P-C4' energy: -50.463 flat angles C4'-P-C4' energy: -62.133 flat angles P-C4'-P energy: -30.723 tors. eta vs tors. theta energy: -18.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -413.965559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.965559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.965559 (E_RNA) where: Base-Base interactions energy: -218.948 where: short stacking energy: -121.093 Base-Backbone interact. energy: -0.909 local terms energy: -194.107952 where: bonds (distance) C4'-P energy: -45.153 bonds (distance) P-C4' energy: -44.718 flat angles C4'-P-C4' energy: -50.607 flat angles P-C4'-P energy: -39.051 tors. eta vs tors. theta energy: -14.579 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: 10 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -1189.079908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.079908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.079908 (E_RNA) where: Base-Base interactions energy: -841.827 where: short stacking energy: -332.679 Base-Backbone interact. energy: -4.095 local terms energy: -343.157802 where: bonds (distance) C4'-P energy: -55.852 bonds (distance) P-C4' energy: -66.817 flat angles C4'-P-C4' energy: -78.193 flat angles P-C4'-P energy: -45.256 tors. eta vs tors. theta energy: -97.041 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: 2, replica: 9 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -1167.878864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.878864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.878864 (E_RNA) where: Base-Base interactions energy: -814.765 where: short stacking energy: -330.294 Base-Backbone interact. energy: -1.731 local terms energy: -351.383250 where: bonds (distance) C4'-P energy: -62.008 bonds (distance) P-C4' energy: -64.198 flat angles C4'-P-C4' energy: -75.862 flat angles P-C4'-P energy: -49.691 tors. eta vs tors. theta energy: -99.625 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: 6 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -1069.932818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.932818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.932818 (E_RNA) where: Base-Base interactions energy: -717.237 where: short stacking energy: -339.016 Base-Backbone interact. energy: -0.883 local terms energy: -351.813500 where: bonds (distance) C4'-P energy: -65.386 bonds (distance) P-C4' energy: -57.765 flat angles C4'-P-C4' energy: -75.200 flat angles P-C4'-P energy: -48.903 tors. eta vs tors. theta energy: -104.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -999.157303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.157303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.157303 (E_RNA) where: Base-Base interactions energy: -671.388 where: short stacking energy: -281.758 Base-Backbone interact. energy: -1.405 local terms energy: -326.364018 where: bonds (distance) C4'-P energy: -65.449 bonds (distance) P-C4' energy: -64.365 flat angles C4'-P-C4' energy: -75.982 flat angles P-C4'-P energy: -44.102 tors. eta vs tors. theta energy: -76.465 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: 1 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -874.982927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.982927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.982927 (E_RNA) where: Base-Base interactions energy: -596.339 where: short stacking energy: -232.598 Base-Backbone interact. energy: -1.839 local terms energy: -276.804665 where: bonds (distance) C4'-P energy: -50.581 bonds (distance) P-C4' energy: -66.601 flat angles C4'-P-C4' energy: -72.959 flat angles P-C4'-P energy: -38.568 tors. eta vs tors. theta energy: -48.096 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: 3 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -807.841202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.841202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.841202 (E_RNA) where: Base-Base interactions energy: -526.737 where: short stacking energy: -241.396 Base-Backbone interact. energy: -1.068 local terms energy: -280.035751 where: bonds (distance) C4'-P energy: -62.138 bonds (distance) P-C4' energy: -61.291 flat angles C4'-P-C4' energy: -55.861 flat angles P-C4'-P energy: -41.856 tors. eta vs tors. theta energy: -58.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -740.790084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -740.790084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -740.790084 (E_RNA) where: Base-Base interactions energy: -466.117 where: short stacking energy: -207.364 Base-Backbone interact. energy: -6.273 local terms energy: -268.401009 where: bonds (distance) C4'-P energy: -62.531 bonds (distance) P-C4' energy: -54.633 flat angles C4'-P-C4' energy: -70.065 flat angles P-C4'-P energy: -38.117 tors. eta vs tors. theta energy: -43.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -611.156022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.156022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.156022 (E_RNA) where: Base-Base interactions energy: -392.314 where: short stacking energy: -189.568 Base-Backbone interact. energy: -0.027 local terms energy: -218.815093 where: bonds (distance) C4'-P energy: -52.050 bonds (distance) P-C4' energy: -49.518 flat angles C4'-P-C4' energy: -63.950 flat angles P-C4'-P energy: -21.730 tors. eta vs tors. theta energy: -31.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -420.824626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.824626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.824626 (E_RNA) where: Base-Base interactions energy: -217.494 where: short stacking energy: -113.692 Base-Backbone interact. energy: -1.011 local terms energy: -202.319220 where: bonds (distance) C4'-P energy: -48.877 bonds (distance) P-C4' energy: -58.986 flat angles C4'-P-C4' energy: -50.955 flat angles P-C4'-P energy: -40.140 tors. eta vs tors. theta energy: -3.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -446.398377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.398377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.398377 (E_RNA) where: Base-Base interactions energy: -247.646 where: short stacking energy: -139.988 Base-Backbone interact. energy: -0.720 local terms energy: -198.032448 where: bonds (distance) C4'-P energy: -47.422 bonds (distance) P-C4' energy: -58.180 flat angles C4'-P-C4' energy: -45.245 flat angles P-C4'-P energy: -31.752 tors. eta vs tors. theta energy: -15.434 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: 10 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -1183.608903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.608903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.608903 (E_RNA) where: Base-Base interactions energy: -834.094 where: short stacking energy: -337.219 Base-Backbone interact. energy: -2.845 local terms energy: -346.670091 where: bonds (distance) C4'-P energy: -73.149 bonds (distance) P-C4' energy: -57.536 flat angles C4'-P-C4' energy: -74.765 flat angles P-C4'-P energy: -42.988 tors. eta vs tors. theta energy: -98.233 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: 9 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -1149.042736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.042736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.042736 (E_RNA) where: Base-Base interactions energy: -808.434 where: short stacking energy: -316.602 Base-Backbone interact. energy: -2.516 local terms energy: -338.092409 where: bonds (distance) C4'-P energy: -59.356 bonds (distance) P-C4' energy: -66.079 flat angles C4'-P-C4' energy: -72.579 flat angles P-C4'-P energy: -49.357 tors. eta vs tors. theta energy: -90.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -1098.289068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.289068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.289068 (E_RNA) where: Base-Base interactions energy: -731.420 where: short stacking energy: -343.883 Base-Backbone interact. energy: -2.049 local terms energy: -364.819382 where: bonds (distance) C4'-P energy: -67.785 bonds (distance) P-C4' energy: -57.076 flat angles C4'-P-C4' energy: -78.369 flat angles P-C4'-P energy: -49.326 tors. eta vs tors. theta energy: -112.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -993.461972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.461972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.461972 (E_RNA) where: Base-Base interactions energy: -681.032 where: short stacking energy: -303.406 Base-Backbone interact. energy: -0.062 local terms energy: -312.367993 where: bonds (distance) C4'-P energy: -54.324 bonds (distance) P-C4' energy: -52.586 flat angles C4'-P-C4' energy: -71.002 flat angles P-C4'-P energy: -45.986 tors. eta vs tors. theta energy: -88.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -881.645473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.645473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.645473 (E_RNA) where: Base-Base interactions energy: -591.650 where: short stacking energy: -251.096 Base-Backbone interact. energy: 4.281 local terms energy: -294.276917 where: bonds (distance) C4'-P energy: -63.345 bonds (distance) P-C4' energy: -65.235 flat angles C4'-P-C4' energy: -62.923 flat angles P-C4'-P energy: -39.110 tors. eta vs tors. theta energy: -63.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -822.931597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.931597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.931597 (E_RNA) where: Base-Base interactions energy: -553.106 where: short stacking energy: -254.864 Base-Backbone interact. energy: -3.122 local terms energy: -266.704017 where: bonds (distance) C4'-P energy: -51.386 bonds (distance) P-C4' energy: -52.088 flat angles C4'-P-C4' energy: -58.974 flat angles P-C4'-P energy: -40.257 tors. eta vs tors. theta energy: -63.999 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: 236 Temperature: 1.200000 Total energy: -728.000368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.000368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.000368 (E_RNA) where: Base-Base interactions energy: -487.579 where: short stacking energy: -201.924 Base-Backbone interact. energy: 0.369 local terms energy: -240.790709 where: bonds (distance) C4'-P energy: -54.168 bonds (distance) P-C4' energy: -56.790 flat angles C4'-P-C4' energy: -48.598 flat angles P-C4'-P energy: -43.035 tors. eta vs tors. theta energy: -38.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -626.605556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.605556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.605556 (E_RNA) where: Base-Base interactions energy: -386.222 where: short stacking energy: -184.720 Base-Backbone interact. energy: -0.556 local terms energy: -239.828096 where: bonds (distance) C4'-P energy: -57.065 bonds (distance) P-C4' energy: -53.893 flat angles C4'-P-C4' energy: -60.462 flat angles P-C4'-P energy: -32.211 tors. eta vs tors. theta energy: -36.196 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: 4 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -457.102395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.102395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.102395 (E_RNA) where: Base-Base interactions energy: -255.270 where: short stacking energy: -127.058 Base-Backbone interact. energy: -0.442 local terms energy: -201.389780 where: bonds (distance) C4'-P energy: -57.661 bonds (distance) P-C4' energy: -54.849 flat angles C4'-P-C4' energy: -45.528 flat angles P-C4'-P energy: -33.920 tors. eta vs tors. theta energy: -9.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -414.409439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.409439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.409439 (E_RNA) where: Base-Base interactions energy: -226.310 where: short stacking energy: -122.016 Base-Backbone interact. energy: -0.227 local terms energy: -187.871944 where: bonds (distance) C4'-P energy: -45.572 bonds (distance) P-C4' energy: -50.598 flat angles C4'-P-C4' energy: -48.657 flat angles P-C4'-P energy: -27.780 tors. eta vs tors. theta energy: -15.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -1178.664656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.664656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.664656 (E_RNA) where: Base-Base interactions energy: -816.975 where: short stacking energy: -322.195 Base-Backbone interact. energy: 1.730 local terms energy: -363.419541 where: bonds (distance) C4'-P energy: -66.369 bonds (distance) P-C4' energy: -71.681 flat angles C4'-P-C4' energy: -75.365 flat angles P-C4'-P energy: -52.067 tors. eta vs tors. theta energy: -97.937 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: 6 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -1103.511736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.511736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.511736 (E_RNA) where: Base-Base interactions energy: -735.270 where: short stacking energy: -351.571 Base-Backbone interact. energy: -1.168 local terms energy: -367.073845 where: bonds (distance) C4'-P energy: -70.207 bonds (distance) P-C4' energy: -61.123 flat angles C4'-P-C4' energy: -75.898 flat angles P-C4'-P energy: -54.733 tors. eta vs tors. theta energy: -105.112 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: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -1080.004196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.004196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.004196 (E_RNA) where: Base-Base interactions energy: -743.683 where: short stacking energy: -307.519 Base-Backbone interact. energy: -0.944 local terms energy: -335.377541 where: bonds (distance) C4'-P energy: -64.369 bonds (distance) P-C4' energy: -65.650 flat angles C4'-P-C4' energy: -65.985 flat angles P-C4'-P energy: -46.952 tors. eta vs tors. theta energy: -92.422 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: 8 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -1007.035917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.035917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.035917 (E_RNA) where: Base-Base interactions energy: -678.427 where: short stacking energy: -302.123 Base-Backbone interact. energy: -0.908 local terms energy: -327.700592 where: bonds (distance) C4'-P energy: -55.438 bonds (distance) P-C4' energy: -67.267 flat angles C4'-P-C4' energy: -67.137 flat angles P-C4'-P energy: -47.608 tors. eta vs tors. theta energy: -90.252 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: 1 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -876.226932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -876.226932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -876.226932 (E_RNA) where: Base-Base interactions energy: -592.046 where: short stacking energy: -252.752 Base-Backbone interact. energy: -1.317 local terms energy: -282.864498 where: bonds (distance) C4'-P energy: -49.402 bonds (distance) P-C4' energy: -60.219 flat angles C4'-P-C4' energy: -67.994 flat angles P-C4'-P energy: -43.558 tors. eta vs tors. theta energy: -61.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -816.614274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.614274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.614274 (E_RNA) where: Base-Base interactions energy: -546.588 where: short stacking energy: -215.790 Base-Backbone interact. energy: -1.199 local terms energy: -268.827025 where: bonds (distance) C4'-P energy: -54.500 bonds (distance) P-C4' energy: -62.746 flat angles C4'-P-C4' energy: -49.597 flat angles P-C4'-P energy: -45.717 tors. eta vs tors. theta energy: -56.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -684.130256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.130256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.130256 (E_RNA) where: Base-Base interactions energy: -432.694 where: short stacking energy: -196.911 Base-Backbone interact. energy: -3.298 local terms energy: -248.138251 where: bonds (distance) C4'-P energy: -45.120 bonds (distance) P-C4' energy: -62.174 flat angles C4'-P-C4' energy: -59.410 flat angles P-C4'-P energy: -39.115 tors. eta vs tors. theta energy: -42.319 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: 7 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -650.462923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.462923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.462923 (E_RNA) where: Base-Base interactions energy: -404.540 where: short stacking energy: -188.167 Base-Backbone interact. energy: 0.552 local terms energy: -246.474599 where: bonds (distance) C4'-P energy: -63.212 bonds (distance) P-C4' energy: -62.427 flat angles C4'-P-C4' energy: -54.223 flat angles P-C4'-P energy: -28.550 tors. eta vs tors. theta energy: -38.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -484.377660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.377660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.377660 (E_RNA) where: Base-Base interactions energy: -272.788 where: short stacking energy: -138.479 Base-Backbone interact. energy: 2.122 local terms energy: -213.711753 where: bonds (distance) C4'-P energy: -53.570 bonds (distance) P-C4' energy: -59.208 flat angles C4'-P-C4' energy: -50.734 flat angles P-C4'-P energy: -39.977 tors. eta vs tors. theta energy: -10.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -388.308760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.308760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.308760 (E_RNA) where: Base-Base interactions energy: -190.211 where: short stacking energy: -103.541 Base-Backbone interact. energy: -3.225 local terms energy: -194.873576 where: bonds (distance) C4'-P energy: -39.979 bonds (distance) P-C4' energy: -55.578 flat angles C4'-P-C4' energy: -62.025 flat angles P-C4'-P energy: -27.882 tors. eta vs tors. theta energy: -9.409 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: 10 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -1171.831411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.831411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.831411 (E_RNA) where: Base-Base interactions energy: -808.507 where: short stacking energy: -330.861 Base-Backbone interact. energy: -3.651 local terms energy: -359.673840 where: bonds (distance) C4'-P energy: -67.709 bonds (distance) P-C4' energy: -70.386 flat angles C4'-P-C4' energy: -73.044 flat angles P-C4'-P energy: -50.768 tors. eta vs tors. theta energy: -97.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -1093.365828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1093.365828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1093.365828 (E_RNA) where: Base-Base interactions energy: -727.671 where: short stacking energy: -344.292 Base-Backbone interact. energy: -0.411 local terms energy: -365.283385 where: bonds (distance) C4'-P energy: -68.080 bonds (distance) P-C4' energy: -68.848 flat angles C4'-P-C4' energy: -72.950 flat angles P-C4'-P energy: -48.408 tors. eta vs tors. theta energy: -106.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -1098.470033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.470033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.470033 (E_RNA) where: Base-Base interactions energy: -778.925 where: short stacking energy: -302.816 Base-Backbone interact. energy: -3.296 local terms energy: -316.249225 where: bonds (distance) C4'-P energy: -54.689 bonds (distance) P-C4' energy: -66.181 flat angles C4'-P-C4' energy: -61.049 flat angles P-C4'-P energy: -42.522 tors. eta vs tors. theta energy: -91.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -1019.790365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.790365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.790365 (E_RNA) where: Base-Base interactions energy: -703.544 where: short stacking energy: -300.580 Base-Backbone interact. energy: 1.807 local terms energy: -318.053341 where: bonds (distance) C4'-P energy: -67.984 bonds (distance) P-C4' energy: -56.458 flat angles C4'-P-C4' energy: -69.424 flat angles P-C4'-P energy: -44.855 tors. eta vs tors. theta energy: -79.332 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: 238 Temperature: 1.100000 Total energy: -851.514189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.514189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.514189 (E_RNA) where: Base-Base interactions energy: -572.875 where: short stacking energy: -243.560 Base-Backbone interact. energy: 0.284 local terms energy: -278.922914 where: bonds (distance) C4'-P energy: -59.000 bonds (distance) P-C4' energy: -53.117 flat angles C4'-P-C4' energy: -69.115 flat angles P-C4'-P energy: -42.492 tors. eta vs tors. theta energy: -55.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -855.450956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.450956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.450956 (E_RNA) where: Base-Base interactions energy: -587.452 where: short stacking energy: -240.365 Base-Backbone interact. energy: -2.271 local terms energy: -265.727351 where: bonds (distance) C4'-P energy: -50.047 bonds (distance) P-C4' energy: -67.612 flat angles C4'-P-C4' energy: -59.982 flat angles P-C4'-P energy: -38.757 tors. eta vs tors. theta energy: -49.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -690.233449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.233449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.233449 (E_RNA) where: Base-Base interactions energy: -428.144 where: short stacking energy: -207.743 Base-Backbone interact. energy: -0.362 local terms energy: -261.727001 where: bonds (distance) C4'-P energy: -53.317 bonds (distance) P-C4' energy: -64.929 flat angles C4'-P-C4' energy: -49.179 flat angles P-C4'-P energy: -38.877 tors. eta vs tors. theta energy: -55.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -739.253373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.253373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.253373 (E_RNA) where: Base-Base interactions energy: -466.691 where: short stacking energy: -213.853 Base-Backbone interact. energy: -2.728 local terms energy: -269.834282 where: bonds (distance) C4'-P energy: -59.655 bonds (distance) P-C4' energy: -65.120 flat angles C4'-P-C4' energy: -63.302 flat angles P-C4'-P energy: -34.914 tors. eta vs tors. theta energy: -46.844 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: 9, replica: 4 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -483.574753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.574753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.574753 (E_RNA) where: Base-Base interactions energy: -290.114 where: short stacking energy: -118.503 Base-Backbone interact. energy: -0.239 local terms energy: -193.221820 where: bonds (distance) C4'-P energy: -48.907 bonds (distance) P-C4' energy: -57.201 flat angles C4'-P-C4' energy: -55.266 flat angles P-C4'-P energy: -25.946 tors. eta vs tors. theta energy: -5.902 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: 2 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -290.343905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -290.343905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -290.343905 (E_RNA) where: Base-Base interactions energy: -109.874 where: short stacking energy: -60.365 Base-Backbone interact. energy: 1.341 local terms energy: -181.810062 where: bonds (distance) C4'-P energy: -59.738 bonds (distance) P-C4' energy: -54.402 flat angles C4'-P-C4' energy: -55.948 flat angles P-C4'-P energy: -27.704 tors. eta vs tors. theta energy: 15.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -1182.827135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.827135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.827135 (E_RNA) where: Base-Base interactions energy: -828.076 where: short stacking energy: -335.523 Base-Backbone interact. energy: -2.067 local terms energy: -352.684579 where: bonds (distance) C4'-P energy: -69.521 bonds (distance) P-C4' energy: -69.139 flat angles C4'-P-C4' energy: -70.122 flat angles P-C4'-P energy: -45.384 tors. eta vs tors. theta energy: -98.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -1131.611407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.611407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.611407 (E_RNA) where: Base-Base interactions energy: -784.357 where: short stacking energy: -308.935 Base-Backbone interact. energy: -1.402 local terms energy: -345.852172 where: bonds (distance) C4'-P energy: -64.631 bonds (distance) P-C4' energy: -64.247 flat angles C4'-P-C4' energy: -74.262 flat angles P-C4'-P energy: -48.091 tors. eta vs tors. theta energy: -94.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -1075.457677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.457677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.457677 (E_RNA) where: Base-Base interactions energy: -723.087 where: short stacking energy: -305.978 Base-Backbone interact. energy: -1.190 local terms energy: -351.180879 where: bonds (distance) C4'-P energy: -72.215 bonds (distance) P-C4' energy: -61.251 flat angles C4'-P-C4' energy: -66.719 flat angles P-C4'-P energy: -57.873 tors. eta vs tors. theta energy: -93.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -1017.543426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.543426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.543426 (E_RNA) where: Base-Base interactions energy: -704.688 where: short stacking energy: -316.205 Base-Backbone interact. energy: -0.698 local terms energy: -312.157347 where: bonds (distance) C4'-P energy: -53.774 bonds (distance) P-C4' energy: -54.087 flat angles C4'-P-C4' energy: -72.613 flat angles P-C4'-P energy: -45.364 tors. eta vs tors. theta energy: -86.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -849.853573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.853573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.853573 (E_RNA) where: Base-Base interactions energy: -567.268 where: short stacking energy: -269.878 Base-Backbone interact. energy: -0.583 local terms energy: -282.002721 where: bonds (distance) C4'-P energy: -53.084 bonds (distance) P-C4' energy: -61.728 flat angles C4'-P-C4' energy: -63.992 flat angles P-C4'-P energy: -38.703 tors. eta vs tors. theta energy: -64.495 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: 6, replica: 1 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -834.771210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.771210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.771210 (E_RNA) where: Base-Base interactions energy: -568.776 where: short stacking energy: -220.847 Base-Backbone interact. energy: 0.138 local terms energy: -266.133772 where: bonds (distance) C4'-P energy: -50.894 bonds (distance) P-C4' energy: -58.779 flat angles C4'-P-C4' energy: -64.050 flat angles P-C4'-P energy: -44.339 tors. eta vs tors. theta energy: -48.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -669.500010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.500010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.500010 (E_RNA) where: Base-Base interactions energy: -424.587 where: short stacking energy: -190.147 Base-Backbone interact. energy: 0.693 local terms energy: -245.605486 where: bonds (distance) C4'-P energy: -55.123 bonds (distance) P-C4' energy: -61.592 flat angles C4'-P-C4' energy: -60.193 flat angles P-C4'-P energy: -34.269 tors. eta vs tors. theta energy: -34.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -696.558815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.558815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.558815 (E_RNA) where: Base-Base interactions energy: -442.522 where: short stacking energy: -189.976 Base-Backbone interact. energy: -1.733 local terms energy: -252.303518 where: bonds (distance) C4'-P energy: -53.150 bonds (distance) P-C4' energy: -61.536 flat angles C4'-P-C4' energy: -60.088 flat angles P-C4'-P energy: -42.046 tors. eta vs tors. theta energy: -35.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -475.248982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -475.248982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -475.248982 (E_RNA) where: Base-Base interactions energy: -274.684 where: short stacking energy: -131.726 Base-Backbone interact. energy: -1.559 local terms energy: -199.005663 where: bonds (distance) C4'-P energy: -63.903 bonds (distance) P-C4' energy: -54.478 flat angles C4'-P-C4' energy: -45.524 flat angles P-C4'-P energy: -26.352 tors. eta vs tors. theta energy: -8.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -286.104150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.104150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.104150 (E_RNA) where: Base-Base interactions energy: -114.029 where: short stacking energy: -74.863 Base-Backbone interact. energy: -2.067 local terms energy: -170.008370 where: bonds (distance) C4'-P energy: -57.468 bonds (distance) P-C4' energy: -49.134 flat angles C4'-P-C4' energy: -52.490 flat angles P-C4'-P energy: -29.317 tors. eta vs tors. theta energy: 18.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -1175.991500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.991500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.991500 (E_RNA) where: Base-Base interactions energy: -824.212 where: short stacking energy: -311.231 Base-Backbone interact. energy: -1.460 local terms energy: -350.319689 where: bonds (distance) C4'-P energy: -59.082 bonds (distance) P-C4' energy: -67.678 flat angles C4'-P-C4' energy: -75.609 flat angles P-C4'-P energy: -50.459 tors. eta vs tors. theta energy: -97.492 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: 9 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -1149.830996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.830996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.830996 (E_RNA) where: Base-Base interactions energy: -799.907 where: short stacking energy: -329.673 Base-Backbone interact. energy: -1.438 local terms energy: -348.485648 where: bonds (distance) C4'-P energy: -64.174 bonds (distance) P-C4' energy: -64.240 flat angles C4'-P-C4' energy: -71.916 flat angles P-C4'-P energy: -51.370 tors. eta vs tors. theta energy: -96.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -1061.427977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1061.427977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1061.427977 (E_RNA) where: Base-Base interactions energy: -705.945 where: short stacking energy: -319.552 Base-Backbone interact. energy: 0.562 local terms energy: -356.044504 where: bonds (distance) C4'-P energy: -64.918 bonds (distance) P-C4' energy: -63.783 flat angles C4'-P-C4' energy: -74.649 flat angles P-C4'-P energy: -52.508 tors. eta vs tors. theta energy: -100.186 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: 8 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -1023.745704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.745704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.745704 (E_RNA) where: Base-Base interactions energy: -703.835 where: short stacking energy: -303.683 Base-Backbone interact. energy: -0.065 local terms energy: -319.845599 where: bonds (distance) C4'-P energy: -58.183 bonds (distance) P-C4' energy: -58.774 flat angles C4'-P-C4' energy: -69.573 flat angles P-C4'-P energy: -43.765 tors. eta vs tors. theta energy: -89.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -816.074198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.074198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.074198 (E_RNA) where: Base-Base interactions energy: -547.049 where: short stacking energy: -231.276 Base-Backbone interact. energy: -4.202 local terms energy: -264.822799 where: bonds (distance) C4'-P energy: -53.570 bonds (distance) P-C4' energy: -62.680 flat angles C4'-P-C4' energy: -59.857 flat angles P-C4'-P energy: -42.163 tors. eta vs tors. theta energy: -46.553 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: 3 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -866.804591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.804591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.804591 (E_RNA) where: Base-Base interactions energy: -592.286 where: short stacking energy: -256.723 Base-Backbone interact. energy: -2.842 local terms energy: -271.677001 where: bonds (distance) C4'-P energy: -50.671 bonds (distance) P-C4' energy: -55.500 flat angles C4'-P-C4' energy: -60.667 flat angles P-C4'-P energy: -38.517 tors. eta vs tors. theta energy: -66.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -706.120288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.120288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.120288 (E_RNA) where: Base-Base interactions energy: -452.610 where: short stacking energy: -206.622 Base-Backbone interact. energy: -0.672 local terms energy: -252.838260 where: bonds (distance) C4'-P energy: -54.629 bonds (distance) P-C4' energy: -59.865 flat angles C4'-P-C4' energy: -61.020 flat angles P-C4'-P energy: -37.657 tors. eta vs tors. theta energy: -39.666 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: 7 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -628.757507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.757507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.757507 (E_RNA) where: Base-Base interactions energy: -391.039 where: short stacking energy: -187.618 Base-Backbone interact. energy: 3.008 local terms energy: -240.726959 where: bonds (distance) C4'-P energy: -54.466 bonds (distance) P-C4' energy: -53.408 flat angles C4'-P-C4' energy: -51.137 flat angles P-C4'-P energy: -43.434 tors. eta vs tors. theta energy: -38.282 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: 9, replica: 4 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -500.740520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -500.740520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -500.740520 (E_RNA) where: Base-Base interactions energy: -296.688 where: short stacking energy: -145.594 Base-Backbone interact. energy: -0.997 local terms energy: -203.055959 where: bonds (distance) C4'-P energy: -50.463 bonds (distance) P-C4' energy: -64.991 flat angles C4'-P-C4' energy: -51.456 flat angles P-C4'-P energy: -22.554 tors. eta vs tors. theta energy: -13.591 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: 2 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -314.248333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -314.248333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -314.248333 (E_RNA) where: Base-Base interactions energy: -146.173 where: short stacking energy: -89.294 Base-Backbone interact. energy: -3.337 local terms energy: -164.737875 where: bonds (distance) C4'-P energy: -58.519 bonds (distance) P-C4' energy: -56.383 flat angles C4'-P-C4' energy: -44.144 flat angles P-C4'-P energy: -22.325 tors. eta vs tors. theta energy: 16.632 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: 10 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -1160.238401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.238401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.238401 (E_RNA) where: Base-Base interactions energy: -805.658 where: short stacking energy: -317.757 Base-Backbone interact. energy: -3.661 local terms energy: -350.919019 where: bonds (distance) C4'-P energy: -57.937 bonds (distance) P-C4' energy: -69.222 flat angles C4'-P-C4' energy: -74.001 flat angles P-C4'-P energy: -57.166 tors. eta vs tors. theta energy: -92.593 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: 9 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -1145.631150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.631150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.631150 (E_RNA) where: Base-Base interactions energy: -786.936 where: short stacking energy: -320.557 Base-Backbone interact. energy: -3.786 local terms energy: -354.908661 where: bonds (distance) C4'-P energy: -68.316 bonds (distance) P-C4' energy: -71.700 flat angles C4'-P-C4' energy: -78.493 flat angles P-C4'-P energy: -42.613 tors. eta vs tors. theta energy: -93.788 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: 6 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -1065.762569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.762569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.762569 (E_RNA) where: Base-Base interactions energy: -709.346 where: short stacking energy: -340.446 Base-Backbone interact. energy: -0.356 local terms energy: -356.060138 where: bonds (distance) C4'-P energy: -70.589 bonds (distance) P-C4' energy: -60.251 flat angles C4'-P-C4' energy: -75.546 flat angles P-C4'-P energy: -48.598 tors. eta vs tors. theta energy: -101.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -980.039813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.039813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.039813 (E_RNA) where: Base-Base interactions energy: -657.305 where: short stacking energy: -284.611 Base-Backbone interact. energy: 1.361 local terms energy: -324.095680 where: bonds (distance) C4'-P energy: -66.229 bonds (distance) P-C4' energy: -62.457 flat angles C4'-P-C4' energy: -66.893 flat angles P-C4'-P energy: -50.201 tors. eta vs tors. theta energy: -78.315 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: 1 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -863.932270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.932270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.932270 (E_RNA) where: Base-Base interactions energy: -581.263 where: short stacking energy: -251.400 Base-Backbone interact. energy: 1.066 local terms energy: -283.735136 where: bonds (distance) C4'-P energy: -49.752 bonds (distance) P-C4' energy: -62.290 flat angles C4'-P-C4' energy: -67.547 flat angles P-C4'-P energy: -45.903 tors. eta vs tors. theta energy: -58.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -884.430322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.430322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.430322 (E_RNA) where: Base-Base interactions energy: -580.550 where: short stacking energy: -238.368 Base-Backbone interact. energy: -3.848 local terms energy: -300.031966 where: bonds (distance) C4'-P energy: -62.942 bonds (distance) P-C4' energy: -59.224 flat angles C4'-P-C4' energy: -64.842 flat angles P-C4'-P energy: -54.102 tors. eta vs tors. theta energy: -58.923 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: 7, replica: 5 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -742.349563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.349563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.349563 (E_RNA) where: Base-Base interactions energy: -511.923 where: short stacking energy: -220.364 Base-Backbone interact. energy: 1.488 local terms energy: -231.914866 where: bonds (distance) C4'-P energy: -45.361 bonds (distance) P-C4' energy: -56.814 flat angles C4'-P-C4' energy: -44.995 flat angles P-C4'-P energy: -31.520 tors. eta vs tors. theta energy: -53.225 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: 7 ===================================== Write number: 241 Temperature: 1.250000 Total energy: -657.681813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.681813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.681813 (E_RNA) where: Base-Base interactions energy: -400.328 where: short stacking energy: -191.347 Base-Backbone interact. energy: -1.351 local terms energy: -256.002589 where: bonds (distance) C4'-P energy: -54.615 bonds (distance) P-C4' energy: -66.033 flat angles C4'-P-C4' energy: -58.880 flat angles P-C4'-P energy: -43.134 tors. eta vs tors. theta energy: -33.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -502.280375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.280375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.280375 (E_RNA) where: Base-Base interactions energy: -288.891 where: short stacking energy: -134.589 Base-Backbone interact. energy: 0.588 local terms energy: -213.976879 where: bonds (distance) C4'-P energy: -61.399 bonds (distance) P-C4' energy: -61.912 flat angles C4'-P-C4' energy: -45.235 flat angles P-C4'-P energy: -35.998 tors. eta vs tors. theta energy: -9.433 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: 241 Temperature: 1.350000 Total energy: -302.324866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -302.324866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -302.324866 (E_RNA) where: Base-Base interactions energy: -143.025 where: short stacking energy: -93.131 Base-Backbone interact. energy: 0.181 local terms energy: -159.481520 where: bonds (distance) C4'-P energy: -39.250 bonds (distance) P-C4' energy: -55.328 flat angles C4'-P-C4' energy: -48.146 flat angles P-C4'-P energy: -21.636 tors. eta vs tors. theta energy: 4.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -1161.927609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.927609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.927609 (E_RNA) where: Base-Base interactions energy: -831.047 where: short stacking energy: -333.382 Base-Backbone interact. energy: 0.048 local terms energy: -330.927768 where: bonds (distance) C4'-P energy: -61.588 bonds (distance) P-C4' energy: -60.136 flat angles C4'-P-C4' energy: -71.867 flat angles P-C4'-P energy: -38.793 tors. eta vs tors. theta energy: -98.544 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: 9 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -1147.127279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.127279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.127279 (E_RNA) where: Base-Base interactions energy: -809.404 where: short stacking energy: -333.553 Base-Backbone interact. energy: 2.220 local terms energy: -339.943286 where: bonds (distance) C4'-P energy: -62.280 bonds (distance) P-C4' energy: -65.576 flat angles C4'-P-C4' energy: -68.543 flat angles P-C4'-P energy: -48.190 tors. eta vs tors. theta energy: -95.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -1057.929263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.929263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.929263 (E_RNA) where: Base-Base interactions energy: -714.607 where: short stacking energy: -336.718 Base-Backbone interact. energy: 0.045 local terms energy: -343.366923 where: bonds (distance) C4'-P energy: -62.568 bonds (distance) P-C4' energy: -66.163 flat angles C4'-P-C4' energy: -67.549 flat angles P-C4'-P energy: -45.740 tors. eta vs tors. theta energy: -101.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -1014.012867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.012867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.012867 (E_RNA) where: Base-Base interactions energy: -703.545 where: short stacking energy: -283.697 Base-Backbone interact. energy: 0.810 local terms energy: -311.277511 where: bonds (distance) C4'-P energy: -52.489 bonds (distance) P-C4' energy: -55.612 flat angles C4'-P-C4' energy: -72.392 flat angles P-C4'-P energy: -45.691 tors. eta vs tors. theta energy: -85.093 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: 5, replica: 3 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -937.944831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.944831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.944831 (E_RNA) where: Base-Base interactions energy: -648.599 where: short stacking energy: -288.532 Base-Backbone interact. energy: -0.242 local terms energy: -289.104351 where: bonds (distance) C4'-P energy: -49.027 bonds (distance) P-C4' energy: -62.687 flat angles C4'-P-C4' energy: -63.046 flat angles P-C4'-P energy: -47.494 tors. eta vs tors. theta energy: -66.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -852.637551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.637551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.637551 (E_RNA) where: Base-Base interactions energy: -582.781 where: short stacking energy: -230.657 Base-Backbone interact. energy: -2.136 local terms energy: -267.720761 where: bonds (distance) C4'-P energy: -49.456 bonds (distance) P-C4' energy: -56.347 flat angles C4'-P-C4' energy: -64.295 flat angles P-C4'-P energy: -40.025 tors. eta vs tors. theta energy: -57.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -730.919398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.919398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.919398 (E_RNA) where: Base-Base interactions energy: -477.462 where: short stacking energy: -209.515 Base-Backbone interact. energy: 0.284 local terms energy: -253.740610 where: bonds (distance) C4'-P energy: -48.418 bonds (distance) P-C4' energy: -67.039 flat angles C4'-P-C4' energy: -60.898 flat angles P-C4'-P energy: -26.039 tors. eta vs tors. theta energy: -51.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -617.061403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.061403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.061403 (E_RNA) where: Base-Base interactions energy: -384.617 where: short stacking energy: -184.551 Base-Backbone interact. energy: -0.382 local terms energy: -232.062662 where: bonds (distance) C4'-P energy: -46.757 bonds (distance) P-C4' energy: -57.981 flat angles C4'-P-C4' energy: -59.596 flat angles P-C4'-P energy: -38.331 tors. eta vs tors. theta energy: -29.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -506.455295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -506.455295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -506.455295 (E_RNA) where: Base-Base interactions energy: -301.699 where: short stacking energy: -156.013 Base-Backbone interact. energy: -1.918 local terms energy: -202.838311 where: bonds (distance) C4'-P energy: -62.825 bonds (distance) P-C4' energy: -63.174 flat angles C4'-P-C4' energy: -46.080 flat angles P-C4'-P energy: -17.622 tors. eta vs tors. theta energy: -13.137 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: 2 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -285.139178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -285.139178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -285.139178 (E_RNA) where: Base-Base interactions energy: -93.162 where: short stacking energy: -85.507 Base-Backbone interact. energy: -0.785 local terms energy: -191.192508 where: bonds (distance) C4'-P energy: -47.019 bonds (distance) P-C4' energy: -54.322 flat angles C4'-P-C4' energy: -55.175 flat angles P-C4'-P energy: -23.472 tors. eta vs tors. theta energy: -11.204 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: 1, replica: 10 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -1170.081678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.081678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.081678 (E_RNA) where: Base-Base interactions energy: -827.503 where: short stacking energy: -323.903 Base-Backbone interact. energy: 0.729 local terms energy: -343.307661 where: bonds (distance) C4'-P energy: -68.272 bonds (distance) P-C4' energy: -65.513 flat angles C4'-P-C4' energy: -65.507 flat angles P-C4'-P energy: -53.929 tors. eta vs tors. theta energy: -90.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -1119.327742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.327742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.327742 (E_RNA) where: Base-Base interactions energy: -788.852 where: short stacking energy: -316.095 Base-Backbone interact. energy: -0.135 local terms energy: -330.340722 where: bonds (distance) C4'-P energy: -63.943 bonds (distance) P-C4' energy: -58.971 flat angles C4'-P-C4' energy: -71.561 flat angles P-C4'-P energy: -44.573 tors. eta vs tors. theta energy: -91.292 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: 3, replica: 6 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -1057.883990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.883990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.883990 (E_RNA) where: Base-Base interactions energy: -709.987 where: short stacking energy: -325.811 Base-Backbone interact. energy: -1.004 local terms energy: -346.892189 where: bonds (distance) C4'-P energy: -65.519 bonds (distance) P-C4' energy: -63.176 flat angles C4'-P-C4' energy: -70.830 flat angles P-C4'-P energy: -48.156 tors. eta vs tors. theta energy: -99.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -997.426979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.426979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.426979 (E_RNA) where: Base-Base interactions energy: -706.149 where: short stacking energy: -288.629 Base-Backbone interact. energy: -1.979 local terms energy: -289.298194 where: bonds (distance) C4'-P energy: -51.629 bonds (distance) P-C4' energy: -56.417 flat angles C4'-P-C4' energy: -60.184 flat angles P-C4'-P energy: -44.215 tors. eta vs tors. theta energy: -76.853 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: 243 Temperature: 1.100000 Total energy: -954.197395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.197395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.197395 (E_RNA) where: Base-Base interactions energy: -645.415 where: short stacking energy: -272.699 Base-Backbone interact. energy: -1.059 local terms energy: -307.723018 where: bonds (distance) C4'-P energy: -61.788 bonds (distance) P-C4' energy: -55.854 flat angles C4'-P-C4' energy: -67.971 flat angles P-C4'-P energy: -49.269 tors. eta vs tors. theta energy: -72.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -865.028228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.028228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.028228 (E_RNA) where: Base-Base interactions energy: -573.061 where: short stacking energy: -230.901 Base-Backbone interact. energy: -0.077 local terms energy: -291.890123 where: bonds (distance) C4'-P energy: -52.204 bonds (distance) P-C4' energy: -66.144 flat angles C4'-P-C4' energy: -68.025 flat angles P-C4'-P energy: -44.471 tors. eta vs tors. theta energy: -61.047 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: 5 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -747.876058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.876058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.876058 (E_RNA) where: Base-Base interactions energy: -481.706 where: short stacking energy: -210.677 Base-Backbone interact. energy: 1.784 local terms energy: -267.954351 where: bonds (distance) C4'-P energy: -51.905 bonds (distance) P-C4' energy: -63.385 flat angles C4'-P-C4' energy: -59.234 flat angles P-C4'-P energy: -44.093 tors. eta vs tors. theta energy: -49.338 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: 7 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -655.633248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.633248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.633248 (E_RNA) where: Base-Base interactions energy: -405.382 where: short stacking energy: -187.420 Base-Backbone interact. energy: 1.877 local terms energy: -252.128164 where: bonds (distance) C4'-P energy: -49.498 bonds (distance) P-C4' energy: -57.969 flat angles C4'-P-C4' energy: -64.355 flat angles P-C4'-P energy: -40.611 tors. eta vs tors. theta energy: -39.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -548.962035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -548.962035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -548.962035 (E_RNA) where: Base-Base interactions energy: -328.113 where: short stacking energy: -151.561 Base-Backbone interact. energy: -1.179 local terms energy: -219.670147 where: bonds (distance) C4'-P energy: -51.160 bonds (distance) P-C4' energy: -51.860 flat angles C4'-P-C4' energy: -54.620 flat angles P-C4'-P energy: -39.742 tors. eta vs tors. theta energy: -22.288 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: 10, replica: 2 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -296.452707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.452707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.452707 (E_RNA) where: Base-Base interactions energy: -104.855 where: short stacking energy: -90.430 Base-Backbone interact. energy: -0.315 local terms energy: -191.282990 where: bonds (distance) C4'-P energy: -44.593 bonds (distance) P-C4' energy: -66.822 flat angles C4'-P-C4' energy: -53.876 flat angles P-C4'-P energy: -27.020 tors. eta vs tors. theta energy: 1.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -1179.268100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.268100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.268100 (E_RNA) where: Base-Base interactions energy: -837.428 where: short stacking energy: -338.831 Base-Backbone interact. energy: 1.916 local terms energy: -343.756247 where: bonds (distance) C4'-P energy: -52.859 bonds (distance) P-C4' energy: -61.502 flat angles C4'-P-C4' energy: -75.988 flat angles P-C4'-P energy: -52.294 tors. eta vs tors. theta energy: -101.114 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: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -1136.811232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.811232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.811232 (E_RNA) where: Base-Base interactions energy: -779.457 where: short stacking energy: -333.617 Base-Backbone interact. energy: -1.324 local terms energy: -356.030507 where: bonds (distance) C4'-P energy: -69.791 bonds (distance) P-C4' energy: -56.142 flat angles C4'-P-C4' energy: -77.968 flat angles P-C4'-P energy: -54.615 tors. eta vs tors. theta energy: -97.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -1082.867118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.867118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.867118 (E_RNA) where: Base-Base interactions energy: -747.101 where: short stacking energy: -317.288 Base-Backbone interact. energy: -2.258 local terms energy: -333.508448 where: bonds (distance) C4'-P energy: -59.861 bonds (distance) P-C4' energy: -66.850 flat angles C4'-P-C4' energy: -74.504 flat angles P-C4'-P energy: -46.629 tors. eta vs tors. theta energy: -85.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -1036.750170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.750170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.750170 (E_RNA) where: Base-Base interactions energy: -699.064 where: short stacking energy: -311.264 Base-Backbone interact. energy: -1.375 local terms energy: -336.311800 where: bonds (distance) C4'-P energy: -54.202 bonds (distance) P-C4' energy: -65.618 flat angles C4'-P-C4' energy: -69.998 flat angles P-C4'-P energy: -50.505 tors. eta vs tors. theta energy: -95.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -915.774286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.774286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.774286 (E_RNA) where: Base-Base interactions energy: -614.984 where: short stacking energy: -248.423 Base-Backbone interact. energy: -0.909 local terms energy: -299.882015 where: bonds (distance) C4'-P energy: -64.186 bonds (distance) P-C4' energy: -50.875 flat angles C4'-P-C4' energy: -74.164 flat angles P-C4'-P energy: -47.226 tors. eta vs tors. theta energy: -63.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -866.677845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.677845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.677845 (E_RNA) where: Base-Base interactions energy: -597.584 where: short stacking energy: -249.488 Base-Backbone interact. energy: 0.074 local terms energy: -269.168501 where: bonds (distance) C4'-P energy: -59.834 bonds (distance) P-C4' energy: -51.594 flat angles C4'-P-C4' energy: -66.502 flat angles P-C4'-P energy: -33.423 tors. eta vs tors. theta energy: -57.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -778.057721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.057721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.057721 (E_RNA) where: Base-Base interactions energy: -525.950 where: short stacking energy: -219.589 Base-Backbone interact. energy: -2.595 local terms energy: -249.511849 where: bonds (distance) C4'-P energy: -61.853 bonds (distance) P-C4' energy: -48.259 flat angles C4'-P-C4' energy: -51.890 flat angles P-C4'-P energy: -38.104 tors. eta vs tors. theta energy: -49.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -672.020077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -672.020077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -672.020077 (E_RNA) where: Base-Base interactions energy: -433.549 where: short stacking energy: -187.263 Base-Backbone interact. energy: -0.865 local terms energy: -237.605617 where: bonds (distance) C4'-P energy: -55.073 bonds (distance) P-C4' energy: -48.297 flat angles C4'-P-C4' energy: -60.068 flat angles P-C4'-P energy: -37.646 tors. eta vs tors. theta energy: -36.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -599.886813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.886813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.886813 (E_RNA) where: Base-Base interactions energy: -384.848 where: short stacking energy: -172.898 Base-Backbone interact. energy: -2.884 local terms energy: -212.154559 where: bonds (distance) C4'-P energy: -44.032 bonds (distance) P-C4' energy: -59.146 flat angles C4'-P-C4' energy: -53.147 flat angles P-C4'-P energy: -35.581 tors. eta vs tors. theta energy: -20.249 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: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -340.105682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.105682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.105682 (E_RNA) where: Base-Base interactions energy: -152.424 where: short stacking energy: -106.248 Base-Backbone interact. energy: 0.352 local terms energy: -188.033396 where: bonds (distance) C4'-P energy: -47.113 bonds (distance) P-C4' energy: -59.326 flat angles C4'-P-C4' energy: -48.506 flat angles P-C4'-P energy: -23.058 tors. eta vs tors. theta energy: -10.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -1187.127914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.127914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.127914 (E_RNA) where: Base-Base interactions energy: -836.536 where: short stacking energy: -348.941 Base-Backbone interact. energy: -3.868 local terms energy: -346.723940 where: bonds (distance) C4'-P energy: -65.922 bonds (distance) P-C4' energy: -56.695 flat angles C4'-P-C4' energy: -76.005 flat angles P-C4'-P energy: -47.704 tors. eta vs tors. theta energy: -100.398 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: 9 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -1132.418323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.418323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.418323 (E_RNA) where: Base-Base interactions energy: -790.891 where: short stacking energy: -323.345 Base-Backbone interact. energy: -0.757 local terms energy: -340.769913 where: bonds (distance) C4'-P energy: -54.546 bonds (distance) P-C4' energy: -64.632 flat angles C4'-P-C4' energy: -76.001 flat angles P-C4'-P energy: -47.375 tors. eta vs tors. theta energy: -98.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -1043.405449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.405449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.405449 (E_RNA) where: Base-Base interactions energy: -710.496 where: short stacking energy: -301.181 Base-Backbone interact. energy: -1.851 local terms energy: -331.058557 where: bonds (distance) C4'-P energy: -62.483 bonds (distance) P-C4' energy: -72.306 flat angles C4'-P-C4' energy: -67.220 flat angles P-C4'-P energy: -40.204 tors. eta vs tors. theta energy: -88.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -1029.905126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.905126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.905126 (E_RNA) where: Base-Base interactions energy: -700.033 where: short stacking energy: -309.073 Base-Backbone interact. energy: -1.398 local terms energy: -328.474543 where: bonds (distance) C4'-P energy: -59.415 bonds (distance) P-C4' energy: -45.202 flat angles C4'-P-C4' energy: -76.537 flat angles P-C4'-P energy: -49.098 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: 5, replica: 3 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -911.278753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.278753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.278753 (E_RNA) where: Base-Base interactions energy: -619.408 where: short stacking energy: -244.119 Base-Backbone interact. energy: -0.213 local terms energy: -291.657821 where: bonds (distance) C4'-P energy: -55.985 bonds (distance) P-C4' energy: -70.290 flat angles C4'-P-C4' energy: -60.392 flat angles P-C4'-P energy: -33.111 tors. eta vs tors. theta energy: -71.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -870.089623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.089623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.089623 (E_RNA) where: Base-Base interactions energy: -599.015 where: short stacking energy: -246.395 Base-Backbone interact. energy: -2.091 local terms energy: -268.983490 where: bonds (distance) C4'-P energy: -63.690 bonds (distance) P-C4' energy: -48.846 flat angles C4'-P-C4' energy: -69.207 flat angles P-C4'-P energy: -30.980 tors. eta vs tors. theta energy: -56.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -710.921276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.921276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.921276 (E_RNA) where: Base-Base interactions energy: -459.955 where: short stacking energy: -208.230 Base-Backbone interact. energy: -0.735 local terms energy: -250.232030 where: bonds (distance) C4'-P energy: -58.353 bonds (distance) P-C4' energy: -61.255 flat angles C4'-P-C4' energy: -55.427 flat angles P-C4'-P energy: -33.979 tors. eta vs tors. theta energy: -41.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -661.005752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.005752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.005752 (E_RNA) where: Base-Base interactions energy: -414.234 where: short stacking energy: -195.889 Base-Backbone interact. energy: -1.834 local terms energy: -244.938417 where: bonds (distance) C4'-P energy: -58.873 bonds (distance) P-C4' energy: -56.367 flat angles C4'-P-C4' energy: -56.409 flat angles P-C4'-P energy: -39.920 tors. eta vs tors. theta energy: -33.369 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: 9, replica: 4 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -599.780152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.780152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.780152 (E_RNA) where: Base-Base interactions energy: -388.146 where: short stacking energy: -156.631 Base-Backbone interact. energy: 3.494 local terms energy: -215.127921 where: bonds (distance) C4'-P energy: -49.071 bonds (distance) P-C4' energy: -66.330 flat angles C4'-P-C4' energy: -39.564 flat angles P-C4'-P energy: -35.275 tors. eta vs tors. theta energy: -24.888 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: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -316.205123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -316.205123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -316.205123 (E_RNA) where: Base-Base interactions energy: -157.347 where: short stacking energy: -90.797 Base-Backbone interact. energy: 2.112 local terms energy: -160.969965 where: bonds (distance) C4'-P energy: -55.282 bonds (distance) P-C4' energy: -58.892 flat angles C4'-P-C4' energy: -32.771 flat angles P-C4'-P energy: -17.169 tors. eta vs tors. theta energy: 3.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -1184.762570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.762570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.762570 (E_RNA) where: Base-Base interactions energy: -821.987 where: short stacking energy: -334.338 Base-Backbone interact. energy: -3.490 local terms energy: -359.285575 where: bonds (distance) C4'-P energy: -60.311 bonds (distance) P-C4' energy: -70.954 flat angles C4'-P-C4' energy: -80.190 flat angles P-C4'-P energy: -50.441 tors. eta vs tors. theta energy: -97.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -1117.321190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.321190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.321190 (E_RNA) where: Base-Base interactions energy: -768.842 where: short stacking energy: -323.944 Base-Backbone interact. energy: -1.363 local terms energy: -347.115993 where: bonds (distance) C4'-P energy: -64.737 bonds (distance) P-C4' energy: -67.637 flat angles C4'-P-C4' energy: -72.291 flat angles P-C4'-P energy: -52.774 tors. eta vs tors. theta energy: -89.677 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: 6 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -1086.783008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.783008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.783008 (E_RNA) where: Base-Base interactions energy: -723.806 where: short stacking energy: -343.135 Base-Backbone interact. energy: -2.456 local terms energy: -360.521438 where: bonds (distance) C4'-P energy: -61.822 bonds (distance) P-C4' energy: -68.318 flat angles C4'-P-C4' energy: -74.284 flat angles P-C4'-P energy: -51.603 tors. eta vs tors. theta energy: -104.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -1022.258320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.258320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.258320 (E_RNA) where: Base-Base interactions energy: -692.818 where: short stacking energy: -301.120 Base-Backbone interact. energy: -3.466 local terms energy: -325.974101 where: bonds (distance) C4'-P energy: -56.247 bonds (distance) P-C4' energy: -64.805 flat angles C4'-P-C4' energy: -73.290 flat angles P-C4'-P energy: -45.284 tors. eta vs tors. theta energy: -86.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 246 Temperature: 1.100000 Total energy: -941.210145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.210145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.210145 (E_RNA) where: Base-Base interactions energy: -632.625 where: short stacking energy: -258.993 Base-Backbone interact. energy: 0.550 local terms energy: -309.135576 where: bonds (distance) C4'-P energy: -63.105 bonds (distance) P-C4' energy: -60.314 flat angles C4'-P-C4' energy: -71.790 flat angles P-C4'-P energy: -41.980 tors. eta vs tors. theta energy: -71.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -865.781653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.781653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.781653 (E_RNA) where: Base-Base interactions energy: -569.151 where: short stacking energy: -248.139 Base-Backbone interact. energy: 0.175 local terms energy: -296.805982 where: bonds (distance) C4'-P energy: -63.111 bonds (distance) P-C4' energy: -59.568 flat angles C4'-P-C4' energy: -65.716 flat angles P-C4'-P energy: -41.247 tors. eta vs tors. theta energy: -67.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -713.277848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.277848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.277848 (E_RNA) where: Base-Base interactions energy: -459.323 where: short stacking energy: -217.717 Base-Backbone interact. energy: 2.973 local terms energy: -256.928147 where: bonds (distance) C4'-P energy: -60.530 bonds (distance) P-C4' energy: -57.558 flat angles C4'-P-C4' energy: -64.698 flat angles P-C4'-P energy: -26.064 tors. eta vs tors. theta energy: -48.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -659.135179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.135179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.135179 (E_RNA) where: Base-Base interactions energy: -424.043 where: short stacking energy: -195.247 Base-Backbone interact. energy: 2.061 local terms energy: -237.153424 where: bonds (distance) C4'-P energy: -45.205 bonds (distance) P-C4' energy: -61.334 flat angles C4'-P-C4' energy: -57.135 flat angles P-C4'-P energy: -41.326 tors. eta vs tors. theta energy: -32.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -567.980237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.980237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.980237 (E_RNA) where: Base-Base interactions energy: -378.252 where: short stacking energy: -169.555 Base-Backbone interact. energy: 1.899 local terms energy: -191.626936 where: bonds (distance) C4'-P energy: -46.059 bonds (distance) P-C4' energy: -49.309 flat angles C4'-P-C4' energy: -32.668 flat angles P-C4'-P energy: -31.528 tors. eta vs tors. theta energy: -32.062 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: 246 Temperature: 1.350000 Total energy: -260.972254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -260.972254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -260.972254 (E_RNA) where: Base-Base interactions energy: -106.336 where: short stacking energy: -79.544 Base-Backbone interact. energy: 1.609 local terms energy: -156.245324 where: bonds (distance) C4'-P energy: -50.979 bonds (distance) P-C4' energy: -54.512 flat angles C4'-P-C4' energy: -47.265 flat angles P-C4'-P energy: -24.609 tors. eta vs tors. theta energy: 21.119 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: 10 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -1187.519029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.519029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.519029 (E_RNA) where: Base-Base interactions energy: -842.167 where: short stacking energy: -336.883 Base-Backbone interact. energy: -2.580 local terms energy: -342.771867 where: bonds (distance) C4'-P energy: -63.321 bonds (distance) P-C4' energy: -62.092 flat angles C4'-P-C4' energy: -75.762 flat angles P-C4'-P energy: -46.391 tors. eta vs tors. theta energy: -95.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -1127.189872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.189872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.189872 (E_RNA) where: Base-Base interactions energy: -780.888 where: short stacking energy: -322.145 Base-Backbone interact. energy: -0.740 local terms energy: -345.562233 where: bonds (distance) C4'-P energy: -67.699 bonds (distance) P-C4' energy: -73.986 flat angles C4'-P-C4' energy: -68.441 flat angles P-C4'-P energy: -46.395 tors. eta vs tors. theta energy: -89.041 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: 6 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -1057.511558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1057.511558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1057.511558 (E_RNA) where: Base-Base interactions energy: -704.495 where: short stacking energy: -322.193 Base-Backbone interact. energy: -1.203 local terms energy: -351.813614 where: bonds (distance) C4'-P energy: -58.088 bonds (distance) P-C4' energy: -74.448 flat angles C4'-P-C4' energy: -73.665 flat angles P-C4'-P energy: -51.385 tors. eta vs tors. theta energy: -94.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -1029.309079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.309079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.309079 (E_RNA) where: Base-Base interactions energy: -706.972 where: short stacking energy: -285.322 Base-Backbone interact. energy: -0.358 local terms energy: -321.979731 where: bonds (distance) C4'-P energy: -53.480 bonds (distance) P-C4' energy: -68.236 flat angles C4'-P-C4' energy: -69.771 flat angles P-C4'-P energy: -44.777 tors. eta vs tors. theta energy: -85.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -915.349828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.349828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.349828 (E_RNA) where: Base-Base interactions energy: -629.351 where: short stacking energy: -255.567 Base-Backbone interact. energy: -2.157 local terms energy: -283.841582 where: bonds (distance) C4'-P energy: -58.215 bonds (distance) P-C4' energy: -69.197 flat angles C4'-P-C4' energy: -57.964 flat angles P-C4'-P energy: -36.671 tors. eta vs tors. theta energy: -61.794 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: 3 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -883.852411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -883.852411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -883.852411 (E_RNA) where: Base-Base interactions energy: -595.287 where: short stacking energy: -260.687 Base-Backbone interact. energy: -1.026 local terms energy: -287.538734 where: bonds (distance) C4'-P energy: -66.828 bonds (distance) P-C4' energy: -54.748 flat angles C4'-P-C4' energy: -57.834 flat angles P-C4'-P energy: -37.082 tors. eta vs tors. theta energy: -71.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -690.309787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.309787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.309787 (E_RNA) where: Base-Base interactions energy: -427.801 where: short stacking energy: -226.422 Base-Backbone interact. energy: 0.731 local terms energy: -263.238883 where: bonds (distance) C4'-P energy: -52.963 bonds (distance) P-C4' energy: -61.672 flat angles C4'-P-C4' energy: -61.438 flat angles P-C4'-P energy: -41.603 tors. eta vs tors. theta energy: -45.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -679.533953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.533953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.533953 (E_RNA) where: Base-Base interactions energy: -436.379 where: short stacking energy: -180.766 Base-Backbone interact. energy: -0.519 local terms energy: -242.635875 where: bonds (distance) C4'-P energy: -52.945 bonds (distance) P-C4' energy: -56.742 flat angles C4'-P-C4' energy: -61.994 flat angles P-C4'-P energy: -33.500 tors. eta vs tors. theta energy: -37.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -579.992818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.992818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.992818 (E_RNA) where: Base-Base interactions energy: -363.666 where: short stacking energy: -161.644 Base-Backbone interact. energy: 0.099 local terms energy: -216.425815 where: bonds (distance) C4'-P energy: -51.823 bonds (distance) P-C4' energy: -57.711 flat angles C4'-P-C4' energy: -52.399 flat angles P-C4'-P energy: -24.977 tors. eta vs tors. theta energy: -29.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -268.072729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -268.072729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -268.072729 (E_RNA) where: Base-Base interactions energy: -111.963 where: short stacking energy: -82.935 Base-Backbone interact. energy: -0.460 local terms energy: -155.649467 where: bonds (distance) C4'-P energy: -44.985 bonds (distance) P-C4' energy: -56.720 flat angles C4'-P-C4' energy: -34.208 flat angles P-C4'-P energy: -24.129 tors. eta vs tors. theta energy: 4.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -1182.421444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.421444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.421444 (E_RNA) where: Base-Base interactions energy: -825.920 where: short stacking energy: -350.527 Base-Backbone interact. energy: -3.973 local terms energy: -352.527759 where: bonds (distance) C4'-P energy: -66.356 bonds (distance) P-C4' energy: -67.501 flat angles C4'-P-C4' energy: -69.935 flat angles P-C4'-P energy: -44.691 tors. eta vs tors. theta energy: -104.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -1121.501601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.501601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.501601 (E_RNA) where: Base-Base interactions energy: -776.384 where: short stacking energy: -309.414 Base-Backbone interact. energy: 0.001 local terms energy: -345.119461 where: bonds (distance) C4'-P energy: -55.326 bonds (distance) P-C4' energy: -77.654 flat angles C4'-P-C4' energy: -69.344 flat angles P-C4'-P energy: -51.535 tors. eta vs tors. theta energy: -91.260 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: 6 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -1074.582878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.582878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.582878 (E_RNA) where: Base-Base interactions energy: -705.873 where: short stacking energy: -338.286 Base-Backbone interact. energy: -0.643 local terms energy: -368.066008 where: bonds (distance) C4'-P energy: -65.386 bonds (distance) P-C4' energy: -61.995 flat angles C4'-P-C4' energy: -78.560 flat angles P-C4'-P energy: -56.057 tors. eta vs tors. theta energy: -106.068 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: 8 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -989.188059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.188059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.188059 (E_RNA) where: Base-Base interactions energy: -679.015 where: short stacking energy: -285.954 Base-Backbone interact. energy: -3.014 local terms energy: -307.159059 where: bonds (distance) C4'-P energy: -63.260 bonds (distance) P-C4' energy: -54.596 flat angles C4'-P-C4' energy: -67.247 flat angles P-C4'-P energy: -45.438 tors. eta vs tors. theta energy: -76.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -939.311653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.311653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.311653 (E_RNA) where: Base-Base interactions energy: -651.046 where: short stacking energy: -263.498 Base-Backbone interact. energy: 3.299 local terms energy: -291.564637 where: bonds (distance) C4'-P energy: -44.408 bonds (distance) P-C4' energy: -61.159 flat angles C4'-P-C4' energy: -68.172 flat angles P-C4'-P energy: -44.210 tors. eta vs tors. theta energy: -73.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -888.394095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.394095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.394095 (E_RNA) where: Base-Base interactions energy: -593.878 where: short stacking energy: -252.601 Base-Backbone interact. energy: -1.387 local terms energy: -293.128364 where: bonds (distance) C4'-P energy: -62.056 bonds (distance) P-C4' energy: -59.318 flat angles C4'-P-C4' energy: -53.794 flat angles P-C4'-P energy: -43.973 tors. eta vs tors. theta energy: -73.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -724.445065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.445065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.445065 (E_RNA) where: Base-Base interactions energy: -450.298 where: short stacking energy: -218.733 Base-Backbone interact. energy: 0.201 local terms energy: -274.347504 where: bonds (distance) C4'-P energy: -60.215 bonds (distance) P-C4' energy: -57.913 flat angles C4'-P-C4' energy: -59.709 flat angles P-C4'-P energy: -46.704 tors. eta vs tors. theta energy: -49.806 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: 5 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -649.727019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.727019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.727019 (E_RNA) where: Base-Base interactions energy: -421.228 where: short stacking energy: -188.313 Base-Backbone interact. energy: -1.018 local terms energy: -227.480966 where: bonds (distance) C4'-P energy: -39.054 bonds (distance) P-C4' energy: -68.311 flat angles C4'-P-C4' energy: -46.552 flat angles P-C4'-P energy: -33.543 tors. eta vs tors. theta energy: -40.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -584.804293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.804293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.804293 (E_RNA) where: Base-Base interactions energy: -365.797 where: short stacking energy: -172.126 Base-Backbone interact. energy: 0.819 local terms energy: -219.826751 where: bonds (distance) C4'-P energy: -64.413 bonds (distance) P-C4' energy: -48.742 flat angles C4'-P-C4' energy: -40.450 flat angles P-C4'-P energy: -37.093 tors. eta vs tors. theta energy: -29.130 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: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -298.849354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -298.849354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -298.849354 (E_RNA) where: Base-Base interactions energy: -107.490 where: short stacking energy: -94.742 Base-Backbone interact. energy: 1.786 local terms energy: -193.145607 where: bonds (distance) C4'-P energy: -47.308 bonds (distance) P-C4' energy: -50.860 flat angles C4'-P-C4' energy: -57.615 flat angles P-C4'-P energy: -25.386 tors. eta vs tors. theta energy: -11.976 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: 10 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -1148.313177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.313177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.313177 (E_RNA) where: Base-Base interactions energy: -803.490 where: short stacking energy: -333.058 Base-Backbone interact. energy: -4.210 local terms energy: -340.613620 where: bonds (distance) C4'-P energy: -54.983 bonds (distance) P-C4' energy: -71.878 flat angles C4'-P-C4' energy: -75.307 flat angles P-C4'-P energy: -41.149 tors. eta vs tors. theta energy: -97.296 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: 9 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -1130.567920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.567920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.567920 (E_RNA) where: Base-Base interactions energy: -793.424 where: short stacking energy: -318.881 Base-Backbone interact. energy: -3.596 local terms energy: -333.547874 where: bonds (distance) C4'-P energy: -57.057 bonds (distance) P-C4' energy: -62.554 flat angles C4'-P-C4' energy: -71.613 flat angles P-C4'-P energy: -50.590 tors. eta vs tors. theta energy: -91.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -1064.867639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1064.867639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1064.867639 (E_RNA) where: Base-Base interactions energy: -725.469 where: short stacking energy: -324.480 Base-Backbone interact. energy: -1.891 local terms energy: -337.507587 where: bonds (distance) C4'-P energy: -64.176 bonds (distance) P-C4' energy: -59.978 flat angles C4'-P-C4' energy: -71.804 flat angles P-C4'-P energy: -44.965 tors. eta vs tors. theta energy: -96.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -1026.368836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.368836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.368836 (E_RNA) where: Base-Base interactions energy: -706.403 where: short stacking energy: -305.262 Base-Backbone interact. energy: -2.204 local terms energy: -317.762379 where: bonds (distance) C4'-P energy: -54.121 bonds (distance) P-C4' energy: -64.218 flat angles C4'-P-C4' energy: -71.017 flat angles P-C4'-P energy: -40.102 tors. eta vs tors. theta energy: -88.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -937.589368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.589368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.589368 (E_RNA) where: Base-Base interactions energy: -642.758 where: short stacking energy: -241.054 Base-Backbone interact. energy: -2.255 local terms energy: -292.576868 where: bonds (distance) C4'-P energy: -61.312 bonds (distance) P-C4' energy: -60.775 flat angles C4'-P-C4' energy: -60.504 flat angles P-C4'-P energy: -43.426 tors. eta vs tors. theta energy: -66.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -853.393106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.393106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.393106 (E_RNA) where: Base-Base interactions energy: -554.552 where: short stacking energy: -248.930 Base-Backbone interact. energy: -1.951 local terms energy: -296.890283 where: bonds (distance) C4'-P energy: -56.476 bonds (distance) P-C4' energy: -71.565 flat angles C4'-P-C4' energy: -72.737 flat angles P-C4'-P energy: -34.569 tors. eta vs tors. theta energy: -61.544 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: 7 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -760.279578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.279578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.279578 (E_RNA) where: Base-Base interactions energy: -496.595 where: short stacking energy: -225.979 Base-Backbone interact. energy: -1.560 local terms energy: -262.124993 where: bonds (distance) C4'-P energy: -51.513 bonds (distance) P-C4' energy: -63.498 flat angles C4'-P-C4' energy: -64.147 flat angles P-C4'-P energy: -35.260 tors. eta vs tors. theta energy: -47.706 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: 4 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -598.853577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -598.853577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -598.853577 (E_RNA) where: Base-Base interactions energy: -364.363 where: short stacking energy: -167.824 Base-Backbone interact. energy: 0.886 local terms energy: -235.375980 where: bonds (distance) C4'-P energy: -65.375 bonds (distance) P-C4' energy: -58.299 flat angles C4'-P-C4' energy: -48.805 flat angles P-C4'-P energy: -29.892 tors. eta vs tors. theta energy: -33.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -617.650566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.650566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.650566 (E_RNA) where: Base-Base interactions energy: -394.627 where: short stacking energy: -173.045 Base-Backbone interact. energy: -0.721 local terms energy: -222.302143 where: bonds (distance) C4'-P energy: -49.352 bonds (distance) P-C4' energy: -59.711 flat angles C4'-P-C4' energy: -53.672 flat angles P-C4'-P energy: -33.999 tors. eta vs tors. theta energy: -25.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -269.329938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -269.329938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -269.329938 (E_RNA) where: Base-Base interactions energy: -94.865 where: short stacking energy: -67.518 Base-Backbone interact. energy: -0.959 local terms energy: -173.505973 where: bonds (distance) C4'-P energy: -52.831 bonds (distance) P-C4' energy: -54.978 flat angles C4'-P-C4' energy: -47.845 flat angles P-C4'-P energy: -32.832 tors. eta vs tors. theta energy: 14.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -1180.935848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.935848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.935848 (E_RNA) where: Base-Base interactions energy: -840.336 where: short stacking energy: -339.811 Base-Backbone interact. energy: -2.078 local terms energy: -338.521486 where: bonds (distance) C4'-P energy: -65.496 bonds (distance) P-C4' energy: -59.231 flat angles C4'-P-C4' energy: -73.997 flat angles P-C4'-P energy: -43.967 tors. eta vs tors. theta energy: -95.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -1126.878486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.878486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.878486 (E_RNA) where: Base-Base interactions energy: -788.150 where: short stacking energy: -338.318 Base-Backbone interact. energy: -2.540 local terms energy: -336.188317 where: bonds (distance) C4'-P energy: -53.821 bonds (distance) P-C4' energy: -69.429 flat angles C4'-P-C4' energy: -75.512 flat angles P-C4'-P energy: -46.362 tors. eta vs tors. theta energy: -91.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -1051.717451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.717451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.717451 (E_RNA) where: Base-Base interactions energy: -733.425 where: short stacking energy: -290.672 Base-Backbone interact. energy: -2.759 local terms energy: -315.533377 where: bonds (distance) C4'-P energy: -49.907 bonds (distance) P-C4' energy: -56.446 flat angles C4'-P-C4' energy: -73.585 flat angles P-C4'-P energy: -47.165 tors. eta vs tors. theta energy: -88.430 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: 6 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -1035.562508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.562508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.562508 (E_RNA) where: Base-Base interactions energy: -707.051 where: short stacking energy: -317.293 Base-Backbone interact. energy: -0.729 local terms energy: -327.782310 where: bonds (distance) C4'-P energy: -63.441 bonds (distance) P-C4' energy: -63.599 flat angles C4'-P-C4' energy: -59.248 flat angles P-C4'-P energy: -42.108 tors. eta vs tors. theta energy: -99.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -911.116627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.116627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.116627 (E_RNA) where: Base-Base interactions energy: -605.845 where: short stacking energy: -253.112 Base-Backbone interact. energy: -3.243 local terms energy: -302.028361 where: bonds (distance) C4'-P energy: -53.164 bonds (distance) P-C4' energy: -72.582 flat angles C4'-P-C4' energy: -68.327 flat angles P-C4'-P energy: -38.180 tors. eta vs tors. theta energy: -69.775 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: 6, replica: 3 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -863.341547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.341547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.341547 (E_RNA) where: Base-Base interactions energy: -572.144 where: short stacking energy: -243.461 Base-Backbone interact. energy: -0.798 local terms energy: -290.398816 where: bonds (distance) C4'-P energy: -58.756 bonds (distance) P-C4' energy: -59.866 flat angles C4'-P-C4' energy: -58.171 flat angles P-C4'-P energy: -43.291 tors. eta vs tors. theta energy: -70.315 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: 4 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -643.347805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.347805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.347805 (E_RNA) where: Base-Base interactions energy: -402.955 where: short stacking energy: -190.099 Base-Backbone interact. energy: 4.788 local terms energy: -245.180446 where: bonds (distance) C4'-P energy: -63.589 bonds (distance) P-C4' energy: -57.733 flat angles C4'-P-C4' energy: -47.665 flat angles P-C4'-P energy: -42.433 tors. eta vs tors. theta energy: -33.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -701.775573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.775573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.775573 (E_RNA) where: Base-Base interactions energy: -452.071 where: short stacking energy: -192.274 Base-Backbone interact. energy: -2.782 local terms energy: -246.922356 where: bonds (distance) C4'-P energy: -41.901 bonds (distance) P-C4' energy: -63.588 flat angles C4'-P-C4' energy: -52.026 flat angles P-C4'-P energy: -42.341 tors. eta vs tors. theta energy: -47.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 250 Temperature: 1.300000 Total energy: -631.507229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.507229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.507229 (E_RNA) where: Base-Base interactions energy: -419.219 where: short stacking energy: -177.096 Base-Backbone interact. energy: -0.842 local terms energy: -211.445774 where: bonds (distance) C4'-P energy: -45.790 bonds (distance) P-C4' energy: -50.729 flat angles C4'-P-C4' energy: -53.650 flat angles P-C4'-P energy: -31.856 tors. eta vs tors. theta energy: -29.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -281.433554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.433554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.433554 (E_RNA) where: Base-Base interactions energy: -96.777 where: short stacking energy: -70.087 Base-Backbone interact. energy: -0.357 local terms energy: -184.299985 where: bonds (distance) C4'-P energy: -55.933 bonds (distance) P-C4' energy: -57.573 flat angles C4'-P-C4' energy: -54.063 flat angles P-C4'-P energy: -35.692 tors. eta vs tors. theta energy: 18.961 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: 10 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -1157.724563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.724563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.724563 (E_RNA) where: Base-Base interactions energy: -805.561 where: short stacking energy: -321.811 Base-Backbone interact. energy: -3.680 local terms energy: -348.484140 where: bonds (distance) C4'-P energy: -63.767 bonds (distance) P-C4' energy: -72.772 flat angles C4'-P-C4' energy: -63.037 flat angles P-C4'-P energy: -54.718 tors. eta vs tors. theta energy: -94.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -1139.491387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.491387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.491387 (E_RNA) where: Base-Base interactions energy: -782.409 where: short stacking energy: -313.807 Base-Backbone interact. energy: -3.080 local terms energy: -354.002715 where: bonds (distance) C4'-P energy: -58.520 bonds (distance) P-C4' energy: -70.674 flat angles C4'-P-C4' energy: -70.548 flat angles P-C4'-P energy: -53.820 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: 3, replica: 8 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -1058.864980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.864980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.864980 (E_RNA) where: Base-Base interactions energy: -731.615 where: short stacking energy: -311.495 Base-Backbone interact. energy: -1.455 local terms energy: -325.794992 where: bonds (distance) C4'-P energy: -59.237 bonds (distance) P-C4' energy: -55.819 flat angles C4'-P-C4' energy: -72.111 flat angles P-C4'-P energy: -44.851 tors. eta vs tors. theta energy: -93.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -1036.493845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1036.493845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1036.493845 (E_RNA) where: Base-Base interactions energy: -694.503 where: short stacking energy: -320.974 Base-Backbone interact. energy: 0.015 local terms energy: -342.006073 where: bonds (distance) C4'-P energy: -61.981 bonds (distance) P-C4' energy: -70.444 flat angles C4'-P-C4' energy: -68.432 flat angles P-C4'-P energy: -49.749 tors. eta vs tors. theta energy: -91.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -938.281234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.281234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.281234 (E_RNA) where: Base-Base interactions energy: -656.214 where: short stacking energy: -271.178 Base-Backbone interact. energy: 1.055 local terms energy: -283.122838 where: bonds (distance) C4'-P energy: -48.179 bonds (distance) P-C4' energy: -68.380 flat angles C4'-P-C4' energy: -62.120 flat angles P-C4'-P energy: -33.158 tors. eta vs tors. theta energy: -71.286 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: 3 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -837.988993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.988993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.988993 (E_RNA) where: Base-Base interactions energy: -557.248 where: short stacking energy: -239.008 Base-Backbone interact. energy: -1.815 local terms energy: -278.926024 where: bonds (distance) C4'-P energy: -64.433 bonds (distance) P-C4' energy: -57.851 flat angles C4'-P-C4' energy: -60.504 flat angles P-C4'-P energy: -38.552 tors. eta vs tors. theta energy: -57.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -658.515156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.515156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.515156 (E_RNA) where: Base-Base interactions energy: -415.174 where: short stacking energy: -186.653 Base-Backbone interact. energy: -0.719 local terms energy: -242.621917 where: bonds (distance) C4'-P energy: -50.721 bonds (distance) P-C4' energy: -72.288 flat angles C4'-P-C4' energy: -57.533 flat angles P-C4'-P energy: -34.268 tors. eta vs tors. theta energy: -27.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -649.341267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.341267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.341267 (E_RNA) where: Base-Base interactions energy: -407.357 where: short stacking energy: -190.397 Base-Backbone interact. energy: -1.775 local terms energy: -240.208887 where: bonds (distance) C4'-P energy: -51.160 bonds (distance) P-C4' energy: -59.944 flat angles C4'-P-C4' energy: -55.507 flat angles P-C4'-P energy: -31.328 tors. eta vs tors. theta energy: -42.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -629.175228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.175228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.175228 (E_RNA) where: Base-Base interactions energy: -367.509 where: short stacking energy: -153.487 Base-Backbone interact. energy: -2.067 local terms energy: -259.599234 where: bonds (distance) C4'-P energy: -59.714 bonds (distance) P-C4' energy: -58.569 flat angles C4'-P-C4' energy: -61.260 flat angles P-C4'-P energy: -42.897 tors. eta vs tors. theta energy: -37.159 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: 2 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -281.687614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -281.687614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -281.687614 (E_RNA) where: Base-Base interactions energy: -111.626 where: short stacking energy: -80.027 Base-Backbone interact. energy: -3.443 local terms energy: -166.619315 where: bonds (distance) C4'-P energy: -51.950 bonds (distance) P-C4' energy: -55.861 flat angles C4'-P-C4' energy: -47.255 flat angles P-C4'-P energy: -23.347 tors. eta vs tors. theta energy: 11.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -1162.463553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.463553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.463553 (E_RNA) where: Base-Base interactions energy: -804.366 where: short stacking energy: -332.473 Base-Backbone interact. energy: -2.045 local terms energy: -356.053500 where: bonds (distance) C4'-P energy: -68.873 bonds (distance) P-C4' energy: -65.445 flat angles C4'-P-C4' energy: -75.050 flat angles P-C4'-P energy: -48.404 tors. eta vs tors. theta energy: -98.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -1149.977401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.977401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.977401 (E_RNA) where: Base-Base interactions energy: -808.605 where: short stacking energy: -327.830 Base-Backbone interact. energy: -1.252 local terms energy: -340.120262 where: bonds (distance) C4'-P energy: -63.379 bonds (distance) P-C4' energy: -59.123 flat angles C4'-P-C4' energy: -69.609 flat angles P-C4'-P energy: -48.760 tors. eta vs tors. theta energy: -99.250 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: 8 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -1053.541542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1053.541542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1053.541542 (E_RNA) where: Base-Base interactions energy: -717.919 where: short stacking energy: -306.437 Base-Backbone interact. energy: -1.399 local terms energy: -334.223551 where: bonds (distance) C4'-P energy: -63.540 bonds (distance) P-C4' energy: -65.558 flat angles C4'-P-C4' energy: -69.465 flat angles P-C4'-P energy: -40.781 tors. eta vs tors. theta energy: -94.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -1015.668145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.668145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.668145 (E_RNA) where: Base-Base interactions energy: -680.337 where: short stacking energy: -316.883 Base-Backbone interact. energy: -0.512 local terms energy: -334.819560 where: bonds (distance) C4'-P energy: -60.272 bonds (distance) P-C4' energy: -56.803 flat angles C4'-P-C4' energy: -77.079 flat angles P-C4'-P energy: -51.895 tors. eta vs tors. theta energy: -88.771 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: 1 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -936.107953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.107953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.107953 (E_RNA) where: Base-Base interactions energy: -651.223 where: short stacking energy: -267.495 Base-Backbone interact. energy: -1.147 local terms energy: -283.737914 where: bonds (distance) C4'-P energy: -55.487 bonds (distance) P-C4' energy: -43.084 flat angles C4'-P-C4' energy: -73.379 flat angles P-C4'-P energy: -43.971 tors. eta vs tors. theta energy: -67.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -864.027376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.027376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.027376 (E_RNA) where: Base-Base interactions energy: -572.042 where: short stacking energy: -226.293 Base-Backbone interact. energy: -0.603 local terms energy: -291.382735 where: bonds (distance) C4'-P energy: -57.498 bonds (distance) P-C4' energy: -54.961 flat angles C4'-P-C4' energy: -68.346 flat angles P-C4'-P energy: -41.878 tors. eta vs tors. theta energy: -68.700 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: 7, replica: 7 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -662.701598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.701598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.701598 (E_RNA) where: Base-Base interactions energy: -432.261 where: short stacking energy: -182.922 Base-Backbone interact. energy: -2.170 local terms energy: -228.270636 where: bonds (distance) C4'-P energy: -54.368 bonds (distance) P-C4' energy: -55.862 flat angles C4'-P-C4' energy: -51.491 flat angles P-C4'-P energy: -37.721 tors. eta vs tors. theta energy: -28.829 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: 252 Temperature: 1.250000 Total energy: -663.860718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.860718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.860718 (E_RNA) where: Base-Base interactions energy: -420.187 where: short stacking energy: -192.741 Base-Backbone interact. energy: 1.229 local terms energy: -244.902529 where: bonds (distance) C4'-P energy: -51.952 bonds (distance) P-C4' energy: -61.024 flat angles C4'-P-C4' energy: -61.482 flat angles P-C4'-P energy: -23.531 tors. eta vs tors. theta energy: -46.914 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: 5 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -565.328594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.328594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.328594 (E_RNA) where: Base-Base interactions energy: -370.275 where: short stacking energy: -145.596 Base-Backbone interact. energy: -2.367 local terms energy: -192.686862 where: bonds (distance) C4'-P energy: -43.494 bonds (distance) P-C4' energy: -58.478 flat angles C4'-P-C4' energy: -53.396 flat angles P-C4'-P energy: -21.391 tors. eta vs tors. theta energy: -15.928 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: 10, replica: 2 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -278.800087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -278.800087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -278.800087 (E_RNA) where: Base-Base interactions energy: -111.033 where: short stacking energy: -79.931 Base-Backbone interact. energy: 1.668 local terms energy: -169.435135 where: bonds (distance) C4'-P energy: -39.565 bonds (distance) P-C4' energy: -64.790 flat angles C4'-P-C4' energy: -48.146 flat angles P-C4'-P energy: -26.197 tors. eta vs tors. theta energy: 9.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -1171.910165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.910165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.910165 (E_RNA) where: Base-Base interactions energy: -825.564 where: short stacking energy: -342.154 Base-Backbone interact. energy: -3.350 local terms energy: -342.995861 where: bonds (distance) C4'-P energy: -53.828 bonds (distance) P-C4' energy: -70.558 flat angles C4'-P-C4' energy: -77.784 flat angles P-C4'-P energy: -48.065 tors. eta vs tors. theta energy: -92.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -1109.886455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.886455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.886455 (E_RNA) where: Base-Base interactions energy: -761.262 where: short stacking energy: -349.740 Base-Backbone interact. energy: -3.259 local terms energy: -345.365386 where: bonds (distance) C4'-P energy: -56.332 bonds (distance) P-C4' energy: -62.546 flat angles C4'-P-C4' energy: -78.676 flat angles P-C4'-P energy: -44.546 tors. eta vs tors. theta energy: -103.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -1121.645185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.645185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.645185 (E_RNA) where: Base-Base interactions energy: -786.130 where: short stacking energy: -316.399 Base-Backbone interact. energy: -4.436 local terms energy: -331.079460 where: bonds (distance) C4'-P energy: -66.574 bonds (distance) P-C4' energy: -62.887 flat angles C4'-P-C4' energy: -74.150 flat angles P-C4'-P energy: -38.258 tors. eta vs tors. theta energy: -89.210 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: 6 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -1022.229125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.229125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.229125 (E_RNA) where: Base-Base interactions energy: -703.395 where: short stacking energy: -318.119 Base-Backbone interact. energy: -0.959 local terms energy: -317.875634 where: bonds (distance) C4'-P energy: -51.015 bonds (distance) P-C4' energy: -60.543 flat angles C4'-P-C4' energy: -69.817 flat angles P-C4'-P energy: -46.071 tors. eta vs tors. theta energy: -90.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -926.568184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.568184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.568184 (E_RNA) where: Base-Base interactions energy: -641.139 where: short stacking energy: -242.410 Base-Backbone interact. energy: -1.891 local terms energy: -283.538688 where: bonds (distance) C4'-P energy: -64.101 bonds (distance) P-C4' energy: -59.201 flat angles C4'-P-C4' energy: -57.680 flat angles P-C4'-P energy: -39.432 tors. eta vs tors. theta energy: -63.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -834.565679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.565679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.565679 (E_RNA) where: Base-Base interactions energy: -553.315 where: short stacking energy: -233.668 Base-Backbone interact. energy: -2.051 local terms energy: -279.200052 where: bonds (distance) C4'-P energy: -57.288 bonds (distance) P-C4' energy: -57.494 flat angles C4'-P-C4' energy: -63.082 flat angles P-C4'-P energy: -41.241 tors. eta vs tors. theta energy: -60.096 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: 7 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -664.449586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.449586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.449586 (E_RNA) where: Base-Base interactions energy: -408.896 where: short stacking energy: -184.598 Base-Backbone interact. energy: 0.659 local terms energy: -256.212905 where: bonds (distance) C4'-P energy: -54.143 bonds (distance) P-C4' energy: -56.178 flat angles C4'-P-C4' energy: -62.340 flat angles P-C4'-P energy: -42.152 tors. eta vs tors. theta energy: -41.400 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: 8, replica: 4 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -654.189239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.189239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.189239 (E_RNA) where: Base-Base interactions energy: -418.000 where: short stacking energy: -182.156 Base-Backbone interact. energy: -0.901 local terms energy: -235.288897 where: bonds (distance) C4'-P energy: -51.195 bonds (distance) P-C4' energy: -56.616 flat angles C4'-P-C4' energy: -51.896 flat angles P-C4'-P energy: -34.729 tors. eta vs tors. theta energy: -40.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -649.252957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.252957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.252957 (E_RNA) where: Base-Base interactions energy: -425.614 where: short stacking energy: -198.652 Base-Backbone interact. energy: -0.082 local terms energy: -223.557067 where: bonds (distance) C4'-P energy: -48.640 bonds (distance) P-C4' energy: -43.618 flat angles C4'-P-C4' energy: -58.337 flat angles P-C4'-P energy: -23.440 tors. eta vs tors. theta energy: -49.522 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: 253 Temperature: 1.350000 Total energy: -292.494003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -292.494003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -292.494003 (E_RNA) where: Base-Base interactions energy: -121.513 where: short stacking energy: -92.309 Base-Backbone interact. energy: 1.341 local terms energy: -172.321824 where: bonds (distance) C4'-P energy: -59.412 bonds (distance) P-C4' energy: -51.333 flat angles C4'-P-C4' energy: -49.680 flat angles P-C4'-P energy: -18.682 tors. eta vs tors. theta energy: 6.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -1170.111847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.111847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.111847 (E_RNA) where: Base-Base interactions energy: -825.827 where: short stacking energy: -343.228 Base-Backbone interact. energy: -3.327 local terms energy: -340.958642 where: bonds (distance) C4'-P energy: -60.683 bonds (distance) P-C4' energy: -67.563 flat angles C4'-P-C4' energy: -74.861 flat angles P-C4'-P energy: -38.773 tors. eta vs tors. theta energy: -99.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -1143.864797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.864797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.864797 (E_RNA) where: Base-Base interactions energy: -764.162 where: short stacking energy: -331.237 Base-Backbone interact. energy: -3.530 local terms energy: -376.172502 where: bonds (distance) C4'-P energy: -65.320 bonds (distance) P-C4' energy: -73.157 flat angles C4'-P-C4' energy: -79.620 flat angles P-C4'-P energy: -52.941 tors. eta vs tors. theta energy: -105.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -1159.408796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.408796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.408796 (E_RNA) where: Base-Base interactions energy: -826.342 where: short stacking energy: -323.605 Base-Backbone interact. energy: 0.093 local terms energy: -333.160137 where: bonds (distance) C4'-P energy: -56.705 bonds (distance) P-C4' energy: -60.446 flat angles C4'-P-C4' energy: -70.240 flat angles P-C4'-P energy: -48.093 tors. eta vs tors. theta energy: -97.676 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: 6 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -1034.982132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.982132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.982132 (E_RNA) where: Base-Base interactions energy: -715.042 where: short stacking energy: -312.610 Base-Backbone interact. energy: 0.389 local terms energy: -320.329718 where: bonds (distance) C4'-P energy: -64.977 bonds (distance) P-C4' energy: -52.428 flat angles C4'-P-C4' energy: -70.746 flat angles P-C4'-P energy: -44.145 tors. eta vs tors. theta energy: -88.033 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: 3 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -937.010556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.010556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.010556 (E_RNA) where: Base-Base interactions energy: -645.849 where: short stacking energy: -248.557 Base-Backbone interact. energy: -3.144 local terms energy: -288.017990 where: bonds (distance) C4'-P energy: -59.131 bonds (distance) P-C4' energy: -58.860 flat angles C4'-P-C4' energy: -67.992 flat angles P-C4'-P energy: -38.625 tors. eta vs tors. theta energy: -63.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -890.051851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.051851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.051851 (E_RNA) where: Base-Base interactions energy: -602.285 where: short stacking energy: -252.996 Base-Backbone interact. energy: -2.971 local terms energy: -284.795499 where: bonds (distance) C4'-P energy: -54.875 bonds (distance) P-C4' energy: -67.343 flat angles C4'-P-C4' energy: -67.526 flat angles P-C4'-P energy: -32.991 tors. eta vs tors. theta energy: -62.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -664.837515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -664.837515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -664.837515 (E_RNA) where: Base-Base interactions energy: -422.670 where: short stacking energy: -184.029 Base-Backbone interact. energy: -1.514 local terms energy: -240.653885 where: bonds (distance) C4'-P energy: -51.596 bonds (distance) P-C4' energy: -66.830 flat angles C4'-P-C4' energy: -51.422 flat angles P-C4'-P energy: -37.168 tors. eta vs tors. theta energy: -33.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -673.072789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.072789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.072789 (E_RNA) where: Base-Base interactions energy: -445.551 where: short stacking energy: -193.460 Base-Backbone interact. energy: 0.225 local terms energy: -227.746373 where: bonds (distance) C4'-P energy: -63.242 bonds (distance) P-C4' energy: -51.306 flat angles C4'-P-C4' energy: -55.830 flat angles P-C4'-P energy: -16.087 tors. eta vs tors. theta energy: -41.282 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: 9, replica: 5 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -652.228722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -652.228722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -652.228722 (E_RNA) where: Base-Base interactions energy: -432.151 where: short stacking energy: -189.887 Base-Backbone interact. energy: -1.330 local terms energy: -218.747461 where: bonds (distance) C4'-P energy: -54.658 bonds (distance) P-C4' energy: -48.830 flat angles C4'-P-C4' energy: -55.824 flat angles P-C4'-P energy: -27.871 tors. eta vs tors. theta energy: -31.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -270.114530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -270.114530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -270.114530 (E_RNA) where: Base-Base interactions energy: -109.564 where: short stacking energy: -84.803 Base-Backbone interact. energy: 3.363 local terms energy: -163.913147 where: bonds (distance) C4'-P energy: -65.480 bonds (distance) P-C4' energy: -53.611 flat angles C4'-P-C4' energy: -38.614 flat angles P-C4'-P energy: -21.190 tors. eta vs tors. theta energy: 14.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -1175.217511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.217511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.217511 (E_RNA) where: Base-Base interactions energy: -815.642 where: short stacking energy: -330.040 Base-Backbone interact. energy: -0.954 local terms energy: -358.621894 where: bonds (distance) C4'-P energy: -65.697 bonds (distance) P-C4' energy: -63.000 flat angles C4'-P-C4' energy: -82.216 flat angles P-C4'-P energy: -49.506 tors. eta vs tors. theta energy: -98.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -1121.186502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.186502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.186502 (E_RNA) where: Base-Base interactions energy: -755.378 where: short stacking energy: -324.222 Base-Backbone interact. energy: -0.368 local terms energy: -365.440711 where: bonds (distance) C4'-P energy: -62.008 bonds (distance) P-C4' energy: -69.880 flat angles C4'-P-C4' energy: -76.556 flat angles P-C4'-P energy: -52.325 tors. eta vs tors. theta energy: -104.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -1116.697933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.697933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.697933 (E_RNA) where: Base-Base interactions energy: -785.213 where: short stacking energy: -313.135 Base-Backbone interact. energy: -0.751 local terms energy: -330.733867 where: bonds (distance) C4'-P energy: -65.014 bonds (distance) P-C4' energy: -66.910 flat angles C4'-P-C4' energy: -74.217 flat angles P-C4'-P energy: -37.875 tors. eta vs tors. theta energy: -86.718 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: 6 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -1046.436195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.436195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.436195 (E_RNA) where: Base-Base interactions energy: -713.017 where: short stacking energy: -311.013 Base-Backbone interact. energy: -1.310 local terms energy: -332.108492 where: bonds (distance) C4'-P energy: -56.796 bonds (distance) P-C4' energy: -65.946 flat angles C4'-P-C4' energy: -74.597 flat angles P-C4'-P energy: -49.245 tors. eta vs tors. theta energy: -85.524 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: 5, replica: 3 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -935.058054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.058054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.058054 (E_RNA) where: Base-Base interactions energy: -636.598 where: short stacking energy: -263.559 Base-Backbone interact. energy: -0.388 local terms energy: -298.071509 where: bonds (distance) C4'-P energy: -61.512 bonds (distance) P-C4' energy: -61.137 flat angles C4'-P-C4' energy: -70.585 flat angles P-C4'-P energy: -43.955 tors. eta vs tors. theta energy: -60.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -856.558603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -856.558603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -856.558603 (E_RNA) where: Base-Base interactions energy: -585.190 where: short stacking energy: -254.064 Base-Backbone interact. energy: 5.290 local terms energy: -276.658788 where: bonds (distance) C4'-P energy: -54.486 bonds (distance) P-C4' energy: -67.162 flat angles C4'-P-C4' energy: -49.236 flat angles P-C4'-P energy: -39.610 tors. eta vs tors. theta energy: -66.164 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: 4 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -673.410479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.410479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.410479 (E_RNA) where: Base-Base interactions energy: -400.062 where: short stacking energy: -177.776 Base-Backbone interact. energy: -2.219 local terms energy: -271.130394 where: bonds (distance) C4'-P energy: -59.596 bonds (distance) P-C4' energy: -67.774 flat angles C4'-P-C4' energy: -67.844 flat angles P-C4'-P energy: -36.199 tors. eta vs tors. theta energy: -39.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -667.532862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -667.532862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -667.532862 (E_RNA) where: Base-Base interactions energy: -437.543 where: short stacking energy: -188.259 Base-Backbone interact. energy: -3.445 local terms energy: -226.544578 where: bonds (distance) C4'-P energy: -53.375 bonds (distance) P-C4' energy: -54.158 flat angles C4'-P-C4' energy: -54.437 flat angles P-C4'-P energy: -38.579 tors. eta vs tors. theta energy: -25.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -594.781070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.781070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.781070 (E_RNA) where: Base-Base interactions energy: -367.242 where: short stacking energy: -183.020 Base-Backbone interact. energy: 0.588 local terms energy: -228.127495 where: bonds (distance) C4'-P energy: -47.677 bonds (distance) P-C4' energy: -50.523 flat angles C4'-P-C4' energy: -53.782 flat angles P-C4'-P energy: -45.033 tors. eta vs tors. theta energy: -31.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -276.153258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -276.153258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -276.153258 (E_RNA) where: Base-Base interactions energy: -85.339 where: short stacking energy: -75.016 Base-Backbone interact. energy: 2.318 local terms energy: -193.132144 where: bonds (distance) C4'-P energy: -58.858 bonds (distance) P-C4' energy: -66.845 flat angles C4'-P-C4' energy: -43.221 flat angles P-C4'-P energy: -25.600 tors. eta vs tors. theta energy: 1.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -1168.404985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.404985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.404985 (E_RNA) where: Base-Base interactions energy: -817.203 where: short stacking energy: -347.980 Base-Backbone interact. energy: 0.486 local terms energy: -351.688271 where: bonds (distance) C4'-P energy: -64.554 bonds (distance) P-C4' energy: -64.548 flat angles C4'-P-C4' energy: -76.661 flat angles P-C4'-P energy: -49.681 tors. eta vs tors. theta energy: -96.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -1151.924809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.924809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.924809 (E_RNA) where: Base-Base interactions energy: -808.270 where: short stacking energy: -318.685 Base-Backbone interact. energy: -1.217 local terms energy: -342.437905 where: bonds (distance) C4'-P energy: -60.276 bonds (distance) P-C4' energy: -66.589 flat angles C4'-P-C4' energy: -77.233 flat angles P-C4'-P energy: -47.796 tors. eta vs tors. theta energy: -90.544 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: 3, replica: 10 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -1103.216660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.216660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.216660 (E_RNA) where: Base-Base interactions energy: -795.404 where: short stacking energy: -305.609 Base-Backbone interact. energy: -2.021 local terms energy: -305.792001 where: bonds (distance) C4'-P energy: -57.764 bonds (distance) P-C4' energy: -57.098 flat angles C4'-P-C4' energy: -72.277 flat angles P-C4'-P energy: -37.543 tors. eta vs tors. theta energy: -81.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -1044.482103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.482103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.482103 (E_RNA) where: Base-Base interactions energy: -708.705 where: short stacking energy: -324.963 Base-Backbone interact. energy: -0.986 local terms energy: -334.790827 where: bonds (distance) C4'-P energy: -57.566 bonds (distance) P-C4' energy: -67.455 flat angles C4'-P-C4' energy: -69.111 flat angles P-C4'-P energy: -44.711 tors. eta vs tors. theta energy: -95.949 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: 5, replica: 3 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -956.513327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -956.513327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -956.513327 (E_RNA) where: Base-Base interactions energy: -662.007 where: short stacking energy: -277.318 Base-Backbone interact. energy: -0.135 local terms energy: -294.371875 where: bonds (distance) C4'-P energy: -51.401 bonds (distance) P-C4' energy: -58.960 flat angles C4'-P-C4' energy: -66.653 flat angles P-C4'-P energy: -49.699 tors. eta vs tors. theta energy: -67.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -850.674399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.674399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.674399 (E_RNA) where: Base-Base interactions energy: -564.254 where: short stacking energy: -239.594 Base-Backbone interact. energy: 0.187 local terms energy: -286.607903 where: bonds (distance) C4'-P energy: -44.394 bonds (distance) P-C4' energy: -67.052 flat angles C4'-P-C4' energy: -70.907 flat angles P-C4'-P energy: -36.269 tors. eta vs tors. theta energy: -67.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -685.459838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.459838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.459838 (E_RNA) where: Base-Base interactions energy: -438.855 where: short stacking energy: -206.417 Base-Backbone interact. energy: 1.742 local terms energy: -248.346124 where: bonds (distance) C4'-P energy: -57.405 bonds (distance) P-C4' energy: -57.234 flat angles C4'-P-C4' energy: -67.044 flat angles P-C4'-P energy: -23.522 tors. eta vs tors. theta energy: -43.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -783.981813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.981813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.981813 (E_RNA) where: Base-Base interactions energy: -524.973 where: short stacking energy: -226.194 Base-Backbone interact. energy: 1.074 local terms energy: -260.083122 where: bonds (distance) C4'-P energy: -53.711 bonds (distance) P-C4' energy: -64.272 flat angles C4'-P-C4' energy: -52.971 flat angles P-C4'-P energy: -41.645 tors. eta vs tors. theta energy: -47.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -595.913595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.913595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.913595 (E_RNA) where: Base-Base interactions energy: -358.165 where: short stacking energy: -141.167 Base-Backbone interact. energy: -1.655 local terms energy: -236.092862 where: bonds (distance) C4'-P energy: -62.906 bonds (distance) P-C4' energy: -58.035 flat angles C4'-P-C4' energy: -53.437 flat angles P-C4'-P energy: -33.988 tors. eta vs tors. theta energy: -27.727 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: 256 Temperature: 1.350000 Total energy: -266.546021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -266.546021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -266.546021 (E_RNA) where: Base-Base interactions energy: -92.476 where: short stacking energy: -90.011 Base-Backbone interact. energy: 1.075 local terms energy: -175.144764 where: bonds (distance) C4'-P energy: -54.410 bonds (distance) P-C4' energy: -61.988 flat angles C4'-P-C4' energy: -44.936 flat angles P-C4'-P energy: -21.154 tors. eta vs tors. theta energy: 7.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -1151.947512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.947512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.947512 (E_RNA) where: Base-Base interactions energy: -793.396 where: short stacking energy: -334.827 Base-Backbone interact. energy: -3.763 local terms energy: -354.787866 where: bonds (distance) C4'-P energy: -61.508 bonds (distance) P-C4' energy: -70.324 flat angles C4'-P-C4' energy: -76.959 flat angles P-C4'-P energy: -49.792 tors. eta vs tors. theta energy: -96.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -1191.197198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.197198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.197198 (E_RNA) where: Base-Base interactions energy: -842.747 where: short stacking energy: -334.449 Base-Backbone interact. energy: -3.991 local terms energy: -344.459238 where: bonds (distance) C4'-P energy: -59.859 bonds (distance) P-C4' energy: -64.659 flat angles C4'-P-C4' energy: -73.302 flat angles P-C4'-P energy: -51.787 tors. eta vs tors. theta energy: -94.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -1120.887035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.887035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.887035 (E_RNA) where: Base-Base interactions energy: -794.906 where: short stacking energy: -307.549 Base-Backbone interact. energy: -1.704 local terms energy: -324.276517 where: bonds (distance) C4'-P energy: -67.959 bonds (distance) P-C4' energy: -63.789 flat angles C4'-P-C4' energy: -70.384 flat angles P-C4'-P energy: -40.127 tors. eta vs tors. theta energy: -82.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -1051.247956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.247956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.247956 (E_RNA) where: Base-Base interactions energy: -710.247 where: short stacking energy: -324.169 Base-Backbone interact. energy: -0.981 local terms energy: -340.020450 where: bonds (distance) C4'-P energy: -55.104 bonds (distance) P-C4' energy: -64.471 flat angles C4'-P-C4' energy: -77.304 flat angles P-C4'-P energy: -47.080 tors. eta vs tors. theta energy: -96.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -958.316000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.316000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.316000 (E_RNA) where: Base-Base interactions energy: -665.291 where: short stacking energy: -296.854 Base-Backbone interact. energy: -2.089 local terms energy: -290.935493 where: bonds (distance) C4'-P energy: -47.824 bonds (distance) P-C4' energy: -54.900 flat angles C4'-P-C4' energy: -69.231 flat angles P-C4'-P energy: -36.885 tors. eta vs tors. theta energy: -82.096 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: 1 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -817.665521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -817.665521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -817.665521 (E_RNA) where: Base-Base interactions energy: -529.476 where: short stacking energy: -220.853 Base-Backbone interact. energy: -2.390 local terms energy: -285.799868 where: bonds (distance) C4'-P energy: -60.280 bonds (distance) P-C4' energy: -49.583 flat angles C4'-P-C4' energy: -67.874 flat angles P-C4'-P energy: -46.814 tors. eta vs tors. theta energy: -61.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -660.839885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.839885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.839885 (E_RNA) where: Base-Base interactions energy: -406.649 where: short stacking energy: -176.815 Base-Backbone interact. energy: -1.672 local terms energy: -252.518946 where: bonds (distance) C4'-P energy: -56.728 bonds (distance) P-C4' energy: -62.162 flat angles C4'-P-C4' energy: -50.433 flat angles P-C4'-P energy: -37.254 tors. eta vs tors. theta energy: -45.943 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: 5 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -755.673340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.673340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.673340 (E_RNA) where: Base-Base interactions energy: -484.320 where: short stacking energy: -214.639 Base-Backbone interact. energy: -1.748 local terms energy: -269.604586 where: bonds (distance) C4'-P energy: -61.655 bonds (distance) P-C4' energy: -63.765 flat angles C4'-P-C4' energy: -58.106 flat angles P-C4'-P energy: -45.232 tors. eta vs tors. theta energy: -40.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -609.963977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.963977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.963977 (E_RNA) where: Base-Base interactions energy: -401.377 where: short stacking energy: -177.910 Base-Backbone interact. energy: 0.045 local terms energy: -208.632271 where: bonds (distance) C4'-P energy: -55.537 bonds (distance) P-C4' energy: -49.480 flat angles C4'-P-C4' energy: -50.308 flat angles P-C4'-P energy: -31.762 tors. eta vs tors. theta energy: -21.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -286.742986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -286.742986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -286.742986 (E_RNA) where: Base-Base interactions energy: -95.985 where: short stacking energy: -76.843 Base-Backbone interact. energy: -0.346 local terms energy: -190.411910 where: bonds (distance) C4'-P energy: -60.462 bonds (distance) P-C4' energy: -47.934 flat angles C4'-P-C4' energy: -61.024 flat angles P-C4'-P energy: -29.113 tors. eta vs tors. theta energy: 8.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -1168.055546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.055546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.055546 (E_RNA) where: Base-Base interactions energy: -811.852 where: short stacking energy: -327.719 Base-Backbone interact. energy: -0.391 local terms energy: -355.812337 where: bonds (distance) C4'-P energy: -67.276 bonds (distance) P-C4' energy: -58.345 flat angles C4'-P-C4' energy: -75.828 flat angles P-C4'-P energy: -57.112 tors. eta vs tors. theta energy: -97.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -1112.506079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.506079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.506079 (E_RNA) where: Base-Base interactions energy: -774.728 where: short stacking energy: -332.780 Base-Backbone interact. energy: -0.945 local terms energy: -336.833253 where: bonds (distance) C4'-P energy: -60.019 bonds (distance) P-C4' energy: -69.269 flat angles C4'-P-C4' energy: -67.616 flat angles P-C4'-P energy: -48.974 tors. eta vs tors. theta energy: -90.955 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: 10 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -1121.657431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.657431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.657431 (E_RNA) where: Base-Base interactions energy: -785.521 where: short stacking energy: -324.306 Base-Backbone interact. energy: -3.437 local terms energy: -332.699148 where: bonds (distance) C4'-P energy: -57.943 bonds (distance) P-C4' energy: -67.863 flat angles C4'-P-C4' energy: -73.640 flat angles P-C4'-P energy: -49.796 tors. eta vs tors. theta energy: -83.457 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: 6 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -1034.893623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.893623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.893623 (E_RNA) where: Base-Base interactions energy: -694.100 where: short stacking energy: -319.620 Base-Backbone interact. energy: -2.521 local terms energy: -338.273092 where: bonds (distance) C4'-P energy: -71.957 bonds (distance) P-C4' energy: -59.357 flat angles C4'-P-C4' energy: -67.595 flat angles P-C4'-P energy: -46.342 tors. eta vs tors. theta energy: -93.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -952.565632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.565632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.565632 (E_RNA) where: Base-Base interactions energy: -649.001 where: short stacking energy: -263.645 Base-Backbone interact. energy: -2.147 local terms energy: -301.417303 where: bonds (distance) C4'-P energy: -56.472 bonds (distance) P-C4' energy: -65.404 flat angles C4'-P-C4' energy: -64.918 flat angles P-C4'-P energy: -43.070 tors. eta vs tors. theta energy: -71.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -766.649597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.649597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.649597 (E_RNA) where: Base-Base interactions energy: -507.335 where: short stacking energy: -218.622 Base-Backbone interact. energy: -2.148 local terms energy: -257.166587 where: bonds (distance) C4'-P energy: -55.458 bonds (distance) P-C4' energy: -52.549 flat angles C4'-P-C4' energy: -65.367 flat angles P-C4'-P energy: -38.841 tors. eta vs tors. theta energy: -44.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -778.450724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -778.450724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -778.450724 (E_RNA) where: Base-Base interactions energy: -509.080 where: short stacking energy: -233.546 Base-Backbone interact. energy: -0.260 local terms energy: -269.109864 where: bonds (distance) C4'-P energy: -50.008 bonds (distance) P-C4' energy: -47.085 flat angles C4'-P-C4' energy: -66.916 flat angles P-C4'-P energy: -39.825 tors. eta vs tors. theta energy: -65.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -655.127698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.127698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.127698 (E_RNA) where: Base-Base interactions energy: -399.225 where: short stacking energy: -184.919 Base-Backbone interact. energy: -2.157 local terms energy: -253.745813 where: bonds (distance) C4'-P energy: -54.412 bonds (distance) P-C4' energy: -59.376 flat angles C4'-P-C4' energy: -65.981 flat angles P-C4'-P energy: -38.668 tors. eta vs tors. theta energy: -35.310 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -606.146533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.146533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.146533 (E_RNA) where: Base-Base interactions energy: -372.162 where: short stacking energy: -177.352 Base-Backbone interact. energy: -1.572 local terms energy: -232.413091 where: bonds (distance) C4'-P energy: -55.218 bonds (distance) P-C4' energy: -56.493 flat angles C4'-P-C4' energy: -52.968 flat angles P-C4'-P energy: -37.993 tors. eta vs tors. theta energy: -29.741 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: 258 Temperature: 1.350000 Total energy: -282.878911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -282.878911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -282.878911 (E_RNA) where: Base-Base interactions energy: -89.822 where: short stacking energy: -79.204 Base-Backbone interact. energy: 0.197 local terms energy: -193.254024 where: bonds (distance) C4'-P energy: -58.513 bonds (distance) P-C4' energy: -68.500 flat angles C4'-P-C4' energy: -43.431 flat angles P-C4'-P energy: -30.000 tors. eta vs tors. theta energy: 7.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -1179.746407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.746407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.746407 (E_RNA) where: Base-Base interactions energy: -831.357 where: short stacking energy: -333.788 Base-Backbone interact. energy: 0.836 local terms energy: -349.224498 where: bonds (distance) C4'-P energy: -66.502 bonds (distance) P-C4' energy: -66.036 flat angles C4'-P-C4' energy: -73.501 flat angles P-C4'-P energy: -47.593 tors. eta vs tors. theta energy: -95.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -1147.348904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.348904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.348904 (E_RNA) where: Base-Base interactions energy: -815.623 where: short stacking energy: -326.227 Base-Backbone interact. energy: -1.712 local terms energy: -330.013329 where: bonds (distance) C4'-P energy: -64.102 bonds (distance) P-C4' energy: -53.132 flat angles C4'-P-C4' energy: -71.151 flat angles P-C4'-P energy: -48.870 tors. eta vs tors. theta energy: -92.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -1084.311243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.311243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.311243 (E_RNA) where: Base-Base interactions energy: -742.355 where: short stacking energy: -323.035 Base-Backbone interact. energy: -3.268 local terms energy: -338.688719 where: bonds (distance) C4'-P energy: -55.100 bonds (distance) P-C4' energy: -53.069 flat angles C4'-P-C4' energy: -76.820 flat angles P-C4'-P energy: -54.133 tors. eta vs tors. theta energy: -99.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -968.706917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.706917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.706917 (E_RNA) where: Base-Base interactions energy: -656.837 where: short stacking energy: -272.439 Base-Backbone interact. energy: -1.404 local terms energy: -310.465138 where: bonds (distance) C4'-P energy: -56.599 bonds (distance) P-C4' energy: -68.372 flat angles C4'-P-C4' energy: -71.884 flat angles P-C4'-P energy: -42.185 tors. eta vs tors. theta energy: -71.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -987.373757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.373757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.373757 (E_RNA) where: Base-Base interactions energy: -655.521 where: short stacking energy: -305.123 Base-Backbone interact. energy: -0.772 local terms energy: -331.081480 where: bonds (distance) C4'-P energy: -53.897 bonds (distance) P-C4' energy: -57.166 flat angles C4'-P-C4' energy: -67.475 flat angles P-C4'-P energy: -54.289 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: 6, replica: 5 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -789.699444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.699444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.699444 (E_RNA) where: Base-Base interactions energy: -515.836 where: short stacking energy: -215.250 Base-Backbone interact. energy: 5.366 local terms energy: -279.229348 where: bonds (distance) C4'-P energy: -58.219 bonds (distance) P-C4' energy: -63.983 flat angles C4'-P-C4' energy: -70.672 flat angles P-C4'-P energy: -44.111 tors. eta vs tors. theta energy: -42.244 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: 7, replica: 1 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -782.148715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.148715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.148715 (E_RNA) where: Base-Base interactions energy: -522.629 where: short stacking energy: -219.218 Base-Backbone interact. energy: -1.425 local terms energy: -258.094648 where: bonds (distance) C4'-P energy: -64.235 bonds (distance) P-C4' energy: -60.905 flat angles C4'-P-C4' energy: -47.386 flat angles P-C4'-P energy: -32.627 tors. eta vs tors. theta energy: -52.942 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: 7 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -642.665512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.665512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.665512 (E_RNA) where: Base-Base interactions energy: -367.638 where: short stacking energy: -166.880 Base-Backbone interact. energy: -1.804 local terms energy: -273.224158 where: bonds (distance) C4'-P energy: -68.508 bonds (distance) P-C4' energy: -67.673 flat angles C4'-P-C4' energy: -53.214 flat angles P-C4'-P energy: -49.346 tors. eta vs tors. theta energy: -34.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -606.961307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -606.961307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -606.961307 (E_RNA) where: Base-Base interactions energy: -395.802 where: short stacking energy: -190.564 Base-Backbone interact. energy: 3.467 local terms energy: -214.626609 where: bonds (distance) C4'-P energy: -48.748 bonds (distance) P-C4' energy: -57.189 flat angles C4'-P-C4' energy: -42.240 flat angles P-C4'-P energy: -34.870 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: 2 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -296.830873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.830873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.830873 (E_RNA) where: Base-Base interactions energy: -114.973 where: short stacking energy: -70.122 Base-Backbone interact. energy: -1.422 local terms energy: -180.435839 where: bonds (distance) C4'-P energy: -58.999 bonds (distance) P-C4' energy: -59.688 flat angles C4'-P-C4' energy: -44.207 flat angles P-C4'-P energy: -30.393 tors. eta vs tors. theta energy: 12.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -1189.064734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.064734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.064734 (E_RNA) where: Base-Base interactions energy: -833.096 where: short stacking energy: -341.304 Base-Backbone interact. energy: -1.457 local terms energy: -354.511834 where: bonds (distance) C4'-P energy: -59.987 bonds (distance) P-C4' energy: -73.003 flat angles C4'-P-C4' energy: -74.327 flat angles P-C4'-P energy: -51.519 tors. eta vs tors. theta energy: -95.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -1156.285706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.285706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.285706 (E_RNA) where: Base-Base interactions energy: -813.421 where: short stacking energy: -316.993 Base-Backbone interact. energy: -0.029 local terms energy: -342.835882 where: bonds (distance) C4'-P energy: -65.058 bonds (distance) P-C4' energy: -63.103 flat angles C4'-P-C4' energy: -76.294 flat angles P-C4'-P energy: -42.234 tors. eta vs tors. theta energy: -96.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -1076.627089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.627089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.627089 (E_RNA) where: Base-Base interactions energy: -763.787 where: short stacking energy: -325.397 Base-Backbone interact. energy: -0.960 local terms energy: -311.880297 where: bonds (distance) C4'-P energy: -52.205 bonds (distance) P-C4' energy: -64.254 flat angles C4'-P-C4' energy: -67.301 flat angles P-C4'-P energy: -41.285 tors. eta vs tors. theta energy: -86.835 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: 3 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -971.217635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.217635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.217635 (E_RNA) where: Base-Base interactions energy: -669.227 where: short stacking energy: -274.826 Base-Backbone interact. energy: 2.620 local terms energy: -304.610843 where: bonds (distance) C4'-P energy: -55.134 bonds (distance) P-C4' energy: -61.048 flat angles C4'-P-C4' energy: -70.050 flat angles P-C4'-P energy: -42.641 tors. eta vs tors. theta energy: -75.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -983.918963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.918963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.918963 (E_RNA) where: Base-Base interactions energy: -678.040 where: short stacking energy: -308.512 Base-Backbone interact. energy: -0.143 local terms energy: -305.736547 where: bonds (distance) C4'-P energy: -36.906 bonds (distance) P-C4' energy: -58.647 flat angles C4'-P-C4' energy: -69.140 flat angles P-C4'-P energy: -42.818 tors. eta vs tors. theta energy: -98.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -811.330160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.330160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.330160 (E_RNA) where: Base-Base interactions energy: -542.778 where: short stacking energy: -240.495 Base-Backbone interact. energy: -2.860 local terms energy: -265.692403 where: bonds (distance) C4'-P energy: -59.132 bonds (distance) P-C4' energy: -51.568 flat angles C4'-P-C4' energy: -60.094 flat angles P-C4'-P energy: -35.628 tors. eta vs tors. theta energy: -59.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -809.018625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -809.018625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -809.018625 (E_RNA) where: Base-Base interactions energy: -534.438 where: short stacking energy: -233.432 Base-Backbone interact. energy: -2.570 local terms energy: -272.011074 where: bonds (distance) C4'-P energy: -59.667 bonds (distance) P-C4' energy: -47.055 flat angles C4'-P-C4' energy: -61.999 flat angles P-C4'-P energy: -48.501 tors. eta vs tors. theta energy: -54.789 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: 7 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -620.731172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.731172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.731172 (E_RNA) where: Base-Base interactions energy: -389.268 where: short stacking energy: -168.098 Base-Backbone interact. energy: -3.438 local terms energy: -228.025892 where: bonds (distance) C4'-P energy: -54.543 bonds (distance) P-C4' energy: -57.949 flat angles C4'-P-C4' energy: -49.348 flat angles P-C4'-P energy: -43.609 tors. eta vs tors. theta energy: -22.577 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: 4 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -576.843960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.843960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.843960 (E_RNA) where: Base-Base interactions energy: -366.936 where: short stacking energy: -170.847 Base-Backbone interact. energy: -1.708 local terms energy: -208.199699 where: bonds (distance) C4'-P energy: -56.070 bonds (distance) P-C4' energy: -55.421 flat angles C4'-P-C4' energy: -38.622 flat angles P-C4'-P energy: -30.624 tors. eta vs tors. theta energy: -27.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -275.860248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -275.860248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -275.860248 (E_RNA) where: Base-Base interactions energy: -94.731 where: short stacking energy: -75.517 Base-Backbone interact. energy: 0.258 local terms energy: -181.387234 where: bonds (distance) C4'-P energy: -55.333 bonds (distance) P-C4' energy: -52.899 flat angles C4'-P-C4' energy: -43.975 flat angles P-C4'-P energy: -35.246 tors. eta vs tors. theta energy: 6.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -1179.753262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.753262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.753262 (E_RNA) where: Base-Base interactions energy: -821.264 where: short stacking energy: -350.018 Base-Backbone interact. energy: -2.670 local terms energy: -355.819136 where: bonds (distance) C4'-P energy: -61.910 bonds (distance) P-C4' energy: -68.936 flat angles C4'-P-C4' energy: -75.735 flat angles P-C4'-P energy: -50.864 tors. eta vs tors. theta energy: -98.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -1145.807601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.807601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.807601 (E_RNA) where: Base-Base interactions energy: -811.000 where: short stacking energy: -305.115 Base-Backbone interact. energy: -2.494 local terms energy: -332.312990 where: bonds (distance) C4'-P energy: -54.672 bonds (distance) P-C4' energy: -65.587 flat angles C4'-P-C4' energy: -74.051 flat angles P-C4'-P energy: -52.001 tors. eta vs tors. theta energy: -86.003 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: 8 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -1054.773971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.773971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.773971 (E_RNA) where: Base-Base interactions energy: -713.369 where: short stacking energy: -311.439 Base-Backbone interact. energy: 0.058 local terms energy: -341.463874 where: bonds (distance) C4'-P energy: -73.292 bonds (distance) P-C4' energy: -66.810 flat angles C4'-P-C4' energy: -66.792 flat angles P-C4'-P energy: -49.790 tors. eta vs tors. theta energy: -84.779 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: 6 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -1002.678574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.678574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.678574 (E_RNA) where: Base-Base interactions energy: -672.766 where: short stacking energy: -314.006 Base-Backbone interact. energy: -0.338 local terms energy: -329.574286 where: bonds (distance) C4'-P energy: -62.582 bonds (distance) P-C4' energy: -55.123 flat angles C4'-P-C4' energy: -69.217 flat angles P-C4'-P energy: -47.152 tors. eta vs tors. theta energy: -95.500 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: 3 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -935.385368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.385368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.385368 (E_RNA) where: Base-Base interactions energy: -617.537 where: short stacking energy: -241.720 Base-Backbone interact. energy: -0.357 local terms energy: -317.491355 where: bonds (distance) C4'-P energy: -62.959 bonds (distance) P-C4' energy: -66.627 flat angles C4'-P-C4' energy: -63.208 flat angles P-C4'-P energy: -54.344 tors. eta vs tors. theta energy: -70.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -864.483363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.483363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.483363 (E_RNA) where: Base-Base interactions energy: -565.425 where: short stacking energy: -233.884 Base-Backbone interact. energy: -1.995 local terms energy: -297.062983 where: bonds (distance) C4'-P energy: -62.616 bonds (distance) P-C4' energy: -66.241 flat angles C4'-P-C4' energy: -67.648 flat angles P-C4'-P energy: -43.793 tors. eta vs tors. theta energy: -56.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -766.227738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.227738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.227738 (E_RNA) where: Base-Base interactions energy: -504.965 where: short stacking energy: -209.312 Base-Backbone interact. energy: 0.916 local terms energy: -262.178642 where: bonds (distance) C4'-P energy: -60.151 bonds (distance) P-C4' energy: -55.988 flat angles C4'-P-C4' energy: -61.647 flat angles P-C4'-P energy: -42.235 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: 8, replica: 7 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -612.534151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.534151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.534151 (E_RNA) where: Base-Base interactions energy: -368.362 where: short stacking energy: -168.509 Base-Backbone interact. energy: -2.796 local terms energy: -241.376354 where: bonds (distance) C4'-P energy: -56.497 bonds (distance) P-C4' energy: -61.947 flat angles C4'-P-C4' energy: -48.219 flat angles P-C4'-P energy: -46.956 tors. eta vs tors. theta energy: -27.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -564.684509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.684509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.684509 (E_RNA) where: Base-Base interactions energy: -348.194 where: short stacking energy: -164.590 Base-Backbone interact. energy: -0.683 local terms energy: -215.807283 where: bonds (distance) C4'-P energy: -45.027 bonds (distance) P-C4' energy: -49.740 flat angles C4'-P-C4' energy: -53.687 flat angles P-C4'-P energy: -36.660 tors. eta vs tors. theta energy: -30.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -296.485341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -296.485341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -296.485341 (E_RNA) where: Base-Base interactions energy: -114.453 where: short stacking energy: -79.252 Base-Backbone interact. energy: 3.274 local terms energy: -185.306525 where: bonds (distance) C4'-P energy: -53.288 bonds (distance) P-C4' energy: -44.269 flat angles C4'-P-C4' energy: -53.551 flat angles P-C4'-P energy: -36.587 tors. eta vs tors. theta energy: 2.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -1174.487903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.487903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.487903 (E_RNA) where: Base-Base interactions energy: -821.261 where: short stacking energy: -341.225 Base-Backbone interact. energy: -2.682 local terms energy: -350.544441 where: bonds (distance) C4'-P energy: -59.975 bonds (distance) P-C4' energy: -69.722 flat angles C4'-P-C4' energy: -78.800 flat angles P-C4'-P energy: -42.177 tors. eta vs tors. theta energy: -99.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -1135.362721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.362721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.362721 (E_RNA) where: Base-Base interactions energy: -813.638 where: short stacking energy: -310.779 Base-Backbone interact. energy: 0.060 local terms energy: -321.784900 where: bonds (distance) C4'-P energy: -68.034 bonds (distance) P-C4' energy: -64.538 flat angles C4'-P-C4' energy: -61.119 flat angles P-C4'-P energy: -43.525 tors. eta vs tors. theta energy: -84.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -1069.794418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1069.794418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1069.794418 (E_RNA) where: Base-Base interactions energy: -745.638 where: short stacking energy: -329.145 Base-Backbone interact. energy: -2.650 local terms energy: -321.506592 where: bonds (distance) C4'-P energy: -47.088 bonds (distance) P-C4' energy: -60.901 flat angles C4'-P-C4' energy: -72.642 flat angles P-C4'-P energy: -49.755 tors. eta vs tors. theta energy: -91.122 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: 6 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -1033.397372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.397372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.397372 (E_RNA) where: Base-Base interactions energy: -702.226 where: short stacking energy: -318.939 Base-Backbone interact. energy: 0.783 local terms energy: -331.954067 where: bonds (distance) C4'-P energy: -53.247 bonds (distance) P-C4' energy: -68.442 flat angles C4'-P-C4' energy: -73.510 flat angles P-C4'-P energy: -42.655 tors. eta vs tors. theta energy: -94.100 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: 3 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -898.841516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.841516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.841516 (E_RNA) where: Base-Base interactions energy: -611.123 where: short stacking energy: -256.111 Base-Backbone interact. energy: -2.542 local terms energy: -285.176701 where: bonds (distance) C4'-P energy: -60.189 bonds (distance) P-C4' energy: -62.926 flat angles C4'-P-C4' energy: -53.800 flat angles P-C4'-P energy: -42.467 tors. eta vs tors. theta energy: -65.795 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: 1 ===================================== Write number: 262 Temperature: 1.150000 Total energy: -782.909925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -782.909925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -782.909925 (E_RNA) where: Base-Base interactions energy: -509.223 where: short stacking energy: -222.744 Base-Backbone interact. energy: -1.276 local terms energy: -272.410543 where: bonds (distance) C4'-P energy: -58.462 bonds (distance) P-C4' energy: -60.818 flat angles C4'-P-C4' energy: -64.400 flat angles P-C4'-P energy: -33.126 tors. eta vs tors. theta energy: -55.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -791.683218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.683218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.683218 (E_RNA) where: Base-Base interactions energy: -513.433 where: short stacking energy: -198.521 Base-Backbone interact. energy: -1.562 local terms energy: -276.688405 where: bonds (distance) C4'-P energy: -57.718 bonds (distance) P-C4' energy: -64.621 flat angles C4'-P-C4' energy: -66.244 flat angles P-C4'-P energy: -44.837 tors. eta vs tors. theta energy: -43.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -619.786396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.786396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.786396 (E_RNA) where: Base-Base interactions energy: -384.791 where: short stacking energy: -190.269 Base-Backbone interact. energy: 1.024 local terms energy: -236.019995 where: bonds (distance) C4'-P energy: -53.398 bonds (distance) P-C4' energy: -56.344 flat angles C4'-P-C4' energy: -66.881 flat angles P-C4'-P energy: -24.806 tors. eta vs tors. theta energy: -34.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -573.760597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.760597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.760597 (E_RNA) where: Base-Base interactions energy: -351.887 where: short stacking energy: -169.113 Base-Backbone interact. energy: 0.572 local terms energy: -222.445480 where: bonds (distance) C4'-P energy: -49.004 bonds (distance) P-C4' energy: -57.335 flat angles C4'-P-C4' energy: -48.465 flat angles P-C4'-P energy: -23.067 tors. eta vs tors. theta energy: -44.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -322.839030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.839030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.839030 (E_RNA) where: Base-Base interactions energy: -129.205 where: short stacking energy: -96.113 Base-Backbone interact. energy: -0.408 local terms energy: -193.225918 where: bonds (distance) C4'-P energy: -64.711 bonds (distance) P-C4' energy: -57.087 flat angles C4'-P-C4' energy: -46.945 flat angles P-C4'-P energy: -31.109 tors. eta vs tors. theta energy: 6.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -1190.978772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.978772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.978772 (E_RNA) where: Base-Base interactions energy: -827.044 where: short stacking energy: -333.386 Base-Backbone interact. energy: -3.104 local terms energy: -360.830966 where: bonds (distance) C4'-P energy: -64.924 bonds (distance) P-C4' energy: -72.908 flat angles C4'-P-C4' energy: -72.124 flat angles P-C4'-P energy: -48.441 tors. eta vs tors. theta energy: -102.434 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: 10 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -1150.505078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.505078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.505078 (E_RNA) where: Base-Base interactions energy: -812.556 where: short stacking energy: -329.692 Base-Backbone interact. energy: -2.904 local terms energy: -335.044679 where: bonds (distance) C4'-P energy: -60.045 bonds (distance) P-C4' energy: -58.338 flat angles C4'-P-C4' energy: -77.297 flat angles P-C4'-P energy: -45.773 tors. eta vs tors. theta energy: -93.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -1066.437786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.437786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.437786 (E_RNA) where: Base-Base interactions energy: -728.218 where: short stacking energy: -321.924 Base-Backbone interact. energy: -2.369 local terms energy: -335.850792 where: bonds (distance) C4'-P energy: -62.071 bonds (distance) P-C4' energy: -60.913 flat angles C4'-P-C4' energy: -75.921 flat angles P-C4'-P energy: -47.353 tors. eta vs tors. theta energy: -89.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -1031.124756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.124756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.124756 (E_RNA) where: Base-Base interactions energy: -686.638 where: short stacking energy: -303.181 Base-Backbone interact. energy: -0.303 local terms energy: -344.183952 where: bonds (distance) C4'-P energy: -55.526 bonds (distance) P-C4' energy: -63.949 flat angles C4'-P-C4' energy: -74.684 flat angles P-C4'-P energy: -51.328 tors. eta vs tors. theta energy: -98.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -911.821399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.821399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.821399 (E_RNA) where: Base-Base interactions energy: -630.434 where: short stacking energy: -247.998 Base-Backbone interact. energy: -0.921 local terms energy: -280.466175 where: bonds (distance) C4'-P energy: -51.934 bonds (distance) P-C4' energy: -67.046 flat angles C4'-P-C4' energy: -57.791 flat angles P-C4'-P energy: -42.548 tors. eta vs tors. theta energy: -61.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -822.072709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.072709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.072709 (E_RNA) where: Base-Base interactions energy: -554.061 where: short stacking energy: -239.367 Base-Backbone interact. energy: 0.286 local terms energy: -268.297021 where: bonds (distance) C4'-P energy: -60.497 bonds (distance) P-C4' energy: -58.016 flat angles C4'-P-C4' energy: -56.407 flat angles P-C4'-P energy: -36.932 tors. eta vs tors. theta energy: -56.445 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: 263 Temperature: 1.200000 Total energy: -826.560626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.560626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.560626 (E_RNA) where: Base-Base interactions energy: -546.273 where: short stacking energy: -232.308 Base-Backbone interact. energy: -0.787 local terms energy: -279.500374 where: bonds (distance) C4'-P energy: -64.358 bonds (distance) P-C4' energy: -55.434 flat angles C4'-P-C4' energy: -67.311 flat angles P-C4'-P energy: -44.949 tors. eta vs tors. theta energy: -47.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -600.343494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.343494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.343494 (E_RNA) where: Base-Base interactions energy: -382.748 where: short stacking energy: -177.607 Base-Backbone interact. energy: 3.156 local terms energy: -220.752050 where: bonds (distance) C4'-P energy: -53.266 bonds (distance) P-C4' energy: -48.384 flat angles C4'-P-C4' energy: -54.002 flat angles P-C4'-P energy: -34.107 tors. eta vs tors. theta energy: -30.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -584.473070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -584.473070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -584.473070 (E_RNA) where: Base-Base interactions energy: -362.035 where: short stacking energy: -166.087 Base-Backbone interact. energy: -1.255 local terms energy: -221.183134 where: bonds (distance) C4'-P energy: -50.050 bonds (distance) P-C4' energy: -51.520 flat angles C4'-P-C4' energy: -60.973 flat angles P-C4'-P energy: -30.110 tors. eta vs tors. theta energy: -28.530 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: 10, replica: 2 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -340.092310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -340.092310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -340.092310 (E_RNA) where: Base-Base interactions energy: -171.515 where: short stacking energy: -104.762 Base-Backbone interact. energy: 2.975 local terms energy: -171.552467 where: bonds (distance) C4'-P energy: -48.546 bonds (distance) P-C4' energy: -65.514 flat angles C4'-P-C4' energy: -36.068 flat angles P-C4'-P energy: -26.040 tors. eta vs tors. theta energy: 4.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -1177.363881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.363881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.363881 (E_RNA) where: Base-Base interactions energy: -833.091 where: short stacking energy: -332.542 Base-Backbone interact. energy: -4.851 local terms energy: -339.421983 where: bonds (distance) C4'-P energy: -58.933 bonds (distance) P-C4' energy: -71.884 flat angles C4'-P-C4' energy: -69.983 flat angles P-C4'-P energy: -38.473 tors. eta vs tors. theta energy: -100.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -1129.803566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.803566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.803566 (E_RNA) where: Base-Base interactions energy: -804.681 where: short stacking energy: -322.265 Base-Backbone interact. energy: -1.122 local terms energy: -324.001241 where: bonds (distance) C4'-P energy: -56.428 bonds (distance) P-C4' energy: -64.750 flat angles C4'-P-C4' energy: -69.671 flat angles P-C4'-P energy: -41.045 tors. eta vs tors. theta energy: -92.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -1041.354420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.354420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.354420 (E_RNA) where: Base-Base interactions energy: -715.677 where: short stacking energy: -306.754 Base-Backbone interact. energy: -3.909 local terms energy: -321.768347 where: bonds (distance) C4'-P energy: -48.027 bonds (distance) P-C4' energy: -62.934 flat angles C4'-P-C4' energy: -67.290 flat angles P-C4'-P energy: -55.599 tors. eta vs tors. theta energy: -87.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -1007.332926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.332926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.332926 (E_RNA) where: Base-Base interactions energy: -699.321 where: short stacking energy: -307.687 Base-Backbone interact. energy: -0.742 local terms energy: -307.269653 where: bonds (distance) C4'-P energy: -50.765 bonds (distance) P-C4' energy: -60.034 flat angles C4'-P-C4' energy: -70.437 flat angles P-C4'-P energy: -42.635 tors. eta vs tors. theta energy: -83.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -926.642877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.642877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.642877 (E_RNA) where: Base-Base interactions energy: -636.299 where: short stacking energy: -250.079 Base-Backbone interact. energy: -1.410 local terms energy: -288.933435 where: bonds (distance) C4'-P energy: -59.989 bonds (distance) P-C4' energy: -67.326 flat angles C4'-P-C4' energy: -65.999 flat angles P-C4'-P energy: -42.106 tors. eta vs tors. theta energy: -53.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -835.227108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.227108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.227108 (E_RNA) where: Base-Base interactions energy: -547.254 where: short stacking energy: -237.951 Base-Backbone interact. energy: -3.421 local terms energy: -284.551669 where: bonds (distance) C4'-P energy: -46.019 bonds (distance) P-C4' energy: -65.741 flat angles C4'-P-C4' energy: -59.853 flat angles P-C4'-P energy: -47.601 tors. eta vs tors. theta energy: -65.338 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: 1 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -807.533072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -807.533072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -807.533072 (E_RNA) where: Base-Base interactions energy: -539.466 where: short stacking energy: -232.201 Base-Backbone interact. energy: -1.050 local terms energy: -267.016864 where: bonds (distance) C4'-P energy: -52.383 bonds (distance) P-C4' energy: -57.482 flat angles C4'-P-C4' energy: -58.687 flat angles P-C4'-P energy: -40.493 tors. eta vs tors. theta energy: -57.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -633.559238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.559238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.559238 (E_RNA) where: Base-Base interactions energy: -404.306 where: short stacking energy: -181.551 Base-Backbone interact. energy: -1.221 local terms energy: -228.031809 where: bonds (distance) C4'-P energy: -54.778 bonds (distance) P-C4' energy: -43.600 flat angles C4'-P-C4' energy: -50.936 flat angles P-C4'-P energy: -38.125 tors. eta vs tors. theta energy: -40.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -542.130364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.130364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.130364 (E_RNA) where: Base-Base interactions energy: -321.380 where: short stacking energy: -157.732 Base-Backbone interact. energy: 0.769 local terms energy: -221.518952 where: bonds (distance) C4'-P energy: -49.506 bonds (distance) P-C4' energy: -61.583 flat angles C4'-P-C4' energy: -53.727 flat angles P-C4'-P energy: -35.007 tors. eta vs tors. theta energy: -21.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -343.562248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -343.562248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -343.562248 (E_RNA) where: Base-Base interactions energy: -175.338 where: short stacking energy: -101.293 Base-Backbone interact. energy: -1.597 local terms energy: -166.627731 where: bonds (distance) C4'-P energy: -50.217 bonds (distance) P-C4' energy: -44.721 flat angles C4'-P-C4' energy: -40.382 flat angles P-C4'-P energy: -26.490 tors. eta vs tors. theta energy: -4.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -1185.140257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.140257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.140257 (E_RNA) where: Base-Base interactions energy: -835.553 where: short stacking energy: -323.911 Base-Backbone interact. energy: -4.469 local terms energy: -345.118524 where: bonds (distance) C4'-P energy: -66.656 bonds (distance) P-C4' energy: -66.934 flat angles C4'-P-C4' energy: -73.896 flat angles P-C4'-P energy: -45.002 tors. eta vs tors. theta energy: -92.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -1155.481903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.481903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.481903 (E_RNA) where: Base-Base interactions energy: -800.617 where: short stacking energy: -323.870 Base-Backbone interact. energy: -0.775 local terms energy: -354.090488 where: bonds (distance) C4'-P energy: -63.077 bonds (distance) P-C4' energy: -67.901 flat angles C4'-P-C4' energy: -76.220 flat angles P-C4'-P energy: -49.139 tors. eta vs tors. theta energy: -97.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -1062.459635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.459635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.459635 (E_RNA) where: Base-Base interactions energy: -727.354 where: short stacking energy: -305.092 Base-Backbone interact. energy: -3.028 local terms energy: -332.078454 where: bonds (distance) C4'-P energy: -57.417 bonds (distance) P-C4' energy: -61.226 flat angles C4'-P-C4' energy: -68.652 flat angles P-C4'-P energy: -54.242 tors. eta vs tors. theta energy: -90.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -1006.465493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.465493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.465493 (E_RNA) where: Base-Base interactions energy: -668.041 where: short stacking energy: -292.983 Base-Backbone interact. energy: -0.638 local terms energy: -337.786381 where: bonds (distance) C4'-P energy: -70.286 bonds (distance) P-C4' energy: -63.903 flat angles C4'-P-C4' energy: -65.717 flat angles P-C4'-P energy: -45.073 tors. eta vs tors. theta energy: -92.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -951.737455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -951.737455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -951.737455 (E_RNA) where: Base-Base interactions energy: -647.755 where: short stacking energy: -274.455 Base-Backbone interact. energy: 1.530 local terms energy: -305.512139 where: bonds (distance) C4'-P energy: -54.067 bonds (distance) P-C4' energy: -69.562 flat angles C4'-P-C4' energy: -66.025 flat angles P-C4'-P energy: -38.981 tors. eta vs tors. theta energy: -76.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -857.611760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.611760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.611760 (E_RNA) where: Base-Base interactions energy: -573.984 where: short stacking energy: -232.508 Base-Backbone interact. energy: -1.904 local terms energy: -281.724513 where: bonds (distance) C4'-P energy: -58.731 bonds (distance) P-C4' energy: -61.231 flat angles C4'-P-C4' energy: -64.584 flat angles P-C4'-P energy: -36.466 tors. eta vs tors. theta energy: -60.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 265 Temperature: 1.200000 Total energy: -828.235361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.235361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.235361 (E_RNA) where: Base-Base interactions energy: -583.760 where: short stacking energy: -230.447 Base-Backbone interact. energy: -0.034 local terms energy: -244.441217 where: bonds (distance) C4'-P energy: -55.963 bonds (distance) P-C4' energy: -53.458 flat angles C4'-P-C4' energy: -51.989 flat angles P-C4'-P energy: -37.019 tors. eta vs tors. theta energy: -46.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -673.707557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.707557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.707557 (E_RNA) where: Base-Base interactions energy: -417.900 where: short stacking energy: -203.510 Base-Backbone interact. energy: -0.633 local terms energy: -255.174433 where: bonds (distance) C4'-P energy: -58.601 bonds (distance) P-C4' energy: -54.456 flat angles C4'-P-C4' energy: -59.012 flat angles P-C4'-P energy: -36.271 tors. eta vs tors. theta energy: -46.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -509.638703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -509.638703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -509.638703 (E_RNA) where: Base-Base interactions energy: -303.800 where: short stacking energy: -138.223 Base-Backbone interact. energy: 1.030 local terms energy: -206.868147 where: bonds (distance) C4'-P energy: -52.528 bonds (distance) P-C4' energy: -50.000 flat angles C4'-P-C4' energy: -55.501 flat angles P-C4'-P energy: -33.960 tors. eta vs tors. theta energy: -14.879 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: 2 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -369.591279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -369.591279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -369.591279 (E_RNA) where: Base-Base interactions energy: -183.156 where: short stacking energy: -89.765 Base-Backbone interact. energy: -2.271 local terms energy: -184.164572 where: bonds (distance) C4'-P energy: -49.647 bonds (distance) P-C4' energy: -66.758 flat angles C4'-P-C4' energy: -46.779 flat angles P-C4'-P energy: -25.271 tors. eta vs tors. theta energy: 4.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -1181.202660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.202660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.202660 (E_RNA) where: Base-Base interactions energy: -831.450 where: short stacking energy: -339.672 Base-Backbone interact. energy: -1.139 local terms energy: -348.613855 where: bonds (distance) C4'-P energy: -65.502 bonds (distance) P-C4' energy: -63.381 flat angles C4'-P-C4' energy: -77.300 flat angles P-C4'-P energy: -47.334 tors. eta vs tors. theta energy: -95.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -1143.160937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.160937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.160937 (E_RNA) where: Base-Base interactions energy: -806.598 where: short stacking energy: -322.269 Base-Backbone interact. energy: -3.719 local terms energy: -332.844414 where: bonds (distance) C4'-P energy: -62.569 bonds (distance) P-C4' energy: -65.394 flat angles C4'-P-C4' energy: -70.519 flat angles P-C4'-P energy: -41.798 tors. eta vs tors. theta energy: -92.564 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -1052.044746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.044746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.044746 (E_RNA) where: Base-Base interactions energy: -730.793 where: short stacking energy: -302.687 Base-Backbone interact. energy: 0.036 local terms energy: -321.287562 where: bonds (distance) C4'-P energy: -60.424 bonds (distance) P-C4' energy: -60.519 flat angles C4'-P-C4' energy: -70.856 flat angles P-C4'-P energy: -42.073 tors. eta vs tors. theta energy: -87.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -999.607268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.607268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.607268 (E_RNA) where: Base-Base interactions energy: -679.717 where: short stacking energy: -299.486 Base-Backbone interact. energy: -0.489 local terms energy: -319.401771 where: bonds (distance) C4'-P energy: -61.505 bonds (distance) P-C4' energy: -49.390 flat angles C4'-P-C4' energy: -67.319 flat angles P-C4'-P energy: -42.623 tors. eta vs tors. theta energy: -98.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -937.071189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.071189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.071189 (E_RNA) where: Base-Base interactions energy: -626.160 where: short stacking energy: -277.300 Base-Backbone interact. energy: 0.603 local terms energy: -311.514193 where: bonds (distance) C4'-P energy: -64.955 bonds (distance) P-C4' energy: -66.093 flat angles C4'-P-C4' energy: -61.212 flat angles P-C4'-P energy: -41.749 tors. eta vs tors. theta energy: -77.504 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: 1 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -884.253837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.253837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.253837 (E_RNA) where: Base-Base interactions energy: -587.230 where: short stacking energy: -249.144 Base-Backbone interact. energy: -2.220 local terms energy: -294.803839 where: bonds (distance) C4'-P energy: -51.404 bonds (distance) P-C4' energy: -59.631 flat angles C4'-P-C4' energy: -69.786 flat angles P-C4'-P energy: -44.389 tors. eta vs tors. theta energy: -69.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -795.332211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.332211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.332211 (E_RNA) where: Base-Base interactions energy: -542.107 where: short stacking energy: -230.039 Base-Backbone interact. energy: -0.920 local terms energy: -252.305162 where: bonds (distance) C4'-P energy: -47.818 bonds (distance) P-C4' energy: -52.220 flat angles C4'-P-C4' energy: -59.184 flat angles P-C4'-P energy: -38.333 tors. eta vs tors. theta energy: -54.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -661.808581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.808581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.808581 (E_RNA) where: Base-Base interactions energy: -410.516 where: short stacking energy: -186.211 Base-Backbone interact. energy: -1.323 local terms energy: -249.970179 where: bonds (distance) C4'-P energy: -49.343 bonds (distance) P-C4' energy: -68.130 flat angles C4'-P-C4' energy: -57.595 flat angles P-C4'-P energy: -32.187 tors. eta vs tors. theta energy: -42.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -518.975013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.975013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.975013 (E_RNA) where: Base-Base interactions energy: -307.722 where: short stacking energy: -151.511 Base-Backbone interact. energy: 0.148 local terms energy: -211.401300 where: bonds (distance) C4'-P energy: -57.267 bonds (distance) P-C4' energy: -58.280 flat angles C4'-P-C4' energy: -47.130 flat angles P-C4'-P energy: -39.804 tors. eta vs tors. theta energy: -8.921 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: 10, replica: 2 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -327.901948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -327.901948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -327.901948 (E_RNA) where: Base-Base interactions energy: -134.483 where: short stacking energy: -87.046 Base-Backbone interact. energy: -0.507 local terms energy: -192.912276 where: bonds (distance) C4'-P energy: -58.142 bonds (distance) P-C4' energy: -58.117 flat angles C4'-P-C4' energy: -38.715 flat angles P-C4'-P energy: -31.661 tors. eta vs tors. theta energy: -6.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -1182.653900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.653900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.653900 (E_RNA) where: Base-Base interactions energy: -821.758 where: short stacking energy: -333.851 Base-Backbone interact. energy: -0.592 local terms energy: -360.303918 where: bonds (distance) C4'-P energy: -62.901 bonds (distance) P-C4' energy: -68.389 flat angles C4'-P-C4' energy: -72.462 flat angles P-C4'-P energy: -55.022 tors. eta vs tors. theta energy: -101.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -1149.239987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.239987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.239987 (E_RNA) where: Base-Base interactions energy: -796.527 where: short stacking energy: -331.851 Base-Backbone interact. energy: -0.642 local terms energy: -352.070231 where: bonds (distance) C4'-P energy: -64.003 bonds (distance) P-C4' energy: -64.483 flat angles C4'-P-C4' energy: -78.779 flat angles P-C4'-P energy: -48.124 tors. eta vs tors. theta energy: -96.681 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: 267 Temperature: 1.000000 Total energy: -1049.707324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.707324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.707324 (E_RNA) where: Base-Base interactions energy: -727.430 where: short stacking energy: -296.090 Base-Backbone interact. energy: -1.217 local terms energy: -321.060206 where: bonds (distance) C4'-P energy: -59.394 bonds (distance) P-C4' energy: -49.441 flat angles C4'-P-C4' energy: -75.853 flat angles P-C4'-P energy: -44.443 tors. eta vs tors. theta energy: -91.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -1016.929901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.929901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.929901 (E_RNA) where: Base-Base interactions energy: -704.047 where: short stacking energy: -318.328 Base-Backbone interact. energy: -0.551 local terms energy: -312.332029 where: bonds (distance) C4'-P energy: -51.179 bonds (distance) P-C4' energy: -58.161 flat angles C4'-P-C4' energy: -66.047 flat angles P-C4'-P energy: -43.128 tors. eta vs tors. theta energy: -93.816 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: 267 Temperature: 1.100000 Total energy: -934.951659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.951659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.951659 (E_RNA) where: Base-Base interactions energy: -630.489 where: short stacking energy: -274.496 Base-Backbone interact. energy: -1.694 local terms energy: -302.768517 where: bonds (distance) C4'-P energy: -65.254 bonds (distance) P-C4' energy: -58.482 flat angles C4'-P-C4' energy: -59.863 flat angles P-C4'-P energy: -42.433 tors. eta vs tors. theta energy: -76.736 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: 6, replica: 1 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -859.002431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -859.002431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -859.002431 (E_RNA) where: Base-Base interactions energy: -565.001 where: short stacking energy: -241.075 Base-Backbone interact. energy: -2.194 local terms energy: -291.806926 where: bonds (distance) C4'-P energy: -60.339 bonds (distance) P-C4' energy: -68.854 flat angles C4'-P-C4' energy: -57.185 flat angles P-C4'-P energy: -45.546 tors. eta vs tors. theta energy: -59.883 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: 5 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -796.619242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.619242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.619242 (E_RNA) where: Base-Base interactions energy: -509.689 where: short stacking energy: -231.136 Base-Backbone interact. energy: 0.840 local terms energy: -287.770095 where: bonds (distance) C4'-P energy: -61.642 bonds (distance) P-C4' energy: -57.498 flat angles C4'-P-C4' energy: -62.911 flat angles P-C4'-P energy: -49.351 tors. eta vs tors. theta energy: -56.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -655.819374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.819374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.819374 (E_RNA) where: Base-Base interactions energy: -411.622 where: short stacking energy: -205.567 Base-Backbone interact. energy: -0.526 local terms energy: -243.672094 where: bonds (distance) C4'-P energy: -37.487 bonds (distance) P-C4' energy: -53.572 flat angles C4'-P-C4' energy: -71.418 flat angles P-C4'-P energy: -37.993 tors. eta vs tors. theta energy: -43.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -540.097683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.097683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.097683 (E_RNA) where: Base-Base interactions energy: -328.712 where: short stacking energy: -140.546 Base-Backbone interact. energy: -0.214 local terms energy: -211.171579 where: bonds (distance) C4'-P energy: -63.282 bonds (distance) P-C4' energy: -50.172 flat angles C4'-P-C4' energy: -47.407 flat angles P-C4'-P energy: -32.728 tors. eta vs tors. theta energy: -17.582 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: 267 Temperature: 1.350000 Total energy: -322.603500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -322.603500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -322.603500 (E_RNA) where: Base-Base interactions energy: -148.054 where: short stacking energy: -80.517 Base-Backbone interact. energy: -0.122 local terms energy: -174.427562 where: bonds (distance) C4'-P energy: -54.863 bonds (distance) P-C4' energy: -58.185 flat angles C4'-P-C4' energy: -46.780 flat angles P-C4'-P energy: -25.016 tors. eta vs tors. theta energy: 10.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -1194.722501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.722501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.722501 (E_RNA) where: Base-Base interactions energy: -830.719 where: short stacking energy: -347.132 Base-Backbone interact. energy: -4.779 local terms energy: -359.224394 where: bonds (distance) C4'-P energy: -63.837 bonds (distance) P-C4' energy: -64.169 flat angles C4'-P-C4' energy: -78.755 flat angles P-C4'-P energy: -52.064 tors. eta vs tors. theta energy: -100.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -1151.252001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.252001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.252001 (E_RNA) where: Base-Base interactions energy: -804.398 where: short stacking energy: -328.189 Base-Backbone interact. energy: 0.031 local terms energy: -346.884469 where: bonds (distance) C4'-P energy: -71.769 bonds (distance) P-C4' energy: -63.443 flat angles C4'-P-C4' energy: -64.114 flat angles P-C4'-P energy: -49.449 tors. eta vs tors. theta energy: -98.109 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: 8 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -1051.181890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1051.181890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1051.181890 (E_RNA) where: Base-Base interactions energy: -709.947 where: short stacking energy: -298.045 Base-Backbone interact. energy: -0.901 local terms energy: -340.332931 where: bonds (distance) C4'-P energy: -63.267 bonds (distance) P-C4' energy: -70.258 flat angles C4'-P-C4' energy: -67.704 flat angles P-C4'-P energy: -48.753 tors. eta vs tors. theta energy: -90.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -1012.034175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.034175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.034175 (E_RNA) where: Base-Base interactions energy: -689.769 where: short stacking energy: -302.753 Base-Backbone interact. energy: -0.242 local terms energy: -322.023218 where: bonds (distance) C4'-P energy: -57.591 bonds (distance) P-C4' energy: -64.165 flat angles C4'-P-C4' energy: -72.080 flat angles P-C4'-P energy: -43.861 tors. eta vs tors. theta energy: -84.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -927.798928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.798928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.798928 (E_RNA) where: Base-Base interactions energy: -613.677 where: short stacking energy: -267.928 Base-Backbone interact. energy: -0.449 local terms energy: -313.673398 where: bonds (distance) C4'-P energy: -66.285 bonds (distance) P-C4' energy: -61.199 flat angles C4'-P-C4' energy: -64.040 flat angles P-C4'-P energy: -47.139 tors. eta vs tors. theta energy: -75.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -839.126027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.126027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.126027 (E_RNA) where: Base-Base interactions energy: -558.885 where: short stacking energy: -223.443 Base-Backbone interact. energy: 0.169 local terms energy: -280.410290 where: bonds (distance) C4'-P energy: -63.925 bonds (distance) P-C4' energy: -50.448 flat angles C4'-P-C4' energy: -68.031 flat angles P-C4'-P energy: -27.051 tors. eta vs tors. theta energy: -70.955 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: 5 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -775.722716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -775.722716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -775.722716 (E_RNA) where: Base-Base interactions energy: -518.533 where: short stacking energy: -222.256 Base-Backbone interact. energy: -2.301 local terms energy: -254.888545 where: bonds (distance) C4'-P energy: -61.393 bonds (distance) P-C4' energy: -58.630 flat angles C4'-P-C4' energy: -56.929 flat angles P-C4'-P energy: -32.027 tors. eta vs tors. theta energy: -45.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -685.252399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.252399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.252399 (E_RNA) where: Base-Base interactions energy: -457.109 where: short stacking energy: -183.778 Base-Backbone interact. energy: 0.702 local terms energy: -228.844564 where: bonds (distance) C4'-P energy: -46.712 bonds (distance) P-C4' energy: -65.923 flat angles C4'-P-C4' energy: -54.617 flat angles P-C4'-P energy: -28.751 tors. eta vs tors. theta energy: -32.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -553.384850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.384850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.384850 (E_RNA) where: Base-Base interactions energy: -329.958 where: short stacking energy: -145.040 Base-Backbone interact. energy: -1.341 local terms energy: -222.086093 where: bonds (distance) C4'-P energy: -46.932 bonds (distance) P-C4' energy: -60.009 flat angles C4'-P-C4' energy: -50.897 flat angles P-C4'-P energy: -30.915 tors. eta vs tors. theta energy: -33.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -377.837214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -377.837214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -377.837214 (E_RNA) where: Base-Base interactions energy: -189.079 where: short stacking energy: -88.177 Base-Backbone interact. energy: -1.846 local terms energy: -186.912042 where: bonds (distance) C4'-P energy: -57.303 bonds (distance) P-C4' energy: -66.228 flat angles C4'-P-C4' energy: -47.235 flat angles P-C4'-P energy: -18.950 tors. eta vs tors. theta energy: 2.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -1172.672804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.672804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.672804 (E_RNA) where: Base-Base interactions energy: -816.891 where: short stacking energy: -327.642 Base-Backbone interact. energy: 0.047 local terms energy: -355.829285 where: bonds (distance) C4'-P energy: -64.616 bonds (distance) P-C4' energy: -68.574 flat angles C4'-P-C4' energy: -80.026 flat angles P-C4'-P energy: -36.187 tors. eta vs tors. theta energy: -106.426 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: 9 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -1168.407002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.407002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.407002 (E_RNA) where: Base-Base interactions energy: -819.684 where: short stacking energy: -332.650 Base-Backbone interact. energy: -3.636 local terms energy: -345.087070 where: bonds (distance) C4'-P energy: -56.631 bonds (distance) P-C4' energy: -63.874 flat angles C4'-P-C4' energy: -77.312 flat angles P-C4'-P energy: -47.248 tors. eta vs tors. theta energy: -100.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -1074.779115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.779115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.779115 (E_RNA) where: Base-Base interactions energy: -728.945 where: short stacking energy: -309.096 Base-Backbone interact. energy: -0.891 local terms energy: -344.943716 where: bonds (distance) C4'-P energy: -66.988 bonds (distance) P-C4' energy: -65.283 flat angles C4'-P-C4' energy: -67.791 flat angles P-C4'-P energy: -49.232 tors. eta vs tors. theta energy: -95.651 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: 6 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -1016.912733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.912733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.912733 (E_RNA) where: Base-Base interactions energy: -689.067 where: short stacking energy: -301.071 Base-Backbone interact. energy: -0.568 local terms energy: -327.278340 where: bonds (distance) C4'-P energy: -53.960 bonds (distance) P-C4' energy: -58.645 flat angles C4'-P-C4' energy: -73.896 flat angles P-C4'-P energy: -46.306 tors. eta vs tors. theta energy: -94.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -898.747535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.747535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.747535 (E_RNA) where: Base-Base interactions energy: -622.254 where: short stacking energy: -258.373 Base-Backbone interact. energy: -2.969 local terms energy: -273.524709 where: bonds (distance) C4'-P energy: -38.528 bonds (distance) P-C4' energy: -59.377 flat angles C4'-P-C4' energy: -69.827 flat angles P-C4'-P energy: -45.128 tors. eta vs tors. theta energy: -60.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -862.466995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -862.466995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -862.466995 (E_RNA) where: Base-Base interactions energy: -564.310 where: short stacking energy: -239.132 Base-Backbone interact. energy: -1.010 local terms energy: -297.147334 where: bonds (distance) C4'-P energy: -52.162 bonds (distance) P-C4' energy: -69.629 flat angles C4'-P-C4' energy: -62.915 flat angles P-C4'-P energy: -44.112 tors. eta vs tors. theta energy: -68.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -796.170046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -796.170046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -796.170046 (E_RNA) where: Base-Base interactions energy: -527.223 where: short stacking energy: -224.565 Base-Backbone interact. energy: -1.142 local terms energy: -267.805693 where: bonds (distance) C4'-P energy: -63.039 bonds (distance) P-C4' energy: -55.148 flat angles C4'-P-C4' energy: -66.831 flat angles P-C4'-P energy: -32.920 tors. eta vs tors. theta energy: -49.868 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: 7 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -670.156581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.156581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.156581 (E_RNA) where: Base-Base interactions energy: -448.078 where: short stacking energy: -183.682 Base-Backbone interact. energy: 0.033 local terms energy: -222.111210 where: bonds (distance) C4'-P energy: -54.060 bonds (distance) P-C4' energy: -43.239 flat angles C4'-P-C4' energy: -53.630 flat angles P-C4'-P energy: -41.479 tors. eta vs tors. theta energy: -29.703 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: 9, replica: 4 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -543.482029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.482029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.482029 (E_RNA) where: Base-Base interactions energy: -354.969 where: short stacking energy: -145.444 Base-Backbone interact. energy: -0.770 local terms energy: -187.742440 where: bonds (distance) C4'-P energy: -42.603 bonds (distance) P-C4' energy: -31.943 flat angles C4'-P-C4' energy: -57.522 flat angles P-C4'-P energy: -38.535 tors. eta vs tors. theta energy: -17.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -359.506485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -359.506485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -359.506485 (E_RNA) where: Base-Base interactions energy: -164.591 where: short stacking energy: -86.473 Base-Backbone interact. energy: -0.552 local terms energy: -194.363572 where: bonds (distance) C4'-P energy: -64.634 bonds (distance) P-C4' energy: -58.975 flat angles C4'-P-C4' energy: -45.924 flat angles P-C4'-P energy: -29.396 tors. eta vs tors. theta energy: 4.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -1177.569629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.569629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.569629 (E_RNA) where: Base-Base interactions energy: -824.549 where: short stacking energy: -333.718 Base-Backbone interact. energy: -3.456 local terms energy: -349.565166 where: bonds (distance) C4'-P energy: -60.717 bonds (distance) P-C4' energy: -67.370 flat angles C4'-P-C4' energy: -75.503 flat angles P-C4'-P energy: -45.993 tors. eta vs tors. theta energy: -99.983 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: 9 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -1156.339357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.339357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.339357 (E_RNA) where: Base-Base interactions energy: -807.933 where: short stacking energy: -308.290 Base-Backbone interact. energy: -0.746 local terms energy: -347.659812 where: bonds (distance) C4'-P energy: -67.341 bonds (distance) P-C4' energy: -68.949 flat angles C4'-P-C4' energy: -72.524 flat angles P-C4'-P energy: -39.949 tors. eta vs tors. theta energy: -98.897 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: 8 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -1046.845306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.845306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.845306 (E_RNA) where: Base-Base interactions energy: -724.715 where: short stacking energy: -300.294 Base-Backbone interact. energy: -1.065 local terms energy: -321.065160 where: bonds (distance) C4'-P energy: -59.010 bonds (distance) P-C4' energy: -68.263 flat angles C4'-P-C4' energy: -66.369 flat angles P-C4'-P energy: -38.011 tors. eta vs tors. theta energy: -89.413 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: 6 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -1004.087950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.087950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.087950 (E_RNA) where: Base-Base interactions energy: -671.868 where: short stacking energy: -302.129 Base-Backbone interact. energy: -0.421 local terms energy: -331.798659 where: bonds (distance) C4'-P energy: -57.950 bonds (distance) P-C4' energy: -67.561 flat angles C4'-P-C4' energy: -68.097 flat angles P-C4'-P energy: -49.714 tors. eta vs tors. theta energy: -88.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -927.541596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.541596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.541596 (E_RNA) where: Base-Base interactions energy: -625.021 where: short stacking energy: -275.439 Base-Backbone interact. energy: -2.653 local terms energy: -299.867791 where: bonds (distance) C4'-P energy: -56.077 bonds (distance) P-C4' energy: -65.399 flat angles C4'-P-C4' energy: -62.286 flat angles P-C4'-P energy: -50.106 tors. eta vs tors. theta energy: -66.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -846.433213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.433213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.433213 (E_RNA) where: Base-Base interactions energy: -541.812 where: short stacking energy: -250.448 Base-Backbone interact. energy: 1.791 local terms energy: -306.411646 where: bonds (distance) C4'-P energy: -60.765 bonds (distance) P-C4' energy: -69.248 flat angles C4'-P-C4' energy: -67.767 flat angles P-C4'-P energy: -41.676 tors. eta vs tors. theta energy: -66.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -785.040387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.040387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.040387 (E_RNA) where: Base-Base interactions energy: -534.257 where: short stacking energy: -239.205 Base-Backbone interact. energy: -1.704 local terms energy: -249.079358 where: bonds (distance) C4'-P energy: -43.515 bonds (distance) P-C4' energy: -70.474 flat angles C4'-P-C4' energy: -54.798 flat angles P-C4'-P energy: -35.351 tors. eta vs tors. theta energy: -44.942 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: 7 ===================================== Write number: 270 Temperature: 1.250000 Total energy: -695.465680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.465680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.465680 (E_RNA) where: Base-Base interactions energy: -447.396 where: short stacking energy: -192.548 Base-Backbone interact. energy: -0.518 local terms energy: -247.551598 where: bonds (distance) C4'-P energy: -46.047 bonds (distance) P-C4' energy: -68.375 flat angles C4'-P-C4' energy: -60.351 flat angles P-C4'-P energy: -29.378 tors. eta vs tors. theta energy: -43.401 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: 4 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -546.364552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.364552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.364552 (E_RNA) where: Base-Base interactions energy: -333.049 where: short stacking energy: -136.684 Base-Backbone interact. energy: -1.302 local terms energy: -212.013438 where: bonds (distance) C4'-P energy: -54.940 bonds (distance) P-C4' energy: -53.053 flat angles C4'-P-C4' energy: -46.198 flat angles P-C4'-P energy: -36.788 tors. eta vs tors. theta energy: -21.035 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: 270 Temperature: 1.350000 Total energy: -426.194160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.194160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.194160 (E_RNA) where: Base-Base interactions energy: -229.278 where: short stacking energy: -114.263 Base-Backbone interact. energy: -0.721 local terms energy: -196.195791 where: bonds (distance) C4'-P energy: -53.969 bonds (distance) P-C4' energy: -52.755 flat angles C4'-P-C4' energy: -49.196 flat angles P-C4'-P energy: -36.177 tors. eta vs tors. theta energy: -4.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -1178.522392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.522392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.522392 (E_RNA) where: Base-Base interactions energy: -827.692 where: short stacking energy: -317.942 Base-Backbone interact. energy: -2.805 local terms energy: -348.025248 where: bonds (distance) C4'-P energy: -68.394 bonds (distance) P-C4' energy: -61.759 flat angles C4'-P-C4' energy: -72.831 flat angles P-C4'-P energy: -49.621 tors. eta vs tors. theta energy: -95.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -1132.821123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.821123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.821123 (E_RNA) where: Base-Base interactions energy: -782.199 where: short stacking energy: -329.081 Base-Backbone interact. energy: -2.976 local terms energy: -347.646394 where: bonds (distance) C4'-P energy: -60.214 bonds (distance) P-C4' energy: -64.664 flat angles C4'-P-C4' energy: -76.005 flat angles P-C4'-P energy: -46.553 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: 3, replica: 8 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -1050.837106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.837106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.837106 (E_RNA) where: Base-Base interactions energy: -731.999 where: short stacking energy: -316.688 Base-Backbone interact. energy: 0.141 local terms energy: -318.978529 where: bonds (distance) C4'-P energy: -56.762 bonds (distance) P-C4' energy: -56.189 flat angles C4'-P-C4' energy: -68.642 flat angles P-C4'-P energy: -46.726 tors. eta vs tors. theta energy: -90.660 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: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -1007.601523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.601523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.601523 (E_RNA) where: Base-Base interactions energy: -668.584 where: short stacking energy: -318.233 Base-Backbone interact. energy: -1.777 local terms energy: -337.241047 where: bonds (distance) C4'-P energy: -65.042 bonds (distance) P-C4' energy: -59.838 flat angles C4'-P-C4' energy: -68.657 flat angles P-C4'-P energy: -52.530 tors. eta vs tors. theta energy: -91.175 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: 5, replica: 3 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -963.780154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -963.780154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -963.780154 (E_RNA) where: Base-Base interactions energy: -654.434 where: short stacking energy: -265.357 Base-Backbone interact. energy: -0.096 local terms energy: -309.250620 where: bonds (distance) C4'-P energy: -56.060 bonds (distance) P-C4' energy: -55.097 flat angles C4'-P-C4' energy: -74.849 flat angles P-C4'-P energy: -50.476 tors. eta vs tors. theta energy: -72.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -857.760324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.760324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.760324 (E_RNA) where: Base-Base interactions energy: -574.417 where: short stacking energy: -259.010 Base-Backbone interact. energy: 2.694 local terms energy: -286.037731 where: bonds (distance) C4'-P energy: -54.567 bonds (distance) P-C4' energy: -70.731 flat angles C4'-P-C4' energy: -60.752 flat angles P-C4'-P energy: -38.444 tors. eta vs tors. theta energy: -61.545 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: 5 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -774.215260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.215260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.215260 (E_RNA) where: Base-Base interactions energy: -519.168 where: short stacking energy: -221.800 Base-Backbone interact. energy: -0.841 local terms energy: -254.206104 where: bonds (distance) C4'-P energy: -51.712 bonds (distance) P-C4' energy: -56.521 flat angles C4'-P-C4' energy: -61.224 flat angles P-C4'-P energy: -38.937 tors. eta vs tors. theta energy: -45.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -634.617867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.617867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.617867 (E_RNA) where: Base-Base interactions energy: -412.963 where: short stacking energy: -182.199 Base-Backbone interact. energy: 3.381 local terms energy: -225.036078 where: bonds (distance) C4'-P energy: -60.753 bonds (distance) P-C4' energy: -59.036 flat angles C4'-P-C4' energy: -57.717 flat angles P-C4'-P energy: -23.234 tors. eta vs tors. theta energy: -24.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -541.862414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.862414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.862414 (E_RNA) where: Base-Base interactions energy: -317.806 where: short stacking energy: -153.733 Base-Backbone interact. energy: -1.221 local terms energy: -222.834770 where: bonds (distance) C4'-P energy: -57.965 bonds (distance) P-C4' energy: -56.165 flat angles C4'-P-C4' energy: -46.506 flat angles P-C4'-P energy: -43.280 tors. eta vs tors. theta energy: -18.919 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: 271 Temperature: 1.350000 Total energy: -431.047286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -431.047286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -431.047286 (E_RNA) where: Base-Base interactions energy: -243.461 where: short stacking energy: -114.116 Base-Backbone interact. energy: 0.001 local terms energy: -187.587264 where: bonds (distance) C4'-P energy: -58.309 bonds (distance) P-C4' energy: -47.278 flat angles C4'-P-C4' energy: -51.205 flat angles P-C4'-P energy: -23.290 tors. eta vs tors. theta energy: -7.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -1178.353968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.353968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.353968 (E_RNA) where: Base-Base interactions energy: -842.007 where: short stacking energy: -340.471 Base-Backbone interact. energy: 4.105 local terms energy: -340.451754 where: bonds (distance) C4'-P energy: -57.907 bonds (distance) P-C4' energy: -67.014 flat angles C4'-P-C4' energy: -71.409 flat angles P-C4'-P energy: -49.733 tors. eta vs tors. theta energy: -94.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -1135.372844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.372844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.372844 (E_RNA) where: Base-Base interactions energy: -780.441 where: short stacking energy: -320.084 Base-Backbone interact. energy: -0.222 local terms energy: -354.709273 where: bonds (distance) C4'-P energy: -60.493 bonds (distance) P-C4' energy: -75.618 flat angles C4'-P-C4' energy: -77.000 flat angles P-C4'-P energy: -49.086 tors. eta vs tors. theta energy: -92.513 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: 8 ===================================== Write number: 272 Temperature: 1.000000 Total energy: -1034.863351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.863351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.863351 (E_RNA) where: Base-Base interactions energy: -720.126 where: short stacking energy: -293.332 Base-Backbone interact. energy: -0.421 local terms energy: -314.317000 where: bonds (distance) C4'-P energy: -54.050 bonds (distance) P-C4' energy: -62.561 flat angles C4'-P-C4' energy: -65.030 flat angles P-C4'-P energy: -48.146 tors. eta vs tors. theta energy: -84.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -1041.661719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.661719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.661719 (E_RNA) where: Base-Base interactions energy: -704.910 where: short stacking energy: -322.987 Base-Backbone interact. energy: -2.219 local terms energy: -334.533171 where: bonds (distance) C4'-P energy: -56.442 bonds (distance) P-C4' energy: -61.363 flat angles C4'-P-C4' energy: -76.858 flat angles P-C4'-P energy: -45.789 tors. eta vs tors. theta energy: -94.082 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -952.845042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.845042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.845042 (E_RNA) where: Base-Base interactions energy: -633.858 where: short stacking energy: -263.542 Base-Backbone interact. energy: -2.547 local terms energy: -316.439904 where: bonds (distance) C4'-P energy: -63.364 bonds (distance) P-C4' energy: -61.981 flat angles C4'-P-C4' energy: -65.565 flat angles P-C4'-P energy: -46.868 tors. eta vs tors. theta energy: -78.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -843.488099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.488099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.488099 (E_RNA) where: Base-Base interactions energy: -579.560 where: short stacking energy: -245.978 Base-Backbone interact. energy: -1.141 local terms energy: -262.787323 where: bonds (distance) C4'-P energy: -61.502 bonds (distance) P-C4' energy: -37.429 flat angles C4'-P-C4' energy: -64.320 flat angles P-C4'-P energy: -34.724 tors. eta vs tors. theta energy: -64.811 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: 5 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -770.343749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.343749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.343749 (E_RNA) where: Base-Base interactions energy: -508.572 where: short stacking energy: -225.511 Base-Backbone interact. energy: -1.772 local terms energy: -260.000236 where: bonds (distance) C4'-P energy: -53.124 bonds (distance) P-C4' energy: -64.716 flat angles C4'-P-C4' energy: -51.218 flat angles P-C4'-P energy: -39.274 tors. eta vs tors. theta energy: -51.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -625.079974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.079974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.079974 (E_RNA) where: Base-Base interactions energy: -391.474 where: short stacking energy: -176.441 Base-Backbone interact. energy: -0.562 local terms energy: -233.043803 where: bonds (distance) C4'-P energy: -58.067 bonds (distance) P-C4' energy: -54.551 flat angles C4'-P-C4' energy: -50.304 flat angles P-C4'-P energy: -35.398 tors. eta vs tors. theta energy: -34.725 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: 4 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -586.377813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.377813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.377813 (E_RNA) where: Base-Base interactions energy: -366.781 where: short stacking energy: -173.438 Base-Backbone interact. energy: -0.665 local terms energy: -218.932588 where: bonds (distance) C4'-P energy: -63.841 bonds (distance) P-C4' energy: -53.394 flat angles C4'-P-C4' energy: -56.815 flat angles P-C4'-P energy: -26.506 tors. eta vs tors. theta energy: -18.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -415.381192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.381192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.381192 (E_RNA) where: Base-Base interactions energy: -220.240 where: short stacking energy: -119.001 Base-Backbone interact. energy: -1.440 local terms energy: -193.701168 where: bonds (distance) C4'-P energy: -51.806 bonds (distance) P-C4' energy: -58.139 flat angles C4'-P-C4' energy: -56.212 flat angles P-C4'-P energy: -29.393 tors. eta vs tors. theta energy: 1.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -1164.967974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.967974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.967974 (E_RNA) where: Base-Base interactions energy: -813.442 where: short stacking energy: -330.608 Base-Backbone interact. energy: -1.682 local terms energy: -349.843929 where: bonds (distance) C4'-P energy: -72.393 bonds (distance) P-C4' energy: -62.349 flat angles C4'-P-C4' energy: -66.352 flat angles P-C4'-P energy: -51.439 tors. eta vs tors. theta energy: -97.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -1152.829796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.829796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.829796 (E_RNA) where: Base-Base interactions energy: -818.751 where: short stacking energy: -315.632 Base-Backbone interact. energy: -2.230 local terms energy: -331.848999 where: bonds (distance) C4'-P energy: -60.904 bonds (distance) P-C4' energy: -63.864 flat angles C4'-P-C4' energy: -74.665 flat angles P-C4'-P energy: -41.642 tors. eta vs tors. theta energy: -90.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -1063.240565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.240565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.240565 (E_RNA) where: Base-Base interactions energy: -727.281 where: short stacking energy: -308.774 Base-Backbone interact. energy: -0.534 local terms energy: -335.425715 where: bonds (distance) C4'-P energy: -63.956 bonds (distance) P-C4' energy: -66.852 flat angles C4'-P-C4' energy: -70.653 flat angles P-C4'-P energy: -45.230 tors. eta vs tors. theta energy: -88.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -1006.066629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.066629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.066629 (E_RNA) where: Base-Base interactions energy: -667.628 where: short stacking energy: -303.737 Base-Backbone interact. energy: -0.120 local terms energy: -338.318083 where: bonds (distance) C4'-P energy: -65.342 bonds (distance) P-C4' energy: -56.826 flat angles C4'-P-C4' energy: -70.710 flat angles P-C4'-P energy: -51.930 tors. eta vs tors. theta energy: -93.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -952.310736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.310736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.310736 (E_RNA) where: Base-Base interactions energy: -641.519 where: short stacking energy: -266.307 Base-Backbone interact. energy: 2.544 local terms energy: -313.335483 where: bonds (distance) C4'-P energy: -67.822 bonds (distance) P-C4' energy: -57.737 flat angles C4'-P-C4' energy: -74.171 flat angles P-C4'-P energy: -45.762 tors. eta vs tors. theta energy: -67.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -888.139711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.139711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.139711 (E_RNA) where: Base-Base interactions energy: -595.658 where: short stacking energy: -266.848 Base-Backbone interact. energy: -2.716 local terms energy: -289.765323 where: bonds (distance) C4'-P energy: -57.440 bonds (distance) P-C4' energy: -50.906 flat angles C4'-P-C4' energy: -68.969 flat angles P-C4'-P energy: -39.503 tors. eta vs tors. theta energy: -72.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -739.521294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.521294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.521294 (E_RNA) where: Base-Base interactions energy: -474.178 where: short stacking energy: -209.319 Base-Backbone interact. energy: 0.203 local terms energy: -265.547068 where: bonds (distance) C4'-P energy: -52.705 bonds (distance) P-C4' energy: -62.680 flat angles C4'-P-C4' energy: -63.351 flat angles P-C4'-P energy: -43.182 tors. eta vs tors. theta energy: -43.629 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: 4 ===================================== Write number: 273 Temperature: 1.250000 Total energy: -607.141206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.141206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.141206 (E_RNA) where: Base-Base interactions energy: -379.514 where: short stacking energy: -178.748 Base-Backbone interact. energy: 0.653 local terms energy: -228.280066 where: bonds (distance) C4'-P energy: -57.292 bonds (distance) P-C4' energy: -62.560 flat angles C4'-P-C4' energy: -47.414 flat angles P-C4'-P energy: -31.928 tors. eta vs tors. theta energy: -29.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -594.217280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.217280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.217280 (E_RNA) where: Base-Base interactions energy: -388.370 where: short stacking energy: -165.997 Base-Backbone interact. energy: 3.332 local terms energy: -209.180123 where: bonds (distance) C4'-P energy: -56.365 bonds (distance) P-C4' energy: -49.413 flat angles C4'-P-C4' energy: -54.684 flat angles P-C4'-P energy: -27.972 tors. eta vs tors. theta energy: -20.747 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: 2 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -412.616886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.616886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.616886 (E_RNA) where: Base-Base interactions energy: -208.073 where: short stacking energy: -114.613 Base-Backbone interact. energy: 0.389 local terms energy: -204.933177 where: bonds (distance) C4'-P energy: -58.928 bonds (distance) P-C4' energy: -62.915 flat angles C4'-P-C4' energy: -50.195 flat angles P-C4'-P energy: -23.505 tors. eta vs tors. theta energy: -9.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -1177.093700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.093700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.093700 (E_RNA) where: Base-Base interactions energy: -818.030 where: short stacking energy: -328.888 Base-Backbone interact. energy: 3.113 local terms energy: -362.176499 where: bonds (distance) C4'-P energy: -57.342 bonds (distance) P-C4' energy: -74.914 flat angles C4'-P-C4' energy: -76.789 flat angles P-C4'-P energy: -53.290 tors. eta vs tors. theta energy: -99.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -1129.787945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.787945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.787945 (E_RNA) where: Base-Base interactions energy: -789.612 where: short stacking energy: -325.413 Base-Backbone interact. energy: -1.926 local terms energy: -338.249710 where: bonds (distance) C4'-P energy: -62.487 bonds (distance) P-C4' energy: -71.859 flat angles C4'-P-C4' energy: -77.716 flat angles P-C4'-P energy: -35.912 tors. eta vs tors. theta energy: -90.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 274 Temperature: 1.000000 Total energy: -1060.243982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.243982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.243982 (E_RNA) where: Base-Base interactions energy: -701.403 where: short stacking energy: -319.048 Base-Backbone interact. energy: -4.143 local terms energy: -354.698159 where: bonds (distance) C4'-P energy: -62.485 bonds (distance) P-C4' energy: -61.368 flat angles C4'-P-C4' energy: -74.817 flat angles P-C4'-P energy: -55.077 tors. eta vs tors. theta energy: -100.951 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: 6 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -1025.466957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.466957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.466957 (E_RNA) where: Base-Base interactions energy: -701.374 where: short stacking energy: -318.839 Base-Backbone interact. energy: -0.392 local terms energy: -323.701641 where: bonds (distance) C4'-P energy: -60.519 bonds (distance) P-C4' energy: -64.344 flat angles C4'-P-C4' energy: -63.378 flat angles P-C4'-P energy: -43.699 tors. eta vs tors. theta energy: -91.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -959.247974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.247974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.247974 (E_RNA) where: Base-Base interactions energy: -652.252 where: short stacking energy: -285.148 Base-Backbone interact. energy: -2.023 local terms energy: -304.973611 where: bonds (distance) C4'-P energy: -56.786 bonds (distance) P-C4' energy: -66.389 flat angles C4'-P-C4' energy: -65.235 flat angles P-C4'-P energy: -44.270 tors. eta vs tors. theta energy: -72.294 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: 6, replica: 1 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -845.567459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.567459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.567459 (E_RNA) where: Base-Base interactions energy: -538.547 where: short stacking energy: -242.589 Base-Backbone interact. energy: -3.523 local terms energy: -303.497960 where: bonds (distance) C4'-P energy: -59.553 bonds (distance) P-C4' energy: -68.623 flat angles C4'-P-C4' energy: -69.459 flat angles P-C4'-P energy: -43.566 tors. eta vs tors. theta energy: -62.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -704.458547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.458547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.458547 (E_RNA) where: Base-Base interactions energy: -474.417 where: short stacking energy: -212.264 Base-Backbone interact. energy: 0.863 local terms energy: -230.904905 where: bonds (distance) C4'-P energy: -43.985 bonds (distance) P-C4' energy: -59.177 flat angles C4'-P-C4' energy: -48.739 flat angles P-C4'-P energy: -28.238 tors. eta vs tors. theta energy: -50.766 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: 274 Temperature: 1.250000 Total energy: -628.140858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.140858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.140858 (E_RNA) where: Base-Base interactions energy: -390.142 where: short stacking energy: -185.277 Base-Backbone interact. energy: -0.472 local terms energy: -237.526992 where: bonds (distance) C4'-P energy: -48.542 bonds (distance) P-C4' energy: -55.378 flat angles C4'-P-C4' energy: -56.621 flat angles P-C4'-P energy: -35.811 tors. eta vs tors. theta energy: -41.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -581.581296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.581296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.581296 (E_RNA) where: Base-Base interactions energy: -362.049 where: short stacking energy: -165.489 Base-Backbone interact. energy: -0.618 local terms energy: -218.913767 where: bonds (distance) C4'-P energy: -48.061 bonds (distance) P-C4' energy: -72.555 flat angles C4'-P-C4' energy: -56.032 flat angles P-C4'-P energy: -17.670 tors. eta vs tors. theta energy: -24.596 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: 274 Temperature: 1.350000 Total energy: -439.816887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.816887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.816887 (E_RNA) where: Base-Base interactions energy: -226.060 where: short stacking energy: -127.974 Base-Backbone interact. energy: 0.303 local terms energy: -214.060152 where: bonds (distance) C4'-P energy: -56.893 bonds (distance) P-C4' energy: -59.639 flat angles C4'-P-C4' energy: -43.510 flat angles P-C4'-P energy: -34.944 tors. eta vs tors. theta energy: -19.074 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: 10 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -1185.027217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.027217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.027217 (E_RNA) where: Base-Base interactions energy: -841.875 where: short stacking energy: -336.632 Base-Backbone interact. energy: 1.694 local terms energy: -344.847074 where: bonds (distance) C4'-P energy: -68.563 bonds (distance) P-C4' energy: -65.516 flat angles C4'-P-C4' energy: -71.576 flat angles P-C4'-P energy: -45.740 tors. eta vs tors. theta energy: -93.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -1140.279361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.279361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.279361 (E_RNA) where: Base-Base interactions energy: -781.752 where: short stacking energy: -315.104 Base-Backbone interact. energy: -3.151 local terms energy: -355.376403 where: bonds (distance) C4'-P energy: -66.260 bonds (distance) P-C4' energy: -66.792 flat angles C4'-P-C4' energy: -75.239 flat angles P-C4'-P energy: -57.526 tors. eta vs tors. theta energy: -89.561 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: 3, replica: 8 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -1066.237180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.237180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.237180 (E_RNA) where: Base-Base interactions energy: -749.229 where: short stacking energy: -325.212 Base-Backbone interact. energy: -1.839 local terms energy: -315.169640 where: bonds (distance) C4'-P energy: -54.853 bonds (distance) P-C4' energy: -62.481 flat angles C4'-P-C4' energy: -62.905 flat angles P-C4'-P energy: -49.163 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: 4, replica: 3 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -960.774074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.774074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.774074 (E_RNA) where: Base-Base interactions energy: -659.472 where: short stacking energy: -281.463 Base-Backbone interact. energy: 1.758 local terms energy: -303.060453 where: bonds (distance) C4'-P energy: -62.023 bonds (distance) P-C4' energy: -55.100 flat angles C4'-P-C4' energy: -61.081 flat angles P-C4'-P energy: -45.001 tors. eta vs tors. theta energy: -79.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -982.427767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.427767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.427767 (E_RNA) where: Base-Base interactions energy: -673.617 where: short stacking energy: -303.279 Base-Backbone interact. energy: -1.741 local terms energy: -307.070557 where: bonds (distance) C4'-P energy: -43.729 bonds (distance) P-C4' energy: -57.879 flat angles C4'-P-C4' energy: -72.269 flat angles P-C4'-P energy: -41.050 tors. eta vs tors. theta energy: -92.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -861.286384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.286384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.286384 (E_RNA) where: Base-Base interactions energy: -585.026 where: short stacking energy: -252.075 Base-Backbone interact. energy: -3.219 local terms energy: -273.041479 where: bonds (distance) C4'-P energy: -54.042 bonds (distance) P-C4' energy: -61.200 flat angles C4'-P-C4' energy: -61.438 flat angles P-C4'-P energy: -33.340 tors. eta vs tors. theta energy: -63.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -737.002040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.002040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.002040 (E_RNA) where: Base-Base interactions energy: -490.030 where: short stacking energy: -220.056 Base-Backbone interact. energy: -0.350 local terms energy: -246.622073 where: bonds (distance) C4'-P energy: -39.296 bonds (distance) P-C4' energy: -64.085 flat angles C4'-P-C4' energy: -56.623 flat angles P-C4'-P energy: -41.783 tors. eta vs tors. theta energy: -44.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -623.476524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.476524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.476524 (E_RNA) where: Base-Base interactions energy: -388.443 where: short stacking energy: -175.440 Base-Backbone interact. energy: -0.531 local terms energy: -234.502833 where: bonds (distance) C4'-P energy: -64.533 bonds (distance) P-C4' energy: -48.148 flat angles C4'-P-C4' energy: -62.260 flat angles P-C4'-P energy: -29.347 tors. eta vs tors. theta energy: -30.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -619.926113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.926113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.926113 (E_RNA) where: Base-Base interactions energy: -390.815 where: short stacking energy: -179.230 Base-Backbone interact. energy: -1.966 local terms energy: -227.145561 where: bonds (distance) C4'-P energy: -50.627 bonds (distance) P-C4' energy: -55.465 flat angles C4'-P-C4' energy: -58.279 flat angles P-C4'-P energy: -35.348 tors. eta vs tors. theta energy: -27.427 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: 2 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -403.327509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.327509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.327509 (E_RNA) where: Base-Base interactions energy: -204.699 where: short stacking energy: -110.613 Base-Backbone interact. energy: -2.684 local terms energy: -195.945358 where: bonds (distance) C4'-P energy: -44.164 bonds (distance) P-C4' energy: -53.530 flat angles C4'-P-C4' energy: -46.725 flat angles P-C4'-P energy: -44.157 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: 10 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -1188.134249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.134249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.134249 (E_RNA) where: Base-Base interactions energy: -844.929 where: short stacking energy: -355.125 Base-Backbone interact. energy: -4.211 local terms energy: -338.993907 where: bonds (distance) C4'-P energy: -58.427 bonds (distance) P-C4' energy: -71.967 flat angles C4'-P-C4' energy: -70.031 flat angles P-C4'-P energy: -37.851 tors. eta vs tors. theta energy: -100.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -1125.838412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.838412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.838412 (E_RNA) where: Base-Base interactions energy: -800.161 where: short stacking energy: -338.986 Base-Backbone interact. energy: 0.508 local terms energy: -326.184829 where: bonds (distance) C4'-P energy: -57.641 bonds (distance) P-C4' energy: -64.046 flat angles C4'-P-C4' energy: -69.530 flat angles P-C4'-P energy: -42.533 tors. eta vs tors. theta energy: -92.436 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: 276 Temperature: 1.000000 Total energy: -1070.592075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.592075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.592075 (E_RNA) where: Base-Base interactions energy: -742.556 where: short stacking energy: -311.377 Base-Backbone interact. energy: -2.124 local terms energy: -325.912239 where: bonds (distance) C4'-P energy: -57.533 bonds (distance) P-C4' energy: -62.927 flat angles C4'-P-C4' energy: -68.825 flat angles P-C4'-P energy: -51.627 tors. eta vs tors. theta energy: -84.999 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: 276 Temperature: 1.050000 Total energy: -977.578172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.578172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.578172 (E_RNA) where: Base-Base interactions energy: -675.307 where: short stacking energy: -293.267 Base-Backbone interact. energy: -1.381 local terms energy: -300.889774 where: bonds (distance) C4'-P energy: -56.287 bonds (distance) P-C4' energy: -64.266 flat angles C4'-P-C4' energy: -68.324 flat angles P-C4'-P energy: -34.434 tors. eta vs tors. theta energy: -77.578 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: 6 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -987.357647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.357647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.357647 (E_RNA) where: Base-Base interactions energy: -672.423 where: short stacking energy: -302.043 Base-Backbone interact. energy: -0.235 local terms energy: -314.699660 where: bonds (distance) C4'-P energy: -65.929 bonds (distance) P-C4' energy: -55.878 flat angles C4'-P-C4' energy: -72.242 flat angles P-C4'-P energy: -38.181 tors. eta vs tors. theta energy: -82.469 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: 1 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -804.563075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -804.563075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -804.563075 (E_RNA) where: Base-Base interactions energy: -515.659 where: short stacking energy: -225.148 Base-Backbone interact. energy: -0.538 local terms energy: -288.366059 where: bonds (distance) C4'-P energy: -59.368 bonds (distance) P-C4' energy: -64.857 flat angles C4'-P-C4' energy: -68.773 flat angles P-C4'-P energy: -35.598 tors. eta vs tors. theta energy: -59.770 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: 5 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -726.242210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.242210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.242210 (E_RNA) where: Base-Base interactions energy: -463.402 where: short stacking energy: -194.155 Base-Backbone interact. energy: -3.166 local terms energy: -259.674254 where: bonds (distance) C4'-P energy: -51.565 bonds (distance) P-C4' energy: -57.342 flat angles C4'-P-C4' energy: -65.170 flat angles P-C4'-P energy: -41.913 tors. eta vs tors. theta energy: -43.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -599.249649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.249649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.249649 (E_RNA) where: Base-Base interactions energy: -368.715 where: short stacking energy: -176.083 Base-Backbone interact. energy: 3.183 local terms energy: -233.717280 where: bonds (distance) C4'-P energy: -50.013 bonds (distance) P-C4' energy: -66.305 flat angles C4'-P-C4' energy: -53.099 flat angles P-C4'-P energy: -24.086 tors. eta vs tors. theta energy: -40.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -639.205139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.205139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.205139 (E_RNA) where: Base-Base interactions energy: -410.813 where: short stacking energy: -189.627 Base-Backbone interact. energy: 1.192 local terms energy: -229.584376 where: bonds (distance) C4'-P energy: -56.791 bonds (distance) P-C4' energy: -46.221 flat angles C4'-P-C4' energy: -57.757 flat angles P-C4'-P energy: -26.816 tors. eta vs tors. theta energy: -42.001 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: 2 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -413.387299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.387299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.387299 (E_RNA) where: Base-Base interactions energy: -239.700 where: short stacking energy: -124.520 Base-Backbone interact. energy: -2.270 local terms energy: -171.416586 where: bonds (distance) C4'-P energy: -55.825 bonds (distance) P-C4' energy: -51.382 flat angles C4'-P-C4' energy: -36.907 flat angles P-C4'-P energy: -22.509 tors. eta vs tors. theta energy: -4.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -1186.109268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.109268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.109268 (E_RNA) where: Base-Base interactions energy: -836.058 where: short stacking energy: -334.955 Base-Backbone interact. energy: -2.639 local terms energy: -347.412349 where: bonds (distance) C4'-P energy: -67.473 bonds (distance) P-C4' energy: -68.361 flat angles C4'-P-C4' energy: -75.115 flat angles P-C4'-P energy: -39.700 tors. eta vs tors. theta energy: -96.763 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: 277 Temperature: 0.950000 Total energy: -1118.162646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.162646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.162646 (E_RNA) where: Base-Base interactions energy: -767.141 where: short stacking energy: -318.485 Base-Backbone interact. energy: 1.187 local terms energy: -352.208845 where: bonds (distance) C4'-P energy: -69.705 bonds (distance) P-C4' energy: -69.860 flat angles C4'-P-C4' energy: -69.609 flat angles P-C4'-P energy: -54.794 tors. eta vs tors. theta energy: -88.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -1120.597092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.597092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.597092 (E_RNA) where: Base-Base interactions energy: -779.140 where: short stacking energy: -336.371 Base-Backbone interact. energy: -1.646 local terms energy: -339.810790 where: bonds (distance) C4'-P energy: -65.489 bonds (distance) P-C4' energy: -52.824 flat angles C4'-P-C4' energy: -72.227 flat angles P-C4'-P energy: -51.261 tors. eta vs tors. theta energy: -98.009 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: 6 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -1011.677550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.677550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.677550 (E_RNA) where: Base-Base interactions energy: -671.338 where: short stacking energy: -299.703 Base-Backbone interact. energy: -1.728 local terms energy: -338.610638 where: bonds (distance) C4'-P energy: -68.232 bonds (distance) P-C4' energy: -67.712 flat angles C4'-P-C4' energy: -62.734 flat angles P-C4'-P energy: -46.236 tors. eta vs tors. theta energy: -93.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -964.183681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.183681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.183681 (E_RNA) where: Base-Base interactions energy: -655.535 where: short stacking energy: -266.933 Base-Backbone interact. energy: 0.633 local terms energy: -309.281313 where: bonds (distance) C4'-P energy: -51.491 bonds (distance) P-C4' energy: -57.290 flat angles C4'-P-C4' energy: -73.416 flat angles P-C4'-P energy: -51.792 tors. eta vs tors. theta energy: -75.294 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: 6, replica: 1 ===================================== Write number: 277 Temperature: 1.150000 Total energy: -786.763997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.763997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.763997 (E_RNA) where: Base-Base interactions energy: -503.589 where: short stacking energy: -231.976 Base-Backbone interact. energy: -1.350 local terms energy: -281.824820 where: bonds (distance) C4'-P energy: -61.351 bonds (distance) P-C4' energy: -60.272 flat angles C4'-P-C4' energy: -61.293 flat angles P-C4'-P energy: -43.522 tors. eta vs tors. theta energy: -55.387 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: 7, replica: 5 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -742.751429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.751429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.751429 (E_RNA) where: Base-Base interactions energy: -481.614 where: short stacking energy: -222.677 Base-Backbone interact. energy: -1.621 local terms energy: -259.516410 where: bonds (distance) C4'-P energy: -61.381 bonds (distance) P-C4' energy: -53.033 flat angles C4'-P-C4' energy: -52.589 flat angles P-C4'-P energy: -42.236 tors. eta vs tors. theta energy: -50.277 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: 7 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -641.796351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.796351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.796351 (E_RNA) where: Base-Base interactions energy: -404.171 where: short stacking energy: -169.421 Base-Backbone interact. energy: -0.763 local terms energy: -236.861788 where: bonds (distance) C4'-P energy: -54.910 bonds (distance) P-C4' energy: -63.800 flat angles C4'-P-C4' energy: -57.474 flat angles P-C4'-P energy: -33.865 tors. eta vs tors. theta energy: -26.813 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: 4 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -558.809467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.809467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.809467 (E_RNA) where: Base-Base interactions energy: -345.390 where: short stacking energy: -164.116 Base-Backbone interact. energy: 3.136 local terms energy: -216.556023 where: bonds (distance) C4'-P energy: -54.079 bonds (distance) P-C4' energy: -58.962 flat angles C4'-P-C4' energy: -46.472 flat angles P-C4'-P energy: -33.352 tors. eta vs tors. theta energy: -23.691 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: 10, replica: 2 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -402.152799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.152799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.152799 (E_RNA) where: Base-Base interactions energy: -212.912 where: short stacking energy: -109.082 Base-Backbone interact. energy: 2.893 local terms energy: -192.133415 where: bonds (distance) C4'-P energy: -48.539 bonds (distance) P-C4' energy: -60.887 flat angles C4'-P-C4' energy: -48.250 flat angles P-C4'-P energy: -24.920 tors. eta vs tors. theta energy: -9.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -1184.697713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.697713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.697713 (E_RNA) where: Base-Base interactions energy: -811.965 where: short stacking energy: -333.325 Base-Backbone interact. energy: -2.224 local terms energy: -370.508471 where: bonds (distance) C4'-P energy: -78.162 bonds (distance) P-C4' energy: -75.941 flat angles C4'-P-C4' energy: -70.784 flat angles P-C4'-P energy: -49.578 tors. eta vs tors. theta energy: -96.043 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: 9 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -1145.736281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.736281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.736281 (E_RNA) where: Base-Base interactions energy: -805.497 where: short stacking energy: -314.359 Base-Backbone interact. energy: 0.579 local terms energy: -340.819112 where: bonds (distance) C4'-P energy: -67.771 bonds (distance) P-C4' energy: -66.374 flat angles C4'-P-C4' energy: -65.118 flat angles P-C4'-P energy: -45.838 tors. eta vs tors. theta energy: -95.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -1115.373829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.373829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.373829 (E_RNA) where: Base-Base interactions energy: -766.654 where: short stacking energy: -332.591 Base-Backbone interact. energy: 0.517 local terms energy: -349.236541 where: bonds (distance) C4'-P energy: -65.386 bonds (distance) P-C4' energy: -68.949 flat angles C4'-P-C4' energy: -70.039 flat angles P-C4'-P energy: -48.530 tors. eta vs tors. theta energy: -96.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -1028.298834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.298834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.298834 (E_RNA) where: Base-Base interactions energy: -676.663 where: short stacking energy: -315.320 Base-Backbone interact. energy: -0.780 local terms energy: -350.855549 where: bonds (distance) C4'-P energy: -59.661 bonds (distance) P-C4' energy: -62.403 flat angles C4'-P-C4' energy: -78.479 flat angles P-C4'-P energy: -49.464 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: 5, replica: 3 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -918.781209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.781209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.781209 (E_RNA) where: Base-Base interactions energy: -622.979 where: short stacking energy: -267.883 Base-Backbone interact. energy: -1.396 local terms energy: -294.406349 where: bonds (distance) C4'-P energy: -64.064 bonds (distance) P-C4' energy: -55.064 flat angles C4'-P-C4' energy: -66.339 flat angles P-C4'-P energy: -39.173 tors. eta vs tors. theta energy: -69.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -812.044749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.044749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.044749 (E_RNA) where: Base-Base interactions energy: -530.520 where: short stacking energy: -234.444 Base-Backbone interact. energy: -1.986 local terms energy: -279.539241 where: bonds (distance) C4'-P energy: -58.820 bonds (distance) P-C4' energy: -55.247 flat angles C4'-P-C4' energy: -58.221 flat angles P-C4'-P energy: -45.765 tors. eta vs tors. theta energy: -61.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -785.154577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.154577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.154577 (E_RNA) where: Base-Base interactions energy: -495.205 where: short stacking energy: -220.777 Base-Backbone interact. energy: -1.678 local terms energy: -288.271190 where: bonds (distance) C4'-P energy: -56.762 bonds (distance) P-C4' energy: -58.296 flat angles C4'-P-C4' energy: -70.065 flat angles P-C4'-P energy: -49.150 tors. eta vs tors. theta energy: -53.998 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: 8, replica: 7 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -699.150037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -699.150037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -699.150037 (E_RNA) where: Base-Base interactions energy: -454.591 where: short stacking energy: -199.421 Base-Backbone interact. energy: 2.541 local terms energy: -247.100249 where: bonds (distance) C4'-P energy: -49.335 bonds (distance) P-C4' energy: -51.342 flat angles C4'-P-C4' energy: -55.996 flat angles P-C4'-P energy: -45.393 tors. eta vs tors. theta energy: -45.035 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: 4 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -554.005655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.005655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.005655 (E_RNA) where: Base-Base interactions energy: -322.304 where: short stacking energy: -140.932 Base-Backbone interact. energy: -2.784 local terms energy: -228.917495 where: bonds (distance) C4'-P energy: -59.072 bonds (distance) P-C4' energy: -59.317 flat angles C4'-P-C4' energy: -53.892 flat angles P-C4'-P energy: -37.646 tors. eta vs tors. theta energy: -18.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -420.187629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.187629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.187629 (E_RNA) where: Base-Base interactions energy: -216.243 where: short stacking energy: -120.236 Base-Backbone interact. energy: 0.360 local terms energy: -204.305150 where: bonds (distance) C4'-P energy: -49.137 bonds (distance) P-C4' energy: -59.756 flat angles C4'-P-C4' energy: -60.532 flat angles P-C4'-P energy: -26.101 tors. eta vs tors. theta energy: -8.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -1166.548092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.548092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.548092 (E_RNA) where: Base-Base interactions energy: -818.903 where: short stacking energy: -321.790 Base-Backbone interact. energy: -0.037 local terms energy: -347.608280 where: bonds (distance) C4'-P energy: -62.401 bonds (distance) P-C4' energy: -62.358 flat angles C4'-P-C4' energy: -77.105 flat angles P-C4'-P energy: -45.127 tors. eta vs tors. theta energy: -100.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -1136.034919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.034919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.034919 (E_RNA) where: Base-Base interactions energy: -786.567 where: short stacking energy: -341.329 Base-Backbone interact. energy: -0.599 local terms energy: -348.868986 where: bonds (distance) C4'-P energy: -57.457 bonds (distance) P-C4' energy: -68.012 flat angles C4'-P-C4' energy: -70.493 flat angles P-C4'-P energy: -51.128 tors. eta vs tors. theta energy: -101.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -1118.309333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.309333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.309333 (E_RNA) where: Base-Base interactions energy: -777.628 where: short stacking energy: -312.828 Base-Backbone interact. energy: 3.246 local terms energy: -343.927459 where: bonds (distance) C4'-P energy: -60.785 bonds (distance) P-C4' energy: -74.995 flat angles C4'-P-C4' energy: -68.865 flat angles P-C4'-P energy: -50.282 tors. eta vs tors. theta energy: -88.999 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: 6 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -1020.718975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.718975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.718975 (E_RNA) where: Base-Base interactions energy: -691.651 where: short stacking energy: -326.611 Base-Backbone interact. energy: -0.008 local terms energy: -329.060263 where: bonds (distance) C4'-P energy: -60.617 bonds (distance) P-C4' energy: -50.915 flat angles C4'-P-C4' energy: -69.120 flat angles P-C4'-P energy: -46.404 tors. eta vs tors. theta energy: -102.003 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: 3 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -950.249196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.249196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.249196 (E_RNA) where: Base-Base interactions energy: -644.101 where: short stacking energy: -291.524 Base-Backbone interact. energy: -0.368 local terms energy: -305.779854 where: bonds (distance) C4'-P energy: -69.062 bonds (distance) P-C4' energy: -59.166 flat angles C4'-P-C4' energy: -71.083 flat angles P-C4'-P energy: -32.143 tors. eta vs tors. theta energy: -74.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -814.564120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.564120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.564120 (E_RNA) where: Base-Base interactions energy: -533.089 where: short stacking energy: -232.284 Base-Backbone interact. energy: -1.016 local terms energy: -280.459152 where: bonds (distance) C4'-P energy: -52.247 bonds (distance) P-C4' energy: -60.229 flat angles C4'-P-C4' energy: -66.424 flat angles P-C4'-P energy: -50.330 tors. eta vs tors. theta energy: -51.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -741.802813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -741.802813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -741.802813 (E_RNA) where: Base-Base interactions energy: -478.838 where: short stacking energy: -218.457 Base-Backbone interact. energy: -0.228 local terms energy: -262.737063 where: bonds (distance) C4'-P energy: -44.994 bonds (distance) P-C4' energy: -62.542 flat angles C4'-P-C4' energy: -63.330 flat angles P-C4'-P energy: -48.954 tors. eta vs tors. theta energy: -42.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -679.146081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -679.146081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -679.146081 (E_RNA) where: Base-Base interactions energy: -435.116 where: short stacking energy: -199.420 Base-Backbone interact. energy: -0.959 local terms energy: -243.071366 where: bonds (distance) C4'-P energy: -55.186 bonds (distance) P-C4' energy: -64.625 flat angles C4'-P-C4' energy: -49.606 flat angles P-C4'-P energy: -24.781 tors. eta vs tors. theta energy: -48.873 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: 4 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -608.515003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.515003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.515003 (E_RNA) where: Base-Base interactions energy: -347.091 where: short stacking energy: -156.533 Base-Backbone interact. energy: 3.739 local terms energy: -265.162560 where: bonds (distance) C4'-P energy: -59.871 bonds (distance) P-C4' energy: -74.140 flat angles C4'-P-C4' energy: -64.133 flat angles P-C4'-P energy: -33.739 tors. eta vs tors. theta energy: -33.279 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: 279 Temperature: 1.350000 Total energy: -444.533449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.533449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.533449 (E_RNA) where: Base-Base interactions energy: -249.049 where: short stacking energy: -125.705 Base-Backbone interact. energy: -0.063 local terms energy: -195.420818 where: bonds (distance) C4'-P energy: -49.312 bonds (distance) P-C4' energy: -64.519 flat angles C4'-P-C4' energy: -53.006 flat angles P-C4'-P energy: -25.910 tors. eta vs tors. theta energy: -2.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -1171.976747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.976747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.976747 (E_RNA) where: Base-Base interactions energy: -812.567 where: short stacking energy: -340.689 Base-Backbone interact. energy: -2.745 local terms energy: -356.664835 where: bonds (distance) C4'-P energy: -60.003 bonds (distance) P-C4' energy: -65.727 flat angles C4'-P-C4' energy: -77.036 flat angles P-C4'-P energy: -49.859 tors. eta vs tors. theta energy: -104.041 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: 2, replica: 10 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -1176.732518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.732518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.732518 (E_RNA) where: Base-Base interactions energy: -832.362 where: short stacking energy: -343.242 Base-Backbone interact. energy: -2.553 local terms energy: -341.817749 where: bonds (distance) C4'-P energy: -71.026 bonds (distance) P-C4' energy: -57.496 flat angles C4'-P-C4' energy: -72.870 flat angles P-C4'-P energy: -43.445 tors. eta vs tors. theta energy: -96.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -1108.786707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.786707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.786707 (E_RNA) where: Base-Base interactions energy: -754.975 where: short stacking energy: -326.855 Base-Backbone interact. energy: -0.396 local terms energy: -353.415834 where: bonds (distance) C4'-P energy: -61.981 bonds (distance) P-C4' energy: -65.808 flat angles C4'-P-C4' energy: -75.482 flat angles P-C4'-P energy: -55.690 tors. eta vs tors. theta energy: -94.454 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: 6 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -1029.208325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.208325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.208325 (E_RNA) where: Base-Base interactions energy: -693.400 where: short stacking energy: -314.261 Base-Backbone interact. energy: -0.353 local terms energy: -335.455068 where: bonds (distance) C4'-P energy: -62.254 bonds (distance) P-C4' energy: -60.867 flat angles C4'-P-C4' energy: -64.382 flat angles P-C4'-P energy: -49.453 tors. eta vs tors. theta energy: -98.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -872.600012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.600012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.600012 (E_RNA) where: Base-Base interactions energy: -570.383 where: short stacking energy: -263.178 Base-Backbone interact. energy: -0.792 local terms energy: -301.424553 where: bonds (distance) C4'-P energy: -57.213 bonds (distance) P-C4' energy: -79.302 flat angles C4'-P-C4' energy: -64.903 flat angles P-C4'-P energy: -34.473 tors. eta vs tors. theta energy: -65.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -903.476393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.476393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.476393 (E_RNA) where: Base-Base interactions energy: -603.431 where: short stacking energy: -251.130 Base-Backbone interact. energy: -2.128 local terms energy: -297.917388 where: bonds (distance) C4'-P energy: -63.121 bonds (distance) P-C4' energy: -55.103 flat angles C4'-P-C4' energy: -59.703 flat angles P-C4'-P energy: -50.089 tors. eta vs tors. theta energy: -69.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -757.772912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.772912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.772912 (E_RNA) where: Base-Base interactions energy: -509.545 where: short stacking energy: -222.279 Base-Backbone interact. energy: 0.703 local terms energy: -248.930944 where: bonds (distance) C4'-P energy: -52.712 bonds (distance) P-C4' energy: -47.699 flat angles C4'-P-C4' energy: -56.490 flat angles P-C4'-P energy: -36.488 tors. eta vs tors. theta energy: -55.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -641.687912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.687912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.687912 (E_RNA) where: Base-Base interactions energy: -402.704 where: short stacking energy: -181.584 Base-Backbone interact. energy: -0.313 local terms energy: -238.670973 where: bonds (distance) C4'-P energy: -44.344 bonds (distance) P-C4' energy: -60.571 flat angles C4'-P-C4' energy: -58.967 flat angles P-C4'-P energy: -42.954 tors. eta vs tors. theta energy: -31.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -609.314802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.314802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.314802 (E_RNA) where: Base-Base interactions energy: -381.069 where: short stacking energy: -169.068 Base-Backbone interact. energy: 3.778 local terms energy: -232.024696 where: bonds (distance) C4'-P energy: -37.736 bonds (distance) P-C4' energy: -65.865 flat angles C4'-P-C4' energy: -55.747 flat angles P-C4'-P energy: -41.450 tors. eta vs tors. theta energy: -31.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -423.317065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.317065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.317065 (E_RNA) where: Base-Base interactions energy: -250.888 where: short stacking energy: -127.580 Base-Backbone interact. energy: 0.209 local terms energy: -172.638254 where: bonds (distance) C4'-P energy: -58.962 bonds (distance) P-C4' energy: -61.945 flat angles C4'-P-C4' energy: -46.145 flat angles P-C4'-P energy: -4.875 tors. eta vs tors. theta energy: -0.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -1171.101639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.101639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.101639 (E_RNA) where: Base-Base interactions energy: -811.482 where: short stacking energy: -342.085 Base-Backbone interact. energy: -1.396 local terms energy: -358.223660 where: bonds (distance) C4'-P energy: -67.988 bonds (distance) P-C4' energy: -65.285 flat angles C4'-P-C4' energy: -71.911 flat angles P-C4'-P energy: -48.826 tors. eta vs tors. theta energy: -104.215 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: 9 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -1134.110105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.110105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.110105 (E_RNA) where: Base-Base interactions energy: -785.046 where: short stacking energy: -320.673 Base-Backbone interact. energy: 0.384 local terms energy: -349.447730 where: bonds (distance) C4'-P energy: -63.751 bonds (distance) P-C4' energy: -66.631 flat angles C4'-P-C4' energy: -78.941 flat angles P-C4'-P energy: -43.480 tors. eta vs tors. theta energy: -96.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -1156.090685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.090685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.090685 (E_RNA) where: Base-Base interactions energy: -818.993 where: short stacking energy: -320.565 Base-Backbone interact. energy: -4.240 local terms energy: -332.857953 where: bonds (distance) C4'-P energy: -60.555 bonds (distance) P-C4' energy: -55.274 flat angles C4'-P-C4' energy: -74.252 flat angles P-C4'-P energy: -42.745 tors. eta vs tors. theta energy: -100.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -1047.689692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.689692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.689692 (E_RNA) where: Base-Base interactions energy: -692.872 where: short stacking energy: -333.030 Base-Backbone interact. energy: -2.877 local terms energy: -351.940000 where: bonds (distance) C4'-P energy: -65.023 bonds (distance) P-C4' energy: -62.146 flat angles C4'-P-C4' energy: -77.463 flat angles P-C4'-P energy: -47.293 tors. eta vs tors. theta energy: -100.016 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: 1 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -887.071545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.071545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.071545 (E_RNA) where: Base-Base interactions energy: -581.677 where: short stacking energy: -259.842 Base-Backbone interact. energy: -1.145 local terms energy: -304.249345 where: bonds (distance) C4'-P energy: -61.162 bonds (distance) P-C4' energy: -66.433 flat angles C4'-P-C4' energy: -54.595 flat angles P-C4'-P energy: -52.477 tors. eta vs tors. theta energy: -69.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -921.077753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.077753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.077753 (E_RNA) where: Base-Base interactions energy: -611.943 where: short stacking energy: -272.405 Base-Backbone interact. energy: 1.014 local terms energy: -310.148754 where: bonds (distance) C4'-P energy: -45.224 bonds (distance) P-C4' energy: -66.581 flat angles C4'-P-C4' energy: -65.657 flat angles P-C4'-P energy: -51.464 tors. eta vs tors. theta energy: -81.224 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: 5 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -794.613827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -794.613827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -794.613827 (E_RNA) where: Base-Base interactions energy: -524.118 where: short stacking energy: -240.284 Base-Backbone interact. energy: 1.305 local terms energy: -271.801355 where: bonds (distance) C4'-P energy: -49.978 bonds (distance) P-C4' energy: -56.319 flat angles C4'-P-C4' energy: -65.891 flat angles P-C4'-P energy: -38.813 tors. eta vs tors. theta energy: -60.801 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: 4 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -649.311674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.311674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.311674 (E_RNA) where: Base-Base interactions energy: -398.097 where: short stacking energy: -184.111 Base-Backbone interact. energy: 3.031 local terms energy: -254.246257 where: bonds (distance) C4'-P energy: -47.307 bonds (distance) P-C4' energy: -58.027 flat angles C4'-P-C4' energy: -64.906 flat angles P-C4'-P energy: -44.712 tors. eta vs tors. theta energy: -39.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -621.566380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.566380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.566380 (E_RNA) where: Base-Base interactions energy: -393.289 where: short stacking energy: -174.487 Base-Backbone interact. energy: -1.839 local terms energy: -226.439012 where: bonds (distance) C4'-P energy: -53.645 bonds (distance) P-C4' energy: -49.987 flat angles C4'-P-C4' energy: -54.001 flat angles P-C4'-P energy: -29.677 tors. eta vs tors. theta energy: -39.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -426.250972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.250972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.250972 (E_RNA) where: Base-Base interactions energy: -211.190 where: short stacking energy: -103.212 Base-Backbone interact. energy: -1.997 local terms energy: -213.064173 where: bonds (distance) C4'-P energy: -55.363 bonds (distance) P-C4' energy: -66.441 flat angles C4'-P-C4' energy: -59.473 flat angles P-C4'-P energy: -27.889 tors. eta vs tors. theta energy: -3.899 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: 8 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -1168.708564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.708564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.708564 (E_RNA) where: Base-Base interactions energy: -800.448 where: short stacking energy: -364.391 Base-Backbone interact. energy: -1.136 local terms energy: -367.124522 where: bonds (distance) C4'-P energy: -67.783 bonds (distance) P-C4' energy: -68.734 flat angles C4'-P-C4' energy: -70.927 flat angles P-C4'-P energy: -51.577 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: 2, replica: 9 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -1140.830609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.830609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.830609 (E_RNA) where: Base-Base interactions energy: -809.926 where: short stacking energy: -325.243 Base-Backbone interact. energy: -3.026 local terms energy: -327.878594 where: bonds (distance) C4'-P energy: -61.856 bonds (distance) P-C4' energy: -60.779 flat angles C4'-P-C4' energy: -69.382 flat angles P-C4'-P energy: -40.816 tors. eta vs tors. theta energy: -95.045 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: 3, replica: 10 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -1118.301629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.301629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.301629 (E_RNA) where: Base-Base interactions energy: -767.679 where: short stacking energy: -316.805 Base-Backbone interact. energy: -1.575 local terms energy: -349.047696 where: bonds (distance) C4'-P energy: -57.905 bonds (distance) P-C4' energy: -64.197 flat angles C4'-P-C4' energy: -75.669 flat angles P-C4'-P energy: -52.728 tors. eta vs tors. theta energy: -98.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -1049.457793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.457793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.457793 (E_RNA) where: Base-Base interactions energy: -737.345 where: short stacking energy: -332.555 Base-Backbone interact. energy: 0.413 local terms energy: -312.526128 where: bonds (distance) C4'-P energy: -63.339 bonds (distance) P-C4' energy: -58.658 flat angles C4'-P-C4' energy: -59.893 flat angles P-C4'-P energy: -40.792 tors. eta vs tors. theta energy: -89.845 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -867.043470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.043470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.043470 (E_RNA) where: Base-Base interactions energy: -562.305 where: short stacking energy: -246.191 Base-Backbone interact. energy: -1.800 local terms energy: -302.938591 where: bonds (distance) C4'-P energy: -67.971 bonds (distance) P-C4' energy: -67.157 flat angles C4'-P-C4' energy: -61.385 flat angles P-C4'-P energy: -46.824 tors. eta vs tors. theta energy: -59.602 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: 6, replica: 3 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -916.794589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.794589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.794589 (E_RNA) where: Base-Base interactions energy: -633.387 where: short stacking energy: -265.374 Base-Backbone interact. energy: -1.786 local terms energy: -281.622393 where: bonds (distance) C4'-P energy: -57.824 bonds (distance) P-C4' energy: -58.638 flat angles C4'-P-C4' energy: -51.484 flat angles P-C4'-P energy: -42.346 tors. eta vs tors. theta energy: -71.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -819.997853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -819.997853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -819.997853 (E_RNA) where: Base-Base interactions energy: -557.652 where: short stacking energy: -234.801 Base-Backbone interact. energy: -1.552 local terms energy: -260.793958 where: bonds (distance) C4'-P energy: -47.764 bonds (distance) P-C4' energy: -59.695 flat angles C4'-P-C4' energy: -66.191 flat angles P-C4'-P energy: -36.291 tors. eta vs tors. theta energy: -50.852 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: 4 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -628.462037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.462037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.462037 (E_RNA) where: Base-Base interactions energy: -399.364 where: short stacking energy: -179.802 Base-Backbone interact. energy: -0.705 local terms energy: -228.392787 where: bonds (distance) C4'-P energy: -42.153 bonds (distance) P-C4' energy: -63.836 flat angles C4'-P-C4' energy: -56.311 flat angles P-C4'-P energy: -37.186 tors. eta vs tors. theta energy: -28.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -594.811479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.811479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.811479 (E_RNA) where: Base-Base interactions energy: -378.846 where: short stacking energy: -161.697 Base-Backbone interact. energy: -0.930 local terms energy: -215.034625 where: bonds (distance) C4'-P energy: -54.652 bonds (distance) P-C4' energy: -50.237 flat angles C4'-P-C4' energy: -55.027 flat angles P-C4'-P energy: -33.232 tors. eta vs tors. theta energy: -21.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -414.075658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.075658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.075658 (E_RNA) where: Base-Base interactions energy: -220.824 where: short stacking energy: -110.964 Base-Backbone interact. energy: -0.072 local terms energy: -193.179478 where: bonds (distance) C4'-P energy: -51.071 bonds (distance) P-C4' energy: -66.804 flat angles C4'-P-C4' energy: -38.580 flat angles P-C4'-P energy: -30.469 tors. eta vs tors. theta energy: -6.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -1160.425942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.425942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.425942 (E_RNA) where: Base-Base interactions energy: -792.679 where: short stacking energy: -340.388 Base-Backbone interact. energy: 0.928 local terms energy: -368.675274 where: bonds (distance) C4'-P energy: -67.508 bonds (distance) P-C4' energy: -71.530 flat angles C4'-P-C4' energy: -77.912 flat angles P-C4'-P energy: -47.311 tors. eta vs tors. theta energy: -104.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -1130.905429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.905429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.905429 (E_RNA) where: Base-Base interactions energy: -804.019 where: short stacking energy: -320.787 Base-Backbone interact. energy: 3.296 local terms energy: -330.182843 where: bonds (distance) C4'-P energy: -60.435 bonds (distance) P-C4' energy: -62.580 flat angles C4'-P-C4' energy: -74.964 flat angles P-C4'-P energy: -49.355 tors. eta vs tors. theta energy: -82.849 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: 10 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -1135.543992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.543992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.543992 (E_RNA) where: Base-Base interactions energy: -799.545 where: short stacking energy: -323.536 Base-Backbone interact. energy: -3.678 local terms energy: -332.320991 where: bonds (distance) C4'-P energy: -55.879 bonds (distance) P-C4' energy: -57.274 flat angles C4'-P-C4' energy: -64.862 flat angles P-C4'-P energy: -52.221 tors. eta vs tors. theta energy: -102.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -1011.109522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.109522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.109522 (E_RNA) where: Base-Base interactions energy: -662.691 where: short stacking energy: -304.927 Base-Backbone interact. energy: -1.847 local terms energy: -346.570957 where: bonds (distance) C4'-P energy: -55.653 bonds (distance) P-C4' energy: -69.720 flat angles C4'-P-C4' energy: -72.091 flat angles P-C4'-P energy: -54.147 tors. eta vs tors. theta energy: -94.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -874.932589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.932589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.932589 (E_RNA) where: Base-Base interactions energy: -578.328 where: short stacking energy: -247.961 Base-Backbone interact. energy: -2.348 local terms energy: -294.256390 where: bonds (distance) C4'-P energy: -57.672 bonds (distance) P-C4' energy: -58.114 flat angles C4'-P-C4' energy: -66.138 flat angles P-C4'-P energy: -44.562 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: 6, replica: 3 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -878.862660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.862660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.862660 (E_RNA) where: Base-Base interactions energy: -593.540 where: short stacking energy: -261.369 Base-Backbone interact. energy: -1.809 local terms energy: -283.513642 where: bonds (distance) C4'-P energy: -56.093 bonds (distance) P-C4' energy: -58.579 flat angles C4'-P-C4' energy: -58.752 flat angles P-C4'-P energy: -40.910 tors. eta vs tors. theta energy: -69.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -820.938634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -820.938634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -820.938634 (E_RNA) where: Base-Base interactions energy: -536.976 where: short stacking energy: -239.158 Base-Backbone interact. energy: 1.329 local terms energy: -285.291416 where: bonds (distance) C4'-P energy: -52.171 bonds (distance) P-C4' energy: -66.849 flat angles C4'-P-C4' energy: -62.626 flat angles P-C4'-P energy: -36.452 tors. eta vs tors. theta energy: -67.193 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: 8, replica: 4 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -628.431205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.431205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.431205 (E_RNA) where: Base-Base interactions energy: -396.970 where: short stacking energy: -187.539 Base-Backbone interact. energy: -0.389 local terms energy: -231.071394 where: bonds (distance) C4'-P energy: -50.399 bonds (distance) P-C4' energy: -60.755 flat angles C4'-P-C4' energy: -52.699 flat angles P-C4'-P energy: -29.048 tors. eta vs tors. theta energy: -38.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -620.453708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.453708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.453708 (E_RNA) where: Base-Base interactions energy: -386.331 where: short stacking energy: -192.116 Base-Backbone interact. energy: 0.575 local terms energy: -234.698149 where: bonds (distance) C4'-P energy: -62.877 bonds (distance) P-C4' energy: -54.865 flat angles C4'-P-C4' energy: -48.041 flat angles P-C4'-P energy: -37.413 tors. eta vs tors. theta energy: -31.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -413.633121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.633121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.633121 (E_RNA) where: Base-Base interactions energy: -223.032 where: short stacking energy: -107.534 Base-Backbone interact. energy: 1.733 local terms energy: -192.334482 where: bonds (distance) C4'-P energy: -51.331 bonds (distance) P-C4' energy: -61.869 flat angles C4'-P-C4' energy: -56.077 flat angles P-C4'-P energy: -28.614 tors. eta vs tors. theta energy: 5.555 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -1177.283422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.283422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.283422 (E_RNA) where: Base-Base interactions energy: -799.747 where: short stacking energy: -342.425 Base-Backbone interact. energy: 0.064 local terms energy: -377.600364 where: bonds (distance) C4'-P energy: -66.861 bonds (distance) P-C4' energy: -69.434 flat angles C4'-P-C4' energy: -77.971 flat angles P-C4'-P energy: -56.959 tors. eta vs tors. theta energy: -106.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -1152.296777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.296777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.296777 (E_RNA) where: Base-Base interactions energy: -825.373 where: short stacking energy: -335.852 Base-Backbone interact. energy: -2.782 local terms energy: -324.141746 where: bonds (distance) C4'-P energy: -56.273 bonds (distance) P-C4' energy: -55.882 flat angles C4'-P-C4' energy: -76.301 flat angles P-C4'-P energy: -46.289 tors. eta vs tors. theta energy: -89.397 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: 10 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -1106.923285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.923285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.923285 (E_RNA) where: Base-Base interactions energy: -765.953 where: short stacking energy: -309.080 Base-Backbone interact. energy: -3.568 local terms energy: -337.401992 where: bonds (distance) C4'-P energy: -49.303 bonds (distance) P-C4' energy: -67.067 flat angles C4'-P-C4' energy: -76.810 flat angles P-C4'-P energy: -47.957 tors. eta vs tors. theta energy: -96.265 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: 6 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -1040.023902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.023902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.023902 (E_RNA) where: Base-Base interactions energy: -698.789 where: short stacking energy: -295.998 Base-Backbone interact. energy: -0.696 local terms energy: -340.538896 where: bonds (distance) C4'-P energy: -61.308 bonds (distance) P-C4' energy: -72.232 flat angles C4'-P-C4' energy: -69.542 flat angles P-C4'-P energy: -44.146 tors. eta vs tors. theta energy: -93.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -902.694619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.694619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.694619 (E_RNA) where: Base-Base interactions energy: -596.802 where: short stacking energy: -279.880 Base-Backbone interact. energy: -0.139 local terms energy: -305.753363 where: bonds (distance) C4'-P energy: -59.471 bonds (distance) P-C4' energy: -62.432 flat angles C4'-P-C4' energy: -63.580 flat angles P-C4'-P energy: -44.238 tors. eta vs tors. theta energy: -76.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -852.358503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.358503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.358503 (E_RNA) where: Base-Base interactions energy: -585.308 where: short stacking energy: -256.099 Base-Backbone interact. energy: 0.098 local terms energy: -267.148673 where: bonds (distance) C4'-P energy: -39.479 bonds (distance) P-C4' energy: -57.204 flat angles C4'-P-C4' energy: -60.468 flat angles P-C4'-P energy: -44.076 tors. eta vs tors. theta energy: -65.922 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: 7, replica: 5 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -784.074097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.074097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.074097 (E_RNA) where: Base-Base interactions energy: -513.464 where: short stacking energy: -222.880 Base-Backbone interact. energy: -0.537 local terms energy: -270.072567 where: bonds (distance) C4'-P energy: -52.358 bonds (distance) P-C4' energy: -59.086 flat angles C4'-P-C4' energy: -66.671 flat angles P-C4'-P energy: -45.715 tors. eta vs tors. theta energy: -46.242 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: 4 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -634.734548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.734548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.734548 (E_RNA) where: Base-Base interactions energy: -388.298 where: short stacking energy: -179.026 Base-Backbone interact. energy: -2.511 local terms energy: -243.925301 where: bonds (distance) C4'-P energy: -58.409 bonds (distance) P-C4' energy: -63.554 flat angles C4'-P-C4' energy: -53.979 flat angles P-C4'-P energy: -29.104 tors. eta vs tors. theta energy: -38.880 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: 7 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -633.144696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.144696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.144696 (E_RNA) where: Base-Base interactions energy: -384.918 where: short stacking energy: -164.114 Base-Backbone interact. energy: -0.252 local terms energy: -247.974877 where: bonds (distance) C4'-P energy: -65.540 bonds (distance) P-C4' energy: -68.177 flat angles C4'-P-C4' energy: -58.190 flat angles P-C4'-P energy: -34.179 tors. eta vs tors. theta energy: -21.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -414.056991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.056991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.056991 (E_RNA) where: Base-Base interactions energy: -231.181 where: short stacking energy: -111.590 Base-Backbone interact. energy: -1.218 local terms energy: -181.658071 where: bonds (distance) C4'-P energy: -53.339 bonds (distance) P-C4' energy: -50.526 flat angles C4'-P-C4' energy: -39.325 flat angles P-C4'-P energy: -32.041 tors. eta vs tors. theta energy: -6.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -1167.404038 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.404038 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.404038 (E_RNA) where: Base-Base interactions energy: -806.752 where: short stacking energy: -351.981 Base-Backbone interact. energy: -0.866 local terms energy: -359.786974 where: bonds (distance) C4'-P energy: -55.736 bonds (distance) P-C4' energy: -70.571 flat angles C4'-P-C4' energy: -72.445 flat angles P-C4'-P energy: -55.691 tors. eta vs tors. theta energy: -105.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -1125.594080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.594080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.594080 (E_RNA) where: Base-Base interactions energy: -782.958 where: short stacking energy: -304.316 Base-Backbone interact. energy: -1.398 local terms energy: -341.238949 where: bonds (distance) C4'-P energy: -78.325 bonds (distance) P-C4' energy: -64.706 flat angles C4'-P-C4' energy: -68.952 flat angles P-C4'-P energy: -46.352 tors. eta vs tors. theta energy: -82.904 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: 10 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -1110.036857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.036857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.036857 (E_RNA) where: Base-Base interactions energy: -794.868 where: short stacking energy: -313.157 Base-Backbone interact. energy: 1.189 local terms energy: -316.358428 where: bonds (distance) C4'-P energy: -53.143 bonds (distance) P-C4' energy: -64.039 flat angles C4'-P-C4' energy: -71.276 flat angles P-C4'-P energy: -42.912 tors. eta vs tors. theta energy: -84.989 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: 6 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -1043.445076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.445076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.445076 (E_RNA) where: Base-Base interactions energy: -727.644 where: short stacking energy: -315.874 Base-Backbone interact. energy: -1.243 local terms energy: -314.558480 where: bonds (distance) C4'-P energy: -55.847 bonds (distance) P-C4' energy: -53.165 flat angles C4'-P-C4' energy: -73.502 flat angles P-C4'-P energy: -40.239 tors. eta vs tors. theta energy: -91.805 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -950.672576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -950.672576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -950.672576 (E_RNA) where: Base-Base interactions energy: -645.796 where: short stacking energy: -271.629 Base-Backbone interact. energy: -1.923 local terms energy: -302.953634 where: bonds (distance) C4'-P energy: -63.721 bonds (distance) P-C4' energy: -64.672 flat angles C4'-P-C4' energy: -53.047 flat angles P-C4'-P energy: -45.294 tors. eta vs tors. theta energy: -76.219 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: 1 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -845.777829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.777829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.777829 (E_RNA) where: Base-Base interactions energy: -541.315 where: short stacking energy: -238.061 Base-Backbone interact. energy: -2.677 local terms energy: -301.785103 where: bonds (distance) C4'-P energy: -70.185 bonds (distance) P-C4' energy: -60.209 flat angles C4'-P-C4' energy: -67.694 flat angles P-C4'-P energy: -38.162 tors. eta vs tors. theta energy: -65.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -798.803590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.803590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.803590 (E_RNA) where: Base-Base interactions energy: -516.221 where: short stacking energy: -221.171 Base-Backbone interact. energy: -1.096 local terms energy: -281.486657 where: bonds (distance) C4'-P energy: -64.865 bonds (distance) P-C4' energy: -62.870 flat angles C4'-P-C4' energy: -59.335 flat angles P-C4'-P energy: -42.331 tors. eta vs tors. theta energy: -52.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -656.237734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -656.237734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -656.237734 (E_RNA) where: Base-Base interactions energy: -420.873 where: short stacking energy: -205.981 Base-Backbone interact. energy: 1.605 local terms energy: -236.970025 where: bonds (distance) C4'-P energy: -55.913 bonds (distance) P-C4' energy: -51.391 flat angles C4'-P-C4' energy: -57.555 flat angles P-C4'-P energy: -29.711 tors. eta vs tors. theta energy: -42.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -653.215895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.215895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.215895 (E_RNA) where: Base-Base interactions energy: -391.331 where: short stacking energy: -181.069 Base-Backbone interact. energy: -3.588 local terms energy: -258.296909 where: bonds (distance) C4'-P energy: -55.372 bonds (distance) P-C4' energy: -57.085 flat angles C4'-P-C4' energy: -61.215 flat angles P-C4'-P energy: -40.859 tors. eta vs tors. theta energy: -43.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -421.472581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.472581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.472581 (E_RNA) where: Base-Base interactions energy: -228.691 where: short stacking energy: -120.173 Base-Backbone interact. energy: -1.432 local terms energy: -191.349332 where: bonds (distance) C4'-P energy: -63.939 bonds (distance) P-C4' energy: -53.168 flat angles C4'-P-C4' energy: -46.589 flat angles P-C4'-P energy: -27.668 tors. eta vs tors. theta energy: 0.015 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: 8 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -1158.434433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.434433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.434433 (E_RNA) where: Base-Base interactions energy: -795.227 where: short stacking energy: -352.410 Base-Backbone interact. energy: -1.527 local terms energy: -361.680937 where: bonds (distance) C4'-P energy: -58.044 bonds (distance) P-C4' energy: -69.119 flat angles C4'-P-C4' energy: -79.876 flat angles P-C4'-P energy: -53.696 tors. eta vs tors. theta energy: -100.946 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: 2, replica: 9 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -1142.604813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.604813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.604813 (E_RNA) where: Base-Base interactions energy: -800.683 where: short stacking energy: -327.910 Base-Backbone interact. energy: -2.226 local terms energy: -339.695826 where: bonds (distance) C4'-P energy: -67.820 bonds (distance) P-C4' energy: -62.041 flat angles C4'-P-C4' energy: -68.422 flat angles P-C4'-P energy: -48.388 tors. eta vs tors. theta energy: -93.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -1110.896824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.896824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.896824 (E_RNA) where: Base-Base interactions energy: -791.887 where: short stacking energy: -314.198 Base-Backbone interact. energy: 2.935 local terms energy: -321.945661 where: bonds (distance) C4'-P energy: -61.526 bonds (distance) P-C4' energy: -60.174 flat angles C4'-P-C4' energy: -69.807 flat angles P-C4'-P energy: -39.407 tors. eta vs tors. theta energy: -91.032 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: 4, replica: 6 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -1049.376024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.376024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.376024 (E_RNA) where: Base-Base interactions energy: -702.618 where: short stacking energy: -310.961 Base-Backbone interact. energy: -1.375 local terms energy: -345.382238 where: bonds (distance) C4'-P energy: -68.123 bonds (distance) P-C4' energy: -63.542 flat angles C4'-P-C4' energy: -70.347 flat angles P-C4'-P energy: -48.938 tors. eta vs tors. theta energy: -94.432 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: 5, replica: 1 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -899.076507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -899.076507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -899.076507 (E_RNA) where: Base-Base interactions energy: -589.225 where: short stacking energy: -269.759 Base-Backbone interact. energy: -1.403 local terms energy: -308.449221 where: bonds (distance) C4'-P energy: -62.307 bonds (distance) P-C4' energy: -62.716 flat angles C4'-P-C4' energy: -61.870 flat angles P-C4'-P energy: -47.393 tors. eta vs tors. theta energy: -74.162 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: 3 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -844.084261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.084261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.084261 (E_RNA) where: Base-Base interactions energy: -568.494 where: short stacking energy: -244.912 Base-Backbone interact. energy: -1.451 local terms energy: -274.139002 where: bonds (distance) C4'-P energy: -50.557 bonds (distance) P-C4' energy: -50.447 flat angles C4'-P-C4' energy: -66.658 flat angles P-C4'-P energy: -44.731 tors. eta vs tors. theta energy: -61.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -758.880766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.880766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.880766 (E_RNA) where: Base-Base interactions energy: -492.415 where: short stacking energy: -217.012 Base-Backbone interact. energy: -2.246 local terms energy: -264.219678 where: bonds (distance) C4'-P energy: -55.333 bonds (distance) P-C4' energy: -59.151 flat angles C4'-P-C4' energy: -60.561 flat angles P-C4'-P energy: -42.332 tors. eta vs tors. theta energy: -46.843 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: 7 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -621.367259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.367259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.367259 (E_RNA) where: Base-Base interactions energy: -375.427 where: short stacking energy: -174.669 Base-Backbone interact. energy: -0.527 local terms energy: -245.413464 where: bonds (distance) C4'-P energy: -57.586 bonds (distance) P-C4' energy: -58.057 flat angles C4'-P-C4' energy: -61.733 flat angles P-C4'-P energy: -32.774 tors. eta vs tors. theta energy: -35.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -661.097744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.097744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.097744 (E_RNA) where: Base-Base interactions energy: -403.505 where: short stacking energy: -187.476 Base-Backbone interact. energy: -0.265 local terms energy: -257.327874 where: bonds (distance) C4'-P energy: -52.802 bonds (distance) P-C4' energy: -61.346 flat angles C4'-P-C4' energy: -66.321 flat angles P-C4'-P energy: -36.089 tors. eta vs tors. theta energy: -40.770 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: 2 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -427.892087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.892087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.892087 (E_RNA) where: Base-Base interactions energy: -227.734 where: short stacking energy: -116.541 Base-Backbone interact. energy: 0.885 local terms energy: -201.043720 where: bonds (distance) C4'-P energy: -63.909 bonds (distance) P-C4' energy: -64.037 flat angles C4'-P-C4' energy: -48.316 flat angles P-C4'-P energy: -27.423 tors. eta vs tors. theta energy: 2.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -1179.746439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.746439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.746439 (E_RNA) where: Base-Base interactions energy: -809.918 where: short stacking energy: -354.501 Base-Backbone interact. energy: -0.538 local terms energy: -369.290542 where: bonds (distance) C4'-P energy: -65.147 bonds (distance) P-C4' energy: -71.364 flat angles C4'-P-C4' energy: -76.062 flat angles P-C4'-P energy: -57.361 tors. eta vs tors. theta energy: -99.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -1166.284001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.284001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.284001 (E_RNA) where: Base-Base interactions energy: -809.039 where: short stacking energy: -316.497 Base-Backbone interact. energy: -1.853 local terms energy: -355.392283 where: bonds (distance) C4'-P energy: -71.923 bonds (distance) P-C4' energy: -69.280 flat angles C4'-P-C4' energy: -75.569 flat angles P-C4'-P energy: -38.402 tors. eta vs tors. theta energy: -100.218 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: 10 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -1121.636022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.636022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.636022 (E_RNA) where: Base-Base interactions energy: -806.245 where: short stacking energy: -312.409 Base-Backbone interact. energy: -1.865 local terms energy: -313.526112 where: bonds (distance) C4'-P energy: -56.124 bonds (distance) P-C4' energy: -55.611 flat angles C4'-P-C4' energy: -67.695 flat angles P-C4'-P energy: -46.627 tors. eta vs tors. theta energy: -87.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -1010.273910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.273910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.273910 (E_RNA) where: Base-Base interactions energy: -672.458 where: short stacking energy: -298.432 Base-Backbone interact. energy: -1.366 local terms energy: -336.449660 where: bonds (distance) C4'-P energy: -65.770 bonds (distance) P-C4' energy: -63.752 flat angles C4'-P-C4' energy: -68.333 flat angles P-C4'-P energy: -47.630 tors. eta vs tors. theta energy: -90.964 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: 1 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -903.512124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.512124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.512124 (E_RNA) where: Base-Base interactions energy: -608.984 where: short stacking energy: -247.113 Base-Backbone interact. energy: -1.818 local terms energy: -292.710700 where: bonds (distance) C4'-P energy: -53.830 bonds (distance) P-C4' energy: -67.364 flat angles C4'-P-C4' energy: -60.708 flat angles P-C4'-P energy: -38.750 tors. eta vs tors. theta energy: -72.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -858.036586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -858.036586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -858.036586 (E_RNA) where: Base-Base interactions energy: -567.113 where: short stacking energy: -237.824 Base-Backbone interact. energy: -1.310 local terms energy: -289.613786 where: bonds (distance) C4'-P energy: -59.400 bonds (distance) P-C4' energy: -56.799 flat angles C4'-P-C4' energy: -66.929 flat angles P-C4'-P energy: -41.551 tors. eta vs tors. theta energy: -64.934 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: 5 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -758.129094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.129094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.129094 (E_RNA) where: Base-Base interactions energy: -514.614 where: short stacking energy: -239.134 Base-Backbone interact. energy: -1.704 local terms energy: -241.810597 where: bonds (distance) C4'-P energy: -42.888 bonds (distance) P-C4' energy: -52.074 flat angles C4'-P-C4' energy: -57.711 flat angles P-C4'-P energy: -39.526 tors. eta vs tors. theta energy: -49.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -643.117230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.117230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.117230 (E_RNA) where: Base-Base interactions energy: -416.029 where: short stacking energy: -176.802 Base-Backbone interact. energy: -0.990 local terms energy: -226.098248 where: bonds (distance) C4'-P energy: -43.185 bonds (distance) P-C4' energy: -55.910 flat angles C4'-P-C4' energy: -47.570 flat angles P-C4'-P energy: -40.715 tors. eta vs tors. theta energy: -38.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -568.870002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.870002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.870002 (E_RNA) where: Base-Base interactions energy: -344.664 where: short stacking energy: -157.294 Base-Backbone interact. energy: 1.455 local terms energy: -225.660883 where: bonds (distance) C4'-P energy: -43.101 bonds (distance) P-C4' energy: -60.949 flat angles C4'-P-C4' energy: -51.466 flat angles P-C4'-P energy: -38.357 tors. eta vs tors. theta energy: -31.787 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: 2 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -421.817126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.817126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.817126 (E_RNA) where: Base-Base interactions energy: -236.770 where: short stacking energy: -133.917 Base-Backbone interact. energy: -1.633 local terms energy: -183.414088 where: bonds (distance) C4'-P energy: -44.032 bonds (distance) P-C4' energy: -47.743 flat angles C4'-P-C4' energy: -48.544 flat angles P-C4'-P energy: -36.594 tors. eta vs tors. theta energy: -6.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -1167.240124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.240124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.240124 (E_RNA) where: Base-Base interactions energy: -800.431 where: short stacking energy: -348.855 Base-Backbone interact. energy: -2.025 local terms energy: -364.784915 where: bonds (distance) C4'-P energy: -65.605 bonds (distance) P-C4' energy: -66.352 flat angles C4'-P-C4' energy: -78.573 flat angles P-C4'-P energy: -53.614 tors. eta vs tors. theta energy: -100.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -1118.729771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.729771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.729771 (E_RNA) where: Base-Base interactions energy: -800.054 where: short stacking energy: -314.949 Base-Backbone interact. energy: -1.013 local terms energy: -317.662304 where: bonds (distance) C4'-P energy: -55.617 bonds (distance) P-C4' energy: -53.163 flat angles C4'-P-C4' energy: -68.209 flat angles P-C4'-P energy: -55.663 tors. eta vs tors. theta energy: -85.010 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: 6 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -1047.579743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.579743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.579743 (E_RNA) where: Base-Base interactions energy: -713.027 where: short stacking energy: -315.719 Base-Backbone interact. energy: 1.173 local terms energy: -335.726109 where: bonds (distance) C4'-P energy: -59.987 bonds (distance) P-C4' energy: -59.736 flat angles C4'-P-C4' energy: -74.208 flat angles P-C4'-P energy: -47.436 tors. eta vs tors. theta energy: -94.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -1094.355154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1094.355154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1094.355154 (E_RNA) where: Base-Base interactions energy: -786.728 where: short stacking energy: -302.642 Base-Backbone interact. energy: -2.558 local terms energy: -305.068651 where: bonds (distance) C4'-P energy: -63.580 bonds (distance) P-C4' energy: -60.059 flat angles C4'-P-C4' energy: -59.186 flat angles P-C4'-P energy: -36.756 tors. eta vs tors. theta energy: -85.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -904.156387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.156387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.156387 (E_RNA) where: Base-Base interactions energy: -612.631 where: short stacking energy: -271.790 Base-Backbone interact. energy: -0.938 local terms energy: -290.587139 where: bonds (distance) C4'-P energy: -49.538 bonds (distance) P-C4' energy: -47.266 flat angles C4'-P-C4' energy: -60.679 flat angles P-C4'-P energy: -45.527 tors. eta vs tors. theta energy: -87.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -822.828779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.828779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.828779 (E_RNA) where: Base-Base interactions energy: -540.550 where: short stacking energy: -215.142 Base-Backbone interact. energy: 0.810 local terms energy: -283.088983 where: bonds (distance) C4'-P energy: -59.183 bonds (distance) P-C4' energy: -60.719 flat angles C4'-P-C4' energy: -61.373 flat angles P-C4'-P energy: -48.374 tors. eta vs tors. theta energy: -53.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -801.715576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.715576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.715576 (E_RNA) where: Base-Base interactions energy: -530.430 where: short stacking energy: -236.751 Base-Backbone interact. energy: 1.793 local terms energy: -273.078520 where: bonds (distance) C4'-P energy: -63.849 bonds (distance) P-C4' energy: -56.020 flat angles C4'-P-C4' energy: -51.326 flat angles P-C4'-P energy: -42.879 tors. eta vs tors. theta energy: -59.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -615.166474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.166474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.166474 (E_RNA) where: Base-Base interactions energy: -389.429 where: short stacking energy: -162.075 Base-Backbone interact. energy: -2.155 local terms energy: -223.582100 where: bonds (distance) C4'-P energy: -59.421 bonds (distance) P-C4' energy: -50.215 flat angles C4'-P-C4' energy: -54.143 flat angles P-C4'-P energy: -38.247 tors. eta vs tors. theta energy: -21.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -562.540991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.540991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.540991 (E_RNA) where: Base-Base interactions energy: -355.758 where: short stacking energy: -173.243 Base-Backbone interact. energy: -1.347 local terms energy: -205.435770 where: bonds (distance) C4'-P energy: -58.001 bonds (distance) P-C4' energy: -43.679 flat angles C4'-P-C4' energy: -48.231 flat angles P-C4'-P energy: -33.401 tors. eta vs tors. theta energy: -22.125 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: 288 Temperature: 1.350000 Total energy: -400.044902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.044902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.044902 (E_RNA) where: Base-Base interactions energy: -185.609 where: short stacking energy: -80.126 Base-Backbone interact. energy: 0.124 local terms energy: -214.559971 where: bonds (distance) C4'-P energy: -57.378 bonds (distance) P-C4' energy: -63.826 flat angles C4'-P-C4' energy: -57.747 flat angles P-C4'-P energy: -34.256 tors. eta vs tors. theta energy: -1.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -1161.974661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.974661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.974661 (E_RNA) where: Base-Base interactions energy: -791.083 where: short stacking energy: -336.486 Base-Backbone interact. energy: -1.836 local terms energy: -369.055592 where: bonds (distance) C4'-P energy: -63.768 bonds (distance) P-C4' energy: -78.138 flat angles C4'-P-C4' energy: -77.570 flat angles P-C4'-P energy: -51.186 tors. eta vs tors. theta energy: -98.395 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: 2, replica: 9 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -1111.827812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.827812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.827812 (E_RNA) where: Base-Base interactions energy: -792.273 where: short stacking energy: -317.816 Base-Backbone interact. energy: -0.608 local terms energy: -318.946368 where: bonds (distance) C4'-P energy: -53.980 bonds (distance) P-C4' energy: -57.535 flat angles C4'-P-C4' energy: -67.638 flat angles P-C4'-P energy: -51.901 tors. eta vs tors. theta energy: -87.892 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: 6 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -1076.670348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.670348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.670348 (E_RNA) where: Base-Base interactions energy: -728.896 where: short stacking energy: -327.620 Base-Backbone interact. energy: -0.707 local terms energy: -347.067683 where: bonds (distance) C4'-P energy: -64.316 bonds (distance) P-C4' energy: -66.711 flat angles C4'-P-C4' energy: -68.024 flat angles P-C4'-P energy: -48.133 tors. eta vs tors. theta energy: -99.883 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: 10 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -1106.800429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.800429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.800429 (E_RNA) where: Base-Base interactions energy: -765.031 where: short stacking energy: -313.212 Base-Backbone interact. energy: -2.873 local terms energy: -338.896971 where: bonds (distance) C4'-P energy: -65.318 bonds (distance) P-C4' energy: -66.213 flat angles C4'-P-C4' energy: -63.964 flat angles P-C4'-P energy: -47.005 tors. eta vs tors. theta energy: -96.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -905.289953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.289953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.289953 (E_RNA) where: Base-Base interactions energy: -599.474 where: short stacking energy: -262.000 Base-Backbone interact. energy: -2.622 local terms energy: -303.194048 where: bonds (distance) C4'-P energy: -61.292 bonds (distance) P-C4' energy: -68.448 flat angles C4'-P-C4' energy: -64.086 flat angles P-C4'-P energy: -41.017 tors. eta vs tors. theta energy: -68.351 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: 5 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -850.489371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.489371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.489371 (E_RNA) where: Base-Base interactions energy: -539.594 where: short stacking energy: -243.904 Base-Backbone interact. energy: -0.798 local terms energy: -310.097847 where: bonds (distance) C4'-P energy: -66.251 bonds (distance) P-C4' energy: -69.612 flat angles C4'-P-C4' energy: -62.188 flat angles P-C4'-P energy: -43.625 tors. eta vs tors. theta energy: -68.423 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: 7, replica: 3 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -798.237359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.237359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.237359 (E_RNA) where: Base-Base interactions energy: -535.511 where: short stacking energy: -231.939 Base-Backbone interact. energy: 0.970 local terms energy: -263.695978 where: bonds (distance) C4'-P energy: -65.634 bonds (distance) P-C4' energy: -60.097 flat angles C4'-P-C4' energy: -64.252 flat angles P-C4'-P energy: -17.437 tors. eta vs tors. theta energy: -56.276 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: 8, replica: 4 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -644.909974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -644.909974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -644.909974 (E_RNA) where: Base-Base interactions energy: -419.243 where: short stacking energy: -201.758 Base-Backbone interact. energy: -1.849 local terms energy: -223.818059 where: bonds (distance) C4'-P energy: -39.479 bonds (distance) P-C4' energy: -55.636 flat angles C4'-P-C4' energy: -60.391 flat angles P-C4'-P energy: -27.632 tors. eta vs tors. theta energy: -40.680 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: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -532.791011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.791011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.791011 (E_RNA) where: Base-Base interactions energy: -297.502 where: short stacking energy: -152.693 Base-Backbone interact. energy: -1.153 local terms energy: -234.135585 where: bonds (distance) C4'-P energy: -56.946 bonds (distance) P-C4' energy: -64.880 flat angles C4'-P-C4' energy: -58.771 flat angles P-C4'-P energy: -30.242 tors. eta vs tors. theta energy: -23.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -415.755690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.755690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.755690 (E_RNA) where: Base-Base interactions energy: -236.053 where: short stacking energy: -138.021 Base-Backbone interact. energy: -0.292 local terms energy: -179.410017 where: bonds (distance) C4'-P energy: -46.237 bonds (distance) P-C4' energy: -59.028 flat angles C4'-P-C4' energy: -51.488 flat angles P-C4'-P energy: -11.715 tors. eta vs tors. theta energy: -10.943 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: 290 Temperature: 0.900000 Total energy: -1164.329569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.329569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.329569 (E_RNA) where: Base-Base interactions energy: -823.091 where: short stacking energy: -357.974 Base-Backbone interact. energy: 1.584 local terms energy: -342.822987 where: bonds (distance) C4'-P energy: -58.898 bonds (distance) P-C4' energy: -68.474 flat angles C4'-P-C4' energy: -72.103 flat angles P-C4'-P energy: -50.143 tors. eta vs tors. theta energy: -93.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -1119.127188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.127188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.127188 (E_RNA) where: Base-Base interactions energy: -778.463 where: short stacking energy: -336.935 Base-Backbone interact. energy: -1.858 local terms energy: -338.806449 where: bonds (distance) C4'-P energy: -58.415 bonds (distance) P-C4' energy: -66.451 flat angles C4'-P-C4' energy: -72.380 flat angles P-C4'-P energy: -46.031 tors. eta vs tors. theta energy: -95.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -1156.880424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.880424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.880424 (E_RNA) where: Base-Base interactions energy: -831.441 where: short stacking energy: -313.445 Base-Backbone interact. energy: -2.992 local terms energy: -322.447614 where: bonds (distance) C4'-P energy: -61.008 bonds (distance) P-C4' energy: -57.517 flat angles C4'-P-C4' energy: -63.164 flat angles P-C4'-P energy: -46.562 tors. eta vs tors. theta energy: -94.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -1026.538004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1026.538004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1026.538004 (E_RNA) where: Base-Base interactions energy: -703.201 where: short stacking energy: -306.459 Base-Backbone interact. energy: -0.280 local terms energy: -323.057355 where: bonds (distance) C4'-P energy: -52.048 bonds (distance) P-C4' energy: -65.471 flat angles C4'-P-C4' energy: -67.892 flat angles P-C4'-P energy: -44.496 tors. eta vs tors. theta energy: -93.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -958.586216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.586216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.586216 (E_RNA) where: Base-Base interactions energy: -665.407 where: short stacking energy: -268.482 Base-Backbone interact. energy: 0.014 local terms energy: -293.192891 where: bonds (distance) C4'-P energy: -54.745 bonds (distance) P-C4' energy: -54.147 flat angles C4'-P-C4' energy: -67.396 flat angles P-C4'-P energy: -45.580 tors. eta vs tors. theta energy: -71.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -842.312716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.312716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.312716 (E_RNA) where: Base-Base interactions energy: -567.357 where: short stacking energy: -254.602 Base-Backbone interact. energy: -0.734 local terms energy: -274.221476 where: bonds (distance) C4'-P energy: -43.885 bonds (distance) P-C4' energy: -53.253 flat angles C4'-P-C4' energy: -68.982 flat angles P-C4'-P energy: -38.977 tors. eta vs tors. theta energy: -69.125 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: 3 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -805.184697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.184697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.184697 (E_RNA) where: Base-Base interactions energy: -528.298 where: short stacking energy: -234.286 Base-Backbone interact. energy: 1.054 local terms energy: -277.941490 where: bonds (distance) C4'-P energy: -62.606 bonds (distance) P-C4' energy: -53.734 flat angles C4'-P-C4' energy: -61.773 flat angles P-C4'-P energy: -36.032 tors. eta vs tors. theta energy: -63.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -614.873456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.873456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.873456 (E_RNA) where: Base-Base interactions energy: -368.349 where: short stacking energy: -166.367 Base-Backbone interact. energy: -0.643 local terms energy: -245.881411 where: bonds (distance) C4'-P energy: -56.119 bonds (distance) P-C4' energy: -61.912 flat angles C4'-P-C4' energy: -52.490 flat angles P-C4'-P energy: -41.078 tors. eta vs tors. theta energy: -34.283 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: 7 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -543.696733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.696733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.696733 (E_RNA) where: Base-Base interactions energy: -313.461 where: short stacking energy: -139.819 Base-Backbone interact. energy: -0.471 local terms energy: -229.763775 where: bonds (distance) C4'-P energy: -54.697 bonds (distance) P-C4' energy: -62.225 flat angles C4'-P-C4' energy: -54.116 flat angles P-C4'-P energy: -27.369 tors. eta vs tors. theta energy: -31.357 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: 2 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -440.734148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.734148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.734148 (E_RNA) where: Base-Base interactions energy: -263.709 where: short stacking energy: -129.790 Base-Backbone interact. energy: -0.499 local terms energy: -176.526465 where: bonds (distance) C4'-P energy: -43.458 bonds (distance) P-C4' energy: -45.148 flat angles C4'-P-C4' energy: -59.221 flat angles P-C4'-P energy: -22.921 tors. eta vs tors. theta energy: -5.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -1170.109669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.109669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.109669 (E_RNA) where: Base-Base interactions energy: -814.960 where: short stacking energy: -326.441 Base-Backbone interact. energy: 0.369 local terms energy: -355.519019 where: bonds (distance) C4'-P energy: -76.093 bonds (distance) P-C4' energy: -68.665 flat angles C4'-P-C4' energy: -71.820 flat angles P-C4'-P energy: -52.608 tors. eta vs tors. theta energy: -86.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -1156.829887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.829887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.829887 (E_RNA) where: Base-Base interactions energy: -814.663 where: short stacking energy: -325.420 Base-Backbone interact. energy: -1.861 local terms energy: -340.305864 where: bonds (distance) C4'-P energy: -65.988 bonds (distance) P-C4' energy: -65.899 flat angles C4'-P-C4' energy: -63.449 flat angles P-C4'-P energy: -53.173 tors. eta vs tors. theta energy: -91.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -1110.083334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.083334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.083334 (E_RNA) where: Base-Base interactions energy: -766.034 where: short stacking energy: -313.014 Base-Backbone interact. energy: 0.118 local terms energy: -344.167113 where: bonds (distance) C4'-P energy: -57.166 bonds (distance) P-C4' energy: -70.321 flat angles C4'-P-C4' energy: -69.650 flat angles P-C4'-P energy: -46.997 tors. eta vs tors. theta energy: -100.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -971.762474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.762474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.762474 (E_RNA) where: Base-Base interactions energy: -676.824 where: short stacking energy: -276.224 Base-Backbone interact. energy: -2.384 local terms energy: -292.555135 where: bonds (distance) C4'-P energy: -56.526 bonds (distance) P-C4' energy: -54.619 flat angles C4'-P-C4' energy: -65.988 flat angles P-C4'-P energy: -39.774 tors. eta vs tors. theta energy: -75.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -1004.571754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.571754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.571754 (E_RNA) where: Base-Base interactions energy: -669.389 where: short stacking energy: -299.160 Base-Backbone interact. energy: -2.476 local terms energy: -332.705916 where: bonds (distance) C4'-P energy: -65.082 bonds (distance) P-C4' energy: -64.198 flat angles C4'-P-C4' energy: -68.307 flat angles P-C4'-P energy: -42.751 tors. eta vs tors. theta energy: -92.367 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: 5 ===================================== Write number: 291 Temperature: 1.150000 Total energy: -842.539830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.539830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.539830 (E_RNA) where: Base-Base interactions energy: -555.649 where: short stacking energy: -241.197 Base-Backbone interact. energy: -0.043 local terms energy: -286.848599 where: bonds (distance) C4'-P energy: -65.102 bonds (distance) P-C4' energy: -58.885 flat angles C4'-P-C4' energy: -60.713 flat angles P-C4'-P energy: -38.327 tors. eta vs tors. theta energy: -63.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -808.364802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.364802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.364802 (E_RNA) where: Base-Base interactions energy: -526.948 where: short stacking energy: -222.059 Base-Backbone interact. energy: 1.332 local terms energy: -282.749155 where: bonds (distance) C4'-P energy: -37.842 bonds (distance) P-C4' energy: -72.841 flat angles C4'-P-C4' energy: -70.627 flat angles P-C4'-P energy: -45.377 tors. eta vs tors. theta energy: -56.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -549.742636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.742636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.742636 (E_RNA) where: Base-Base interactions energy: -321.891 where: short stacking energy: -151.111 Base-Backbone interact. energy: 0.573 local terms energy: -228.425331 where: bonds (distance) C4'-P energy: -52.817 bonds (distance) P-C4' energy: -64.510 flat angles C4'-P-C4' energy: -49.885 flat angles P-C4'-P energy: -40.675 tors. eta vs tors. theta energy: -20.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -576.898465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.898465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.898465 (E_RNA) where: Base-Base interactions energy: -345.317 where: short stacking energy: -154.903 Base-Backbone interact. energy: 1.156 local terms energy: -232.737064 where: bonds (distance) C4'-P energy: -58.852 bonds (distance) P-C4' energy: -49.416 flat angles C4'-P-C4' energy: -47.947 flat angles P-C4'-P energy: -49.351 tors. eta vs tors. theta energy: -27.170 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: 2 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -439.838951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.838951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.838951 (E_RNA) where: Base-Base interactions energy: -251.042 where: short stacking energy: -132.780 Base-Backbone interact. energy: 3.517 local terms energy: -192.313677 where: bonds (distance) C4'-P energy: -51.275 bonds (distance) P-C4' energy: -53.133 flat angles C4'-P-C4' energy: -48.469 flat angles P-C4'-P energy: -27.092 tors. eta vs tors. theta energy: -12.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -1172.631886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.631886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.631886 (E_RNA) where: Base-Base interactions energy: -809.085 where: short stacking energy: -334.918 Base-Backbone interact. energy: -2.207 local terms energy: -361.340417 where: bonds (distance) C4'-P energy: -65.232 bonds (distance) P-C4' energy: -73.432 flat angles C4'-P-C4' energy: -71.762 flat angles P-C4'-P energy: -51.117 tors. eta vs tors. theta energy: -99.796 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: 2, replica: 10 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -1162.271325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.271325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.271325 (E_RNA) where: Base-Base interactions energy: -802.765 where: short stacking energy: -320.032 Base-Backbone interact. energy: -1.126 local terms energy: -358.379806 where: bonds (distance) C4'-P energy: -62.969 bonds (distance) P-C4' energy: -66.118 flat angles C4'-P-C4' energy: -83.473 flat angles P-C4'-P energy: -44.876 tors. eta vs tors. theta energy: -100.944 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: 8 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -1105.591972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.591972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.591972 (E_RNA) where: Base-Base interactions energy: -758.065 where: short stacking energy: -312.803 Base-Backbone interact. energy: 0.022 local terms energy: -347.549086 where: bonds (distance) C4'-P energy: -64.481 bonds (distance) P-C4' energy: -61.902 flat angles C4'-P-C4' energy: -70.409 flat angles P-C4'-P energy: -53.987 tors. eta vs tors. theta energy: -96.769 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: 1 ===================================== Write number: 292 Temperature: 1.050000 Total energy: -968.681213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.681213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.681213 (E_RNA) where: Base-Base interactions energy: -658.543 where: short stacking energy: -269.426 Base-Backbone interact. energy: -2.891 local terms energy: -307.247598 where: bonds (distance) C4'-P energy: -64.713 bonds (distance) P-C4' energy: -50.760 flat angles C4'-P-C4' energy: -71.042 flat angles P-C4'-P energy: -46.843 tors. eta vs tors. theta energy: -73.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -990.915979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -990.915979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -990.915979 (E_RNA) where: Base-Base interactions energy: -651.722 where: short stacking energy: -296.579 Base-Backbone interact. energy: -0.640 local terms energy: -338.553835 where: bonds (distance) C4'-P energy: -63.152 bonds (distance) P-C4' energy: -59.741 flat angles C4'-P-C4' energy: -70.646 flat angles P-C4'-P energy: -52.742 tors. eta vs tors. theta energy: -92.272 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: 5 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -830.709452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.709452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.709452 (E_RNA) where: Base-Base interactions energy: -539.593 where: short stacking energy: -232.520 Base-Backbone interact. energy: -1.877 local terms energy: -289.238871 where: bonds (distance) C4'-P energy: -67.256 bonds (distance) P-C4' energy: -56.877 flat angles C4'-P-C4' energy: -58.004 flat angles P-C4'-P energy: -39.175 tors. eta vs tors. theta energy: -67.926 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: 3 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -812.397104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.397104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.397104 (E_RNA) where: Base-Base interactions energy: -544.062 where: short stacking energy: -237.756 Base-Backbone interact. energy: -0.805 local terms energy: -267.530825 where: bonds (distance) C4'-P energy: -57.210 bonds (distance) P-C4' energy: -60.981 flat angles C4'-P-C4' energy: -57.301 flat angles P-C4'-P energy: -40.640 tors. eta vs tors. theta energy: -51.398 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: 7 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -554.365948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.365948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.365948 (E_RNA) where: Base-Base interactions energy: -328.511 where: short stacking energy: -157.436 Base-Backbone interact. energy: -0.815 local terms energy: -225.040100 where: bonds (distance) C4'-P energy: -50.440 bonds (distance) P-C4' energy: -54.259 flat angles C4'-P-C4' energy: -61.422 flat angles P-C4'-P energy: -40.663 tors. eta vs tors. theta energy: -18.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -537.999464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.999464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.999464 (E_RNA) where: Base-Base interactions energy: -325.943 where: short stacking energy: -156.263 Base-Backbone interact. energy: -0.766 local terms energy: -211.290443 where: bonds (distance) C4'-P energy: -53.564 bonds (distance) P-C4' energy: -60.451 flat angles C4'-P-C4' energy: -31.333 flat angles P-C4'-P energy: -43.771 tors. eta vs tors. theta energy: -22.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -439.721740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.721740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.721740 (E_RNA) where: Base-Base interactions energy: -257.817 where: short stacking energy: -133.711 Base-Backbone interact. energy: 1.501 local terms energy: -183.405198 where: bonds (distance) C4'-P energy: -41.651 bonds (distance) P-C4' energy: -50.105 flat angles C4'-P-C4' energy: -49.706 flat angles P-C4'-P energy: -19.640 tors. eta vs tors. theta energy: -22.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -1179.060692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.060692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.060692 (E_RNA) where: Base-Base interactions energy: -826.305 where: short stacking energy: -337.707 Base-Backbone interact. energy: -2.301 local terms energy: -350.454699 where: bonds (distance) C4'-P energy: -55.368 bonds (distance) P-C4' energy: -72.082 flat angles C4'-P-C4' energy: -74.240 flat angles P-C4'-P energy: -48.547 tors. eta vs tors. theta energy: -100.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -1158.241837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.241837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.241837 (E_RNA) where: Base-Base interactions energy: -807.789 where: short stacking energy: -342.387 Base-Backbone interact. energy: -1.423 local terms energy: -349.030205 where: bonds (distance) C4'-P energy: -60.386 bonds (distance) P-C4' energy: -67.388 flat angles C4'-P-C4' energy: -75.423 flat angles P-C4'-P energy: -48.228 tors. eta vs tors. theta energy: -97.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 293 Temperature: 1.000000 Total energy: -1108.005152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.005152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.005152 (E_RNA) where: Base-Base interactions energy: -751.390 where: short stacking energy: -331.037 Base-Backbone interact. energy: -2.891 local terms energy: -353.723508 where: bonds (distance) C4'-P energy: -70.026 bonds (distance) P-C4' energy: -66.368 flat angles C4'-P-C4' energy: -67.973 flat angles P-C4'-P energy: -50.441 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: 4, replica: 6 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -996.776142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.776142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.776142 (E_RNA) where: Base-Base interactions energy: -676.136 where: short stacking energy: -308.379 Base-Backbone interact. energy: -1.844 local terms energy: -318.796734 where: bonds (distance) C4'-P energy: -52.740 bonds (distance) P-C4' energy: -58.771 flat angles C4'-P-C4' energy: -71.382 flat angles P-C4'-P energy: -39.787 tors. eta vs tors. theta energy: -96.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -947.398261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -947.398261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -947.398261 (E_RNA) where: Base-Base interactions energy: -669.899 where: short stacking energy: -260.857 Base-Backbone interact. energy: -4.341 local terms energy: -273.158016 where: bonds (distance) C4'-P energy: -48.653 bonds (distance) P-C4' energy: -59.386 flat angles C4'-P-C4' energy: -58.832 flat angles P-C4'-P energy: -40.411 tors. eta vs tors. theta energy: -65.876 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: 6, replica: 3 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -884.170078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.170078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.170078 (E_RNA) where: Base-Base interactions energy: -575.529 where: short stacking energy: -251.390 Base-Backbone interact. energy: -0.970 local terms energy: -307.671073 where: bonds (distance) C4'-P energy: -62.669 bonds (distance) P-C4' energy: -68.357 flat angles C4'-P-C4' energy: -69.567 flat angles P-C4'-P energy: -40.031 tors. eta vs tors. theta energy: -67.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -768.881664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.881664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.881664 (E_RNA) where: Base-Base interactions energy: -517.707 where: short stacking energy: -221.412 Base-Backbone interact. energy: -0.985 local terms energy: -250.189909 where: bonds (distance) C4'-P energy: -52.738 bonds (distance) P-C4' energy: -49.757 flat angles C4'-P-C4' energy: -67.707 flat angles P-C4'-P energy: -29.751 tors. eta vs tors. theta energy: -50.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -627.616100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.616100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.616100 (E_RNA) where: Base-Base interactions energy: -377.880 where: short stacking energy: -192.735 Base-Backbone interact. energy: 0.489 local terms energy: -250.224918 where: bonds (distance) C4'-P energy: -62.141 bonds (distance) P-C4' energy: -52.847 flat angles C4'-P-C4' energy: -56.945 flat angles P-C4'-P energy: -30.655 tors. eta vs tors. theta energy: -47.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -531.584430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -531.584430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -531.584430 (E_RNA) where: Base-Base interactions energy: -306.703 where: short stacking energy: -161.328 Base-Backbone interact. energy: -0.987 local terms energy: -223.894870 where: bonds (distance) C4'-P energy: -54.400 bonds (distance) P-C4' energy: -56.566 flat angles C4'-P-C4' energy: -53.021 flat angles P-C4'-P energy: -37.154 tors. eta vs tors. theta energy: -22.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -408.648930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.648930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.648930 (E_RNA) where: Base-Base interactions energy: -229.105 where: short stacking energy: -137.777 Base-Backbone interact. energy: -0.069 local terms energy: -179.474905 where: bonds (distance) C4'-P energy: -49.276 bonds (distance) P-C4' energy: -61.135 flat angles C4'-P-C4' energy: -43.042 flat angles P-C4'-P energy: -11.508 tors. eta vs tors. theta energy: -14.513 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: 1, replica: 10 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -1164.961027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.961027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.961027 (E_RNA) where: Base-Base interactions energy: -820.504 where: short stacking energy: -326.012 Base-Backbone interact. energy: -1.340 local terms energy: -343.117485 where: bonds (distance) C4'-P energy: -64.409 bonds (distance) P-C4' energy: -62.929 flat angles C4'-P-C4' energy: -70.408 flat angles P-C4'-P energy: -51.686 tors. eta vs tors. theta energy: -93.686 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: 2, replica: 9 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -1135.300769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.300769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.300769 (E_RNA) where: Base-Base interactions energy: -794.265 where: short stacking energy: -339.782 Base-Backbone interact. energy: -3.450 local terms energy: -337.585857 where: bonds (distance) C4'-P energy: -64.564 bonds (distance) P-C4' energy: -68.478 flat angles C4'-P-C4' energy: -73.225 flat angles P-C4'-P energy: -34.309 tors. eta vs tors. theta energy: -97.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 294 Temperature: 1.000000 Total energy: -1102.801966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.801966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.801966 (E_RNA) where: Base-Base interactions energy: -736.791 where: short stacking energy: -322.002 Base-Backbone interact. energy: -2.311 local terms energy: -363.700163 where: bonds (distance) C4'-P energy: -68.206 bonds (distance) P-C4' energy: -69.730 flat angles C4'-P-C4' energy: -77.227 flat angles P-C4'-P energy: -49.200 tors. eta vs tors. theta energy: -99.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -1041.073434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.073434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.073434 (E_RNA) where: Base-Base interactions energy: -716.711 where: short stacking energy: -335.400 Base-Backbone interact. energy: -0.789 local terms energy: -323.573631 where: bonds (distance) C4'-P energy: -61.128 bonds (distance) P-C4' energy: -50.949 flat angles C4'-P-C4' energy: -71.843 flat angles P-C4'-P energy: -42.705 tors. eta vs tors. theta energy: -96.949 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: 5, replica: 1 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -929.959769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.959769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.959769 (E_RNA) where: Base-Base interactions energy: -647.793 where: short stacking energy: -272.818 Base-Backbone interact. energy: 0.132 local terms energy: -282.299065 where: bonds (distance) C4'-P energy: -57.150 bonds (distance) P-C4' energy: -64.474 flat angles C4'-P-C4' energy: -58.650 flat angles P-C4'-P energy: -33.458 tors. eta vs tors. theta energy: -68.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -846.008362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.008362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.008362 (E_RNA) where: Base-Base interactions energy: -573.013 where: short stacking energy: -249.974 Base-Backbone interact. energy: -0.865 local terms energy: -272.130016 where: bonds (distance) C4'-P energy: -53.815 bonds (distance) P-C4' energy: -59.748 flat angles C4'-P-C4' energy: -57.845 flat angles P-C4'-P energy: -32.886 tors. eta vs tors. theta energy: -67.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -882.019161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.019161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.019161 (E_RNA) where: Base-Base interactions energy: -595.975 where: short stacking energy: -260.963 Base-Backbone interact. energy: -1.066 local terms energy: -284.978907 where: bonds (distance) C4'-P energy: -57.139 bonds (distance) P-C4' energy: -53.975 flat angles C4'-P-C4' energy: -60.171 flat angles P-C4'-P energy: -43.159 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: 8, replica: 4 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -626.200343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.200343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.200343 (E_RNA) where: Base-Base interactions energy: -390.277 where: short stacking energy: -173.307 Base-Backbone interact. energy: 1.646 local terms energy: -237.569433 where: bonds (distance) C4'-P energy: -59.328 bonds (distance) P-C4' energy: -52.615 flat angles C4'-P-C4' energy: -56.759 flat angles P-C4'-P energy: -37.168 tors. eta vs tors. theta energy: -31.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -478.704311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.704311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.704311 (E_RNA) where: Base-Base interactions energy: -249.524 where: short stacking energy: -130.074 Base-Backbone interact. energy: -1.375 local terms energy: -227.805566 where: bonds (distance) C4'-P energy: -55.949 bonds (distance) P-C4' energy: -58.250 flat angles C4'-P-C4' energy: -59.099 flat angles P-C4'-P energy: -44.263 tors. eta vs tors. theta energy: -10.245 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: 294 Temperature: 1.350000 Total energy: -408.272500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.272500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.272500 (E_RNA) where: Base-Base interactions energy: -208.623 where: short stacking energy: -100.306 Base-Backbone interact. energy: 3.029 local terms energy: -202.678470 where: bonds (distance) C4'-P energy: -51.581 bonds (distance) P-C4' energy: -64.758 flat angles C4'-P-C4' energy: -54.649 flat angles P-C4'-P energy: -29.484 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: 1, replica: 10 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -1173.609570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.609570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.609570 (E_RNA) where: Base-Base interactions energy: -820.412 where: short stacking energy: -327.216 Base-Backbone interact. energy: -2.009 local terms energy: -351.188254 where: bonds (distance) C4'-P energy: -68.028 bonds (distance) P-C4' energy: -61.946 flat angles C4'-P-C4' energy: -72.958 flat angles P-C4'-P energy: -54.552 tors. eta vs tors. theta energy: -93.704 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: 9 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -1126.669206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.669206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.669206 (E_RNA) where: Base-Base interactions energy: -781.227 where: short stacking energy: -324.307 Base-Backbone interact. energy: -3.296 local terms energy: -342.146460 where: bonds (distance) C4'-P energy: -61.667 bonds (distance) P-C4' energy: -67.602 flat angles C4'-P-C4' energy: -66.061 flat angles P-C4'-P energy: -46.946 tors. eta vs tors. theta energy: -99.871 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: 8 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -1107.462066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.462066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.462066 (E_RNA) where: Base-Base interactions energy: -754.339 where: short stacking energy: -322.296 Base-Backbone interact. energy: 0.583 local terms energy: -353.706703 where: bonds (distance) C4'-P energy: -65.604 bonds (distance) P-C4' energy: -64.492 flat angles C4'-P-C4' energy: -72.374 flat angles P-C4'-P energy: -49.220 tors. eta vs tors. theta energy: -102.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -1032.087758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.087758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.087758 (E_RNA) where: Base-Base interactions energy: -701.687 where: short stacking energy: -312.884 Base-Backbone interact. energy: -1.402 local terms energy: -328.998882 where: bonds (distance) C4'-P energy: -52.701 bonds (distance) P-C4' energy: -65.825 flat angles C4'-P-C4' energy: -68.680 flat angles P-C4'-P energy: -46.596 tors. eta vs tors. theta energy: -95.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -904.378815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.378815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.378815 (E_RNA) where: Base-Base interactions energy: -603.568 where: short stacking energy: -231.233 Base-Backbone interact. energy: -0.209 local terms energy: -300.602067 where: bonds (distance) C4'-P energy: -60.242 bonds (distance) P-C4' energy: -72.349 flat angles C4'-P-C4' energy: -61.996 flat angles P-C4'-P energy: -45.794 tors. eta vs tors. theta energy: -60.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -842.035905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.035905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.035905 (E_RNA) where: Base-Base interactions energy: -555.571 where: short stacking energy: -243.700 Base-Backbone interact. energy: -0.583 local terms energy: -285.881901 where: bonds (distance) C4'-P energy: -62.441 bonds (distance) P-C4' energy: -52.417 flat angles C4'-P-C4' energy: -70.483 flat angles P-C4'-P energy: -45.284 tors. eta vs tors. theta energy: -55.257 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: 3 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -788.138647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.138647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.138647 (E_RNA) where: Base-Base interactions energy: -532.423 where: short stacking energy: -242.583 Base-Backbone interact. energy: -0.332 local terms energy: -255.383416 where: bonds (distance) C4'-P energy: -52.154 bonds (distance) P-C4' energy: -55.502 flat angles C4'-P-C4' energy: -55.481 flat angles P-C4'-P energy: -31.428 tors. eta vs tors. theta energy: -60.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -608.391727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.391727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.391727 (E_RNA) where: Base-Base interactions energy: -373.937 where: short stacking energy: -171.760 Base-Backbone interact. energy: -0.451 local terms energy: -234.003808 where: bonds (distance) C4'-P energy: -53.642 bonds (distance) P-C4' energy: -62.488 flat angles C4'-P-C4' energy: -57.055 flat angles P-C4'-P energy: -31.588 tors. eta vs tors. theta energy: -29.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -456.486001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.486001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.486001 (E_RNA) where: Base-Base interactions energy: -237.257 where: short stacking energy: -120.960 Base-Backbone interact. energy: -0.863 local terms energy: -218.365805 where: bonds (distance) C4'-P energy: -61.393 bonds (distance) P-C4' energy: -62.198 flat angles C4'-P-C4' energy: -56.261 flat angles P-C4'-P energy: -25.895 tors. eta vs tors. theta energy: -12.619 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: 10, replica: 2 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -446.484433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.484433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.484433 (E_RNA) where: Base-Base interactions energy: -246.488 where: short stacking energy: -116.707 Base-Backbone interact. energy: 2.118 local terms energy: -202.114700 where: bonds (distance) C4'-P energy: -50.980 bonds (distance) P-C4' energy: -59.359 flat angles C4'-P-C4' energy: -55.028 flat angles P-C4'-P energy: -31.339 tors. eta vs tors. theta energy: -5.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -1180.453876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.453876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.453876 (E_RNA) where: Base-Base interactions energy: -835.878 where: short stacking energy: -338.407 Base-Backbone interact. energy: -1.328 local terms energy: -343.247611 where: bonds (distance) C4'-P energy: -60.275 bonds (distance) P-C4' energy: -72.660 flat angles C4'-P-C4' energy: -81.475 flat angles P-C4'-P energy: -36.892 tors. eta vs tors. theta energy: -91.946 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: 2, replica: 9 ===================================== Write number: 296 Temperature: 0.950000 Total energy: -1133.410313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.410313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.410313 (E_RNA) where: Base-Base interactions energy: -783.075 where: short stacking energy: -325.096 Base-Backbone interact. energy: -3.191 local terms energy: -347.144699 where: bonds (distance) C4'-P energy: -66.229 bonds (distance) P-C4' energy: -67.756 flat angles C4'-P-C4' energy: -68.860 flat angles P-C4'-P energy: -48.730 tors. eta vs tors. theta energy: -95.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -1091.969933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.969933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.969933 (E_RNA) where: Base-Base interactions energy: -756.398 where: short stacking energy: -322.242 Base-Backbone interact. energy: -1.026 local terms energy: -334.546082 where: bonds (distance) C4'-P energy: -66.243 bonds (distance) P-C4' energy: -66.891 flat angles C4'-P-C4' energy: -60.448 flat angles P-C4'-P energy: -46.466 tors. eta vs tors. theta energy: -94.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -1016.998301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.998301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.998301 (E_RNA) where: Base-Base interactions energy: -700.785 where: short stacking energy: -321.100 Base-Backbone interact. energy: -1.077 local terms energy: -315.136877 where: bonds (distance) C4'-P energy: -59.460 bonds (distance) P-C4' energy: -57.328 flat angles C4'-P-C4' energy: -63.778 flat angles P-C4'-P energy: -43.615 tors. eta vs tors. theta energy: -90.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -895.588812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -895.588812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -895.588812 (E_RNA) where: Base-Base interactions energy: -607.857 where: short stacking energy: -248.186 Base-Backbone interact. energy: -1.543 local terms energy: -286.189203 where: bonds (distance) C4'-P energy: -58.254 bonds (distance) P-C4' energy: -53.876 flat angles C4'-P-C4' energy: -54.864 flat angles P-C4'-P energy: -52.752 tors. eta vs tors. theta energy: -66.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -823.337062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.337062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.337062 (E_RNA) where: Base-Base interactions energy: -555.541 where: short stacking energy: -237.677 Base-Backbone interact. energy: -0.119 local terms energy: -267.677063 where: bonds (distance) C4'-P energy: -40.756 bonds (distance) P-C4' energy: -53.496 flat angles C4'-P-C4' energy: -65.056 flat angles P-C4'-P energy: -46.751 tors. eta vs tors. theta energy: -61.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -750.630767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.630767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.630767 (E_RNA) where: Base-Base interactions energy: -514.098 where: short stacking energy: -208.322 Base-Backbone interact. energy: 1.661 local terms energy: -238.194200 where: bonds (distance) C4'-P energy: -43.352 bonds (distance) P-C4' energy: -54.718 flat angles C4'-P-C4' energy: -53.699 flat angles P-C4'-P energy: -40.950 tors. eta vs tors. theta energy: -45.476 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: 4 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -615.739715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.739715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.739715 (E_RNA) where: Base-Base interactions energy: -383.060 where: short stacking energy: -192.213 Base-Backbone interact. energy: -0.959 local terms energy: -231.721027 where: bonds (distance) C4'-P energy: -44.324 bonds (distance) P-C4' energy: -60.538 flat angles C4'-P-C4' energy: -61.031 flat angles P-C4'-P energy: -34.839 tors. eta vs tors. theta energy: -30.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -456.408496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.408496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.408496 (E_RNA) where: Base-Base interactions energy: -242.561 where: short stacking energy: -132.719 Base-Backbone interact. energy: -2.858 local terms energy: -210.990002 where: bonds (distance) C4'-P energy: -58.847 bonds (distance) P-C4' energy: -52.806 flat angles C4'-P-C4' energy: -51.682 flat angles P-C4'-P energy: -30.495 tors. eta vs tors. theta energy: -17.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -412.722934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.722934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.722934 (E_RNA) where: Base-Base interactions energy: -236.438 where: short stacking energy: -114.889 Base-Backbone interact. energy: 2.179 local terms energy: -178.463414 where: bonds (distance) C4'-P energy: -57.639 bonds (distance) P-C4' energy: -49.806 flat angles C4'-P-C4' energy: -47.984 flat angles P-C4'-P energy: -19.986 tors. eta vs tors. theta energy: -3.048 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: 10 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -1179.406541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.406541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.406541 (E_RNA) where: Base-Base interactions energy: -829.301 where: short stacking energy: -317.459 Base-Backbone interact. energy: 5.833 local terms energy: -355.938762 where: bonds (distance) C4'-P energy: -66.272 bonds (distance) P-C4' energy: -65.541 flat angles C4'-P-C4' energy: -74.282 flat angles P-C4'-P energy: -55.827 tors. eta vs tors. theta energy: -94.016 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: 9 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -1114.060077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.060077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.060077 (E_RNA) where: Base-Base interactions energy: -757.398 where: short stacking energy: -320.804 Base-Backbone interact. energy: -1.687 local terms energy: -354.975003 where: bonds (distance) C4'-P energy: -65.838 bonds (distance) P-C4' energy: -71.099 flat angles C4'-P-C4' energy: -67.183 flat angles P-C4'-P energy: -54.023 tors. eta vs tors. theta energy: -96.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -1106.509384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.509384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.509384 (E_RNA) where: Base-Base interactions energy: -769.489 where: short stacking energy: -325.349 Base-Backbone interact. energy: -0.910 local terms energy: -336.110524 where: bonds (distance) C4'-P energy: -66.407 bonds (distance) P-C4' energy: -52.506 flat angles C4'-P-C4' energy: -75.423 flat angles P-C4'-P energy: -47.957 tors. eta vs tors. theta energy: -93.818 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: 6 ===================================== Write number: 297 Temperature: 1.050000 Total energy: -1028.411172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.411172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.411172 (E_RNA) where: Base-Base interactions energy: -698.393 where: short stacking energy: -307.095 Base-Backbone interact. energy: 1.061 local terms energy: -331.079335 where: bonds (distance) C4'-P energy: -57.179 bonds (distance) P-C4' energy: -69.954 flat angles C4'-P-C4' energy: -68.053 flat angles P-C4'-P energy: -49.248 tors. eta vs tors. theta energy: -86.645 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: 5, replica: 1 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -891.511142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.511142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.511142 (E_RNA) where: Base-Base interactions energy: -614.626 where: short stacking energy: -251.947 Base-Backbone interact. energy: -3.850 local terms energy: -273.034653 where: bonds (distance) C4'-P energy: -61.356 bonds (distance) P-C4' energy: -60.424 flat angles C4'-P-C4' energy: -62.285 flat angles P-C4'-P energy: -29.901 tors. eta vs tors. theta energy: -59.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -849.847184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -849.847184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -849.847184 (E_RNA) where: Base-Base interactions energy: -576.869 where: short stacking energy: -244.606 Base-Backbone interact. energy: 1.999 local terms energy: -274.977637 where: bonds (distance) C4'-P energy: -61.372 bonds (distance) P-C4' energy: -54.316 flat angles C4'-P-C4' energy: -66.670 flat angles P-C4'-P energy: -33.300 tors. eta vs tors. theta energy: -59.320 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: 3 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -764.234509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -764.234509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -764.234509 (E_RNA) where: Base-Base interactions energy: -479.248 where: short stacking energy: -212.639 Base-Backbone interact. energy: -3.514 local terms energy: -281.472908 where: bonds (distance) C4'-P energy: -51.227 bonds (distance) P-C4' energy: -67.062 flat angles C4'-P-C4' energy: -57.862 flat angles P-C4'-P energy: -47.509 tors. eta vs tors. theta energy: -57.812 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: 4 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -617.200646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.200646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.200646 (E_RNA) where: Base-Base interactions energy: -376.037 where: short stacking energy: -177.482 Base-Backbone interact. energy: -1.282 local terms energy: -239.880989 where: bonds (distance) C4'-P energy: -51.642 bonds (distance) P-C4' energy: -58.526 flat angles C4'-P-C4' energy: -66.367 flat angles P-C4'-P energy: -32.065 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: 2 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -442.799622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.799622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.799622 (E_RNA) where: Base-Base interactions energy: -222.079 where: short stacking energy: -119.740 Base-Backbone interact. energy: 1.146 local terms energy: -221.865938 where: bonds (distance) C4'-P energy: -62.031 bonds (distance) P-C4' energy: -56.802 flat angles C4'-P-C4' energy: -62.691 flat angles P-C4'-P energy: -36.793 tors. eta vs tors. theta energy: -3.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -430.359731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.359731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.359731 (E_RNA) where: Base-Base interactions energy: -246.668 where: short stacking energy: -122.448 Base-Backbone interact. energy: 5.485 local terms energy: -189.177124 where: bonds (distance) C4'-P energy: -50.058 bonds (distance) P-C4' energy: -54.754 flat angles C4'-P-C4' energy: -49.808 flat angles P-C4'-P energy: -30.030 tors. eta vs tors. theta energy: -4.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -1160.998167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.998167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.998167 (E_RNA) where: Base-Base interactions energy: -794.932 where: short stacking energy: -329.819 Base-Backbone interact. energy: -0.856 local terms energy: -365.210343 where: bonds (distance) C4'-P energy: -60.922 bonds (distance) P-C4' energy: -70.090 flat angles C4'-P-C4' energy: -79.415 flat angles P-C4'-P energy: -56.805 tors. eta vs tors. theta energy: -97.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -1150.405276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.405276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.405276 (E_RNA) where: Base-Base interactions energy: -816.335 where: short stacking energy: -312.522 Base-Backbone interact. energy: -1.327 local terms energy: -332.743660 where: bonds (distance) C4'-P energy: -66.051 bonds (distance) P-C4' energy: -61.424 flat angles C4'-P-C4' energy: -65.006 flat angles P-C4'-P energy: -49.498 tors. eta vs tors. theta energy: -90.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -1074.980725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.980725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.980725 (E_RNA) where: Base-Base interactions energy: -742.205 where: short stacking energy: -304.750 Base-Backbone interact. energy: -0.027 local terms energy: -332.748667 where: bonds (distance) C4'-P energy: -62.623 bonds (distance) P-C4' energy: -54.825 flat angles C4'-P-C4' energy: -78.762 flat angles P-C4'-P energy: -46.282 tors. eta vs tors. theta energy: -90.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -1024.688754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.688754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.688754 (E_RNA) where: Base-Base interactions energy: -687.237 where: short stacking energy: -311.209 Base-Backbone interact. energy: -1.320 local terms energy: -336.131136 where: bonds (distance) C4'-P energy: -61.835 bonds (distance) P-C4' energy: -59.852 flat angles C4'-P-C4' energy: -74.876 flat angles P-C4'-P energy: -43.464 tors. eta vs tors. theta energy: -96.103 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: 5, replica: 5 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -867.659336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.659336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.659336 (E_RNA) where: Base-Base interactions energy: -577.625 where: short stacking energy: -249.143 Base-Backbone interact. energy: -2.297 local terms energy: -287.736846 where: bonds (distance) C4'-P energy: -62.778 bonds (distance) P-C4' energy: -57.455 flat angles C4'-P-C4' energy: -59.395 flat angles P-C4'-P energy: -48.573 tors. eta vs tors. theta energy: -59.537 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: 6, replica: 1 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -835.022764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.022764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.022764 (E_RNA) where: Base-Base interactions energy: -543.573 where: short stacking energy: -248.791 Base-Backbone interact. energy: -3.155 local terms energy: -288.295027 where: bonds (distance) C4'-P energy: -51.530 bonds (distance) P-C4' energy: -64.080 flat angles C4'-P-C4' energy: -64.988 flat angles P-C4'-P energy: -40.965 tors. eta vs tors. theta energy: -66.731 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: 3 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -751.585632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.585632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.585632 (E_RNA) where: Base-Base interactions energy: -483.646 where: short stacking energy: -194.006 Base-Backbone interact. energy: -1.716 local terms energy: -266.223966 where: bonds (distance) C4'-P energy: -61.341 bonds (distance) P-C4' energy: -62.417 flat angles C4'-P-C4' energy: -56.705 flat angles P-C4'-P energy: -37.345 tors. eta vs tors. theta energy: -48.416 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: 4 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -618.522696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.522696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.522696 (E_RNA) where: Base-Base interactions energy: -389.028 where: short stacking energy: -178.512 Base-Backbone interact. energy: -1.023 local terms energy: -228.472424 where: bonds (distance) C4'-P energy: -60.241 bonds (distance) P-C4' energy: -64.804 flat angles C4'-P-C4' energy: -52.752 flat angles P-C4'-P energy: -26.342 tors. eta vs tors. theta energy: -24.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -437.996045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.996045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.996045 (E_RNA) where: Base-Base interactions energy: -235.526 where: short stacking energy: -129.499 Base-Backbone interact. energy: 0.259 local terms energy: -202.729308 where: bonds (distance) C4'-P energy: -52.106 bonds (distance) P-C4' energy: -61.549 flat angles C4'-P-C4' energy: -58.149 flat angles P-C4'-P energy: -24.471 tors. eta vs tors. theta energy: -6.455 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: 7 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -413.215044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.215044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.215044 (E_RNA) where: Base-Base interactions energy: -223.873 where: short stacking energy: -129.911 Base-Backbone interact. energy: 2.472 local terms energy: -191.813810 where: bonds (distance) C4'-P energy: -48.392 bonds (distance) P-C4' energy: -46.503 flat angles C4'-P-C4' energy: -45.623 flat angles P-C4'-P energy: -37.915 tors. eta vs tors. theta energy: -13.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -1180.051543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.051543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.051543 (E_RNA) where: Base-Base interactions energy: -806.588 where: short stacking energy: -335.477 Base-Backbone interact. energy: -1.315 local terms energy: -372.148621 where: bonds (distance) C4'-P energy: -69.892 bonds (distance) P-C4' energy: -69.664 flat angles C4'-P-C4' energy: -80.397 flat angles P-C4'-P energy: -52.721 tors. eta vs tors. theta energy: -99.474 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: 10 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -1150.124567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.124567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.124567 (E_RNA) where: Base-Base interactions energy: -821.938 where: short stacking energy: -320.526 Base-Backbone interact. energy: -3.092 local terms energy: -325.094472 where: bonds (distance) C4'-P energy: -51.450 bonds (distance) P-C4' energy: -71.002 flat angles C4'-P-C4' energy: -75.336 flat angles P-C4'-P energy: -39.427 tors. eta vs tors. theta energy: -87.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -1082.271244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.271244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.271244 (E_RNA) where: Base-Base interactions energy: -748.411 where: short stacking energy: -319.177 Base-Backbone interact. energy: -1.240 local terms energy: -332.620043 where: bonds (distance) C4'-P energy: -62.647 bonds (distance) P-C4' energy: -52.352 flat angles C4'-P-C4' energy: -76.097 flat angles P-C4'-P energy: -45.546 tors. eta vs tors. theta energy: -95.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -1011.868668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.868668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.868668 (E_RNA) where: Base-Base interactions energy: -691.539 where: short stacking energy: -312.301 Base-Backbone interact. energy: -0.416 local terms energy: -319.913039 where: bonds (distance) C4'-P energy: -53.102 bonds (distance) P-C4' energy: -56.791 flat angles C4'-P-C4' energy: -76.978 flat angles P-C4'-P energy: -42.705 tors. eta vs tors. theta energy: -90.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -881.871390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.871390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.871390 (E_RNA) where: Base-Base interactions energy: -578.180 where: short stacking energy: -278.944 Base-Backbone interact. energy: -2.554 local terms energy: -301.137339 where: bonds (distance) C4'-P energy: -51.600 bonds (distance) P-C4' energy: -54.828 flat angles C4'-P-C4' energy: -79.179 flat angles P-C4'-P energy: -40.590 tors. eta vs tors. theta energy: -74.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -881.375238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -881.375238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -881.375238 (E_RNA) where: Base-Base interactions energy: -584.933 where: short stacking energy: -266.671 Base-Backbone interact. energy: -1.663 local terms energy: -294.779010 where: bonds (distance) C4'-P energy: -62.393 bonds (distance) P-C4' energy: -57.622 flat angles C4'-P-C4' energy: -60.035 flat angles P-C4'-P energy: -40.084 tors. eta vs tors. theta energy: -74.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -777.957546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.957546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.957546 (E_RNA) where: Base-Base interactions energy: -507.655 where: short stacking energy: -218.479 Base-Backbone interact. energy: -1.647 local terms energy: -268.656371 where: bonds (distance) C4'-P energy: -49.546 bonds (distance) P-C4' energy: -52.728 flat angles C4'-P-C4' energy: -61.260 flat angles P-C4'-P energy: -43.330 tors. eta vs tors. theta energy: -61.792 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: 4 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -647.392326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.392326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.392326 (E_RNA) where: Base-Base interactions energy: -396.261 where: short stacking energy: -185.031 Base-Backbone interact. energy: -0.260 local terms energy: -250.870699 where: bonds (distance) C4'-P energy: -60.343 bonds (distance) P-C4' energy: -55.515 flat angles C4'-P-C4' energy: -64.388 flat angles P-C4'-P energy: -36.571 tors. eta vs tors. theta energy: -34.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -590.189204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.189204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.189204 (E_RNA) where: Base-Base interactions energy: -380.450 where: short stacking energy: -192.834 Base-Backbone interact. energy: 6.306 local terms energy: -216.044994 where: bonds (distance) C4'-P energy: -49.833 bonds (distance) P-C4' energy: -51.621 flat angles C4'-P-C4' energy: -60.329 flat angles P-C4'-P energy: -16.824 tors. eta vs tors. theta energy: -37.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -406.718633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.718633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.718633 (E_RNA) where: Base-Base interactions energy: -203.345 where: short stacking energy: -87.238 Base-Backbone interact. energy: -3.130 local terms energy: -200.243839 where: bonds (distance) C4'-P energy: -46.303 bonds (distance) P-C4' energy: -64.413 flat angles C4'-P-C4' energy: -54.191 flat angles P-C4'-P energy: -33.620 tors. eta vs tors. theta energy: -1.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -1163.812496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.812496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.812496 (E_RNA) where: Base-Base interactions energy: -827.184 where: short stacking energy: -326.113 Base-Backbone interact. energy: -0.753 local terms energy: -335.875642 where: bonds (distance) C4'-P energy: -64.538 bonds (distance) P-C4' energy: -61.679 flat angles C4'-P-C4' energy: -72.354 flat angles P-C4'-P energy: -42.742 tors. eta vs tors. theta energy: -94.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -1143.059046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.059046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.059046 (E_RNA) where: Base-Base interactions energy: -803.241 where: short stacking energy: -308.290 Base-Backbone interact. energy: -3.187 local terms energy: -336.631583 where: bonds (distance) C4'-P energy: -64.783 bonds (distance) P-C4' energy: -60.394 flat angles C4'-P-C4' energy: -69.909 flat angles P-C4'-P energy: -50.973 tors. eta vs tors. theta energy: -90.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -1067.991755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.991755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.991755 (E_RNA) where: Base-Base interactions energy: -724.861 where: short stacking energy: -325.160 Base-Backbone interact. energy: -0.359 local terms energy: -342.771856 where: bonds (distance) C4'-P energy: -68.396 bonds (distance) P-C4' energy: -53.069 flat angles C4'-P-C4' energy: -76.274 flat angles P-C4'-P energy: -49.037 tors. eta vs tors. theta energy: -95.996 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: 8 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -1028.341040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.341040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.341040 (E_RNA) where: Base-Base interactions energy: -713.887 where: short stacking energy: -280.245 Base-Backbone interact. energy: -2.291 local terms energy: -312.162889 where: bonds (distance) C4'-P energy: -63.137 bonds (distance) P-C4' energy: -61.372 flat angles C4'-P-C4' energy: -64.163 flat angles P-C4'-P energy: -40.297 tors. eta vs tors. theta energy: -83.193 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: 5, replica: 1 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -886.592050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.592050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.592050 (E_RNA) where: Base-Base interactions energy: -595.302 where: short stacking energy: -256.094 Base-Backbone interact. energy: 4.297 local terms energy: -295.587796 where: bonds (distance) C4'-P energy: -60.539 bonds (distance) P-C4' energy: -68.624 flat angles C4'-P-C4' energy: -59.928 flat angles P-C4'-P energy: -37.385 tors. eta vs tors. theta energy: -69.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -815.365315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.365315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.365315 (E_RNA) where: Base-Base interactions energy: -522.245 where: short stacking energy: -243.586 Base-Backbone interact. energy: 0.023 local terms energy: -293.142919 where: bonds (distance) C4'-P energy: -56.733 bonds (distance) P-C4' energy: -59.331 flat angles C4'-P-C4' energy: -59.302 flat angles P-C4'-P energy: -51.811 tors. eta vs tors. theta energy: -65.966 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: 7, replica: 3 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -810.074125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.074125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.074125 (E_RNA) where: Base-Base interactions energy: -541.731 where: short stacking energy: -246.572 Base-Backbone interact. energy: -1.664 local terms energy: -266.678676 where: bonds (distance) C4'-P energy: -48.774 bonds (distance) P-C4' energy: -63.541 flat angles C4'-P-C4' energy: -55.602 flat angles P-C4'-P energy: -36.827 tors. eta vs tors. theta energy: -61.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -609.615125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.615125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.615125 (E_RNA) where: Base-Base interactions energy: -398.673 where: short stacking energy: -171.259 Base-Backbone interact. energy: 0.087 local terms energy: -211.029509 where: bonds (distance) C4'-P energy: -46.836 bonds (distance) P-C4' energy: -47.199 flat angles C4'-P-C4' energy: -46.918 flat angles P-C4'-P energy: -36.144 tors. eta vs tors. theta energy: -33.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -554.047539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.047539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.047539 (E_RNA) where: Base-Base interactions energy: -347.035 where: short stacking energy: -151.242 Base-Backbone interact. energy: -1.167 local terms energy: -205.846194 where: bonds (distance) C4'-P energy: -52.742 bonds (distance) P-C4' energy: -37.024 flat angles C4'-P-C4' energy: -59.292 flat angles P-C4'-P energy: -31.205 tors. eta vs tors. theta energy: -25.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -406.103599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.103599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.103599 (E_RNA) where: Base-Base interactions energy: -223.628 where: short stacking energy: -110.500 Base-Backbone interact. energy: -0.909 local terms energy: -181.567304 where: bonds (distance) C4'-P energy: -53.631 bonds (distance) P-C4' energy: -56.032 flat angles C4'-P-C4' energy: -45.873 flat angles P-C4'-P energy: -22.470 tors. eta vs tors. theta energy: -3.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -1185.385128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.385128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.385128 (E_RNA) where: Base-Base interactions energy: -835.312 where: short stacking energy: -337.640 Base-Backbone interact. energy: -1.985 local terms energy: -348.087440 where: bonds (distance) C4'-P energy: -61.524 bonds (distance) P-C4' energy: -65.794 flat angles C4'-P-C4' energy: -74.448 flat angles P-C4'-P energy: -50.759 tors. eta vs tors. theta energy: -95.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -1152.187215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.187215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.187215 (E_RNA) where: Base-Base interactions energy: -808.617 where: short stacking energy: -325.466 Base-Backbone interact. energy: -1.836 local terms energy: -341.734309 where: bonds (distance) C4'-P energy: -61.004 bonds (distance) P-C4' energy: -69.940 flat angles C4'-P-C4' energy: -70.184 flat angles P-C4'-P energy: -45.785 tors. eta vs tors. theta energy: -94.822 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: 3, replica: 6 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -1052.326392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.326392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.326392 (E_RNA) where: Base-Base interactions energy: -715.409 where: short stacking energy: -316.015 Base-Backbone interact. energy: -1.299 local terms energy: -335.618553 where: bonds (distance) C4'-P energy: -56.584 bonds (distance) P-C4' energy: -64.679 flat angles C4'-P-C4' energy: -74.933 flat angles P-C4'-P energy: -44.975 tors. eta vs tors. theta energy: -94.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -1048.527162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.527162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.527162 (E_RNA) where: Base-Base interactions energy: -719.951 where: short stacking energy: -290.273 Base-Backbone interact. energy: -1.703 local terms energy: -326.873299 where: bonds (distance) C4'-P energy: -65.044 bonds (distance) P-C4' energy: -64.518 flat angles C4'-P-C4' energy: -68.737 flat angles P-C4'-P energy: -49.500 tors. eta vs tors. theta energy: -79.074 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: 1 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -916.135253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.135253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.135253 (E_RNA) where: Base-Base interactions energy: -621.549 where: short stacking energy: -264.853 Base-Backbone interact. energy: 1.919 local terms energy: -296.505780 where: bonds (distance) C4'-P energy: -48.855 bonds (distance) P-C4' energy: -64.218 flat angles C4'-P-C4' energy: -66.444 flat angles P-C4'-P energy: -42.816 tors. eta vs tors. theta energy: -74.173 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: 301 Temperature: 1.150000 Total energy: -799.175869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.175869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.175869 (E_RNA) where: Base-Base interactions energy: -524.077 where: short stacking energy: -238.622 Base-Backbone interact. energy: -3.360 local terms energy: -271.738569 where: bonds (distance) C4'-P energy: -53.667 bonds (distance) P-C4' energy: -57.940 flat angles C4'-P-C4' energy: -65.685 flat angles P-C4'-P energy: -41.132 tors. eta vs tors. theta energy: -53.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -734.357341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.357341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.357341 (E_RNA) where: Base-Base interactions energy: -488.411 where: short stacking energy: -224.210 Base-Backbone interact. energy: -2.024 local terms energy: -243.922632 where: bonds (distance) C4'-P energy: -48.182 bonds (distance) P-C4' energy: -66.129 flat angles C4'-P-C4' energy: -46.154 flat angles P-C4'-P energy: -42.226 tors. eta vs tors. theta energy: -41.233 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: 2 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -608.808911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.808911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.808911 (E_RNA) where: Base-Base interactions energy: -372.383 where: short stacking energy: -183.290 Base-Backbone interact. energy: 1.317 local terms energy: -237.742481 where: bonds (distance) C4'-P energy: -56.189 bonds (distance) P-C4' energy: -56.254 flat angles C4'-P-C4' energy: -57.466 flat angles P-C4'-P energy: -33.460 tors. eta vs tors. theta energy: -34.374 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: 4 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -602.768130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.768130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.768130 (E_RNA) where: Base-Base interactions energy: -375.784 where: short stacking energy: -177.766 Base-Backbone interact. energy: 0.967 local terms energy: -227.950690 where: bonds (distance) C4'-P energy: -56.716 bonds (distance) P-C4' energy: -57.891 flat angles C4'-P-C4' energy: -48.796 flat angles P-C4'-P energy: -31.400 tors. eta vs tors. theta energy: -33.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 301 Temperature: 1.350000 Total energy: -464.433544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -464.433544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -464.433544 (E_RNA) where: Base-Base interactions energy: -275.808 where: short stacking energy: -128.951 Base-Backbone interact. energy: -1.009 local terms energy: -187.617019 where: bonds (distance) C4'-P energy: -45.800 bonds (distance) P-C4' energy: -49.483 flat angles C4'-P-C4' energy: -61.365 flat angles P-C4'-P energy: -31.744 tors. eta vs tors. theta energy: 0.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -1169.058950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.058950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.058950 (E_RNA) where: Base-Base interactions energy: -802.318 where: short stacking energy: -341.704 Base-Backbone interact. energy: -0.834 local terms energy: -365.906917 where: bonds (distance) C4'-P energy: -75.008 bonds (distance) P-C4' energy: -63.344 flat angles C4'-P-C4' energy: -74.710 flat angles P-C4'-P energy: -55.772 tors. eta vs tors. theta energy: -97.073 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: 10 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -1145.882232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.882232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.882232 (E_RNA) where: Base-Base interactions energy: -799.824 where: short stacking energy: -332.455 Base-Backbone interact. energy: -2.113 local terms energy: -343.945661 where: bonds (distance) C4'-P energy: -62.260 bonds (distance) P-C4' energy: -69.978 flat angles C4'-P-C4' energy: -73.518 flat angles P-C4'-P energy: -48.005 tors. eta vs tors. theta energy: -90.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -1066.396880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.396880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.396880 (E_RNA) where: Base-Base interactions energy: -720.003 where: short stacking energy: -316.968 Base-Backbone interact. energy: -4.430 local terms energy: -341.963675 where: bonds (distance) C4'-P energy: -67.275 bonds (distance) P-C4' energy: -59.923 flat angles C4'-P-C4' energy: -68.349 flat angles P-C4'-P energy: -47.682 tors. eta vs tors. theta energy: -98.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -1089.575153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.575153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.575153 (E_RNA) where: Base-Base interactions energy: -748.730 where: short stacking energy: -323.263 Base-Backbone interact. energy: -0.717 local terms energy: -340.128083 where: bonds (distance) C4'-P energy: -60.223 bonds (distance) P-C4' energy: -71.512 flat angles C4'-P-C4' energy: -69.586 flat angles P-C4'-P energy: -43.886 tors. eta vs tors. theta energy: -94.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -929.215446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.215446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.215446 (E_RNA) where: Base-Base interactions energy: -631.671 where: short stacking energy: -264.870 Base-Backbone interact. energy: -2.337 local terms energy: -295.207132 where: bonds (distance) C4'-P energy: -51.491 bonds (distance) P-C4' energy: -56.383 flat angles C4'-P-C4' energy: -63.442 flat angles P-C4'-P energy: -42.435 tors. eta vs tors. theta energy: -81.456 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: 5 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -781.073489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.073489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.073489 (E_RNA) where: Base-Base interactions energy: -502.511 where: short stacking energy: -223.197 Base-Backbone interact. energy: -2.737 local terms energy: -275.825699 where: bonds (distance) C4'-P energy: -48.132 bonds (distance) P-C4' energy: -61.600 flat angles C4'-P-C4' energy: -69.371 flat angles P-C4'-P energy: -47.007 tors. eta vs tors. theta energy: -49.715 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: 302 Temperature: 1.200000 Total energy: -765.176801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.176801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.176801 (E_RNA) where: Base-Base interactions energy: -514.787 where: short stacking energy: -232.834 Base-Backbone interact. energy: -0.768 local terms energy: -249.621946 where: bonds (distance) C4'-P energy: -49.532 bonds (distance) P-C4' energy: -55.528 flat angles C4'-P-C4' energy: -51.043 flat angles P-C4'-P energy: -35.258 tors. eta vs tors. theta energy: -58.260 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: 2 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -571.380834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.380834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.380834 (E_RNA) where: Base-Base interactions energy: -356.122 where: short stacking energy: -163.069 Base-Backbone interact. energy: 1.164 local terms energy: -216.422859 where: bonds (distance) C4'-P energy: -57.741 bonds (distance) P-C4' energy: -54.596 flat angles C4'-P-C4' energy: -44.543 flat angles P-C4'-P energy: -40.594 tors. eta vs tors. theta energy: -18.950 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: 4 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -630.535113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.535113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.535113 (E_RNA) where: Base-Base interactions energy: -407.931 where: short stacking energy: -180.201 Base-Backbone interact. energy: -3.332 local terms energy: -219.271622 where: bonds (distance) C4'-P energy: -38.650 bonds (distance) P-C4' energy: -61.054 flat angles C4'-P-C4' energy: -58.148 flat angles P-C4'-P energy: -37.964 tors. eta vs tors. theta energy: -23.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -404.692619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -404.692619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -404.692619 (E_RNA) where: Base-Base interactions energy: -207.876 where: short stacking energy: -103.439 Base-Backbone interact. energy: 0.431 local terms energy: -197.248019 where: bonds (distance) C4'-P energy: -51.279 bonds (distance) P-C4' energy: -62.510 flat angles C4'-P-C4' energy: -39.480 flat angles P-C4'-P energy: -36.187 tors. eta vs tors. theta energy: -7.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -1184.761197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.761197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.761197 (E_RNA) where: Base-Base interactions energy: -823.402 where: short stacking energy: -347.601 Base-Backbone interact. energy: -1.955 local terms energy: -359.403981 where: bonds (distance) C4'-P energy: -65.718 bonds (distance) P-C4' energy: -65.630 flat angles C4'-P-C4' energy: -76.645 flat angles P-C4'-P energy: -53.213 tors. eta vs tors. theta energy: -98.199 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: 2, replica: 10 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -1158.749510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.749510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.749510 (E_RNA) where: Base-Base interactions energy: -804.740 where: short stacking energy: -318.692 Base-Backbone interact. energy: -2.936 local terms energy: -351.073388 where: bonds (distance) C4'-P energy: -54.238 bonds (distance) P-C4' energy: -65.547 flat angles C4'-P-C4' energy: -77.809 flat angles P-C4'-P energy: -51.371 tors. eta vs tors. theta energy: -102.109 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: 6 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -1065.033480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1065.033480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1065.033480 (E_RNA) where: Base-Base interactions energy: -718.333 where: short stacking energy: -317.749 Base-Backbone interact. energy: -0.478 local terms energy: -346.223131 where: bonds (distance) C4'-P energy: -63.907 bonds (distance) P-C4' energy: -66.326 flat angles C4'-P-C4' energy: -72.774 flat angles P-C4'-P energy: -41.413 tors. eta vs tors. theta energy: -101.803 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: 4, replica: 8 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -1034.954370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.954370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.954370 (E_RNA) where: Base-Base interactions energy: -700.480 where: short stacking energy: -294.119 Base-Backbone interact. energy: -2.863 local terms energy: -331.611079 where: bonds (distance) C4'-P energy: -72.360 bonds (distance) P-C4' energy: -55.062 flat angles C4'-P-C4' energy: -77.442 flat angles P-C4'-P energy: -47.549 tors. eta vs tors. theta energy: -79.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -918.544254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.544254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.544254 (E_RNA) where: Base-Base interactions energy: -597.674 where: short stacking energy: -278.927 Base-Backbone interact. energy: -1.551 local terms energy: -319.319710 where: bonds (distance) C4'-P energy: -62.421 bonds (distance) P-C4' energy: -59.997 flat angles C4'-P-C4' energy: -70.141 flat angles P-C4'-P energy: -39.732 tors. eta vs tors. theta energy: -87.029 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: 3 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -803.892895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.892895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.892895 (E_RNA) where: Base-Base interactions energy: -514.348 where: short stacking energy: -233.376 Base-Backbone interact. energy: 2.600 local terms energy: -292.144141 where: bonds (distance) C4'-P energy: -66.124 bonds (distance) P-C4' energy: -64.726 flat angles C4'-P-C4' energy: -66.971 flat angles P-C4'-P energy: -40.823 tors. eta vs tors. theta energy: -53.499 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: 7, replica: 5 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -739.985603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.985603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.985603 (E_RNA) where: Base-Base interactions energy: -469.998 where: short stacking energy: -219.001 Base-Backbone interact. energy: -0.981 local terms energy: -269.005904 where: bonds (distance) C4'-P energy: -59.798 bonds (distance) P-C4' energy: -58.642 flat angles C4'-P-C4' energy: -58.477 flat angles P-C4'-P energy: -38.403 tors. eta vs tors. theta energy: -53.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -609.775521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.775521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.775521 (E_RNA) where: Base-Base interactions energy: -397.027 where: short stacking energy: -188.878 Base-Backbone interact. energy: 0.378 local terms energy: -213.126142 where: bonds (distance) C4'-P energy: -45.337 bonds (distance) P-C4' energy: -48.119 flat angles C4'-P-C4' energy: -46.150 flat angles P-C4'-P energy: -34.677 tors. eta vs tors. theta energy: -38.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -611.136243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.136243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.136243 (E_RNA) where: Base-Base interactions energy: -393.297 where: short stacking energy: -177.121 Base-Backbone interact. energy: -0.085 local terms energy: -217.753938 where: bonds (distance) C4'-P energy: -47.619 bonds (distance) P-C4' energy: -56.709 flat angles C4'-P-C4' energy: -50.362 flat angles P-C4'-P energy: -27.416 tors. eta vs tors. theta energy: -35.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -434.710525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -434.710525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -434.710525 (E_RNA) where: Base-Base interactions energy: -243.651 where: short stacking energy: -128.580 Base-Backbone interact. energy: -0.920 local terms energy: -190.139247 where: bonds (distance) C4'-P energy: -51.680 bonds (distance) P-C4' energy: -57.924 flat angles C4'-P-C4' energy: -42.887 flat angles P-C4'-P energy: -31.051 tors. eta vs tors. theta energy: -6.598 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: 1, replica: 9 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -1160.990069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.990069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.990069 (E_RNA) where: Base-Base interactions energy: -810.249 where: short stacking energy: -336.586 Base-Backbone interact. energy: 0.127 local terms energy: -350.868414 where: bonds (distance) C4'-P energy: -68.810 bonds (distance) P-C4' energy: -65.991 flat angles C4'-P-C4' energy: -73.480 flat angles P-C4'-P energy: -43.423 tors. eta vs tors. theta energy: -99.164 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: 10 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -1150.702227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.702227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.702227 (E_RNA) where: Base-Base interactions energy: -795.772 where: short stacking energy: -343.793 Base-Backbone interact. energy: -3.585 local terms energy: -351.345456 where: bonds (distance) C4'-P energy: -74.548 bonds (distance) P-C4' energy: -58.456 flat angles C4'-P-C4' energy: -73.630 flat angles P-C4'-P energy: -44.675 tors. eta vs tors. theta energy: -100.037 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: 3, replica: 8 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -1068.277950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.277950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.277950 (E_RNA) where: Base-Base interactions energy: -745.441 where: short stacking energy: -320.899 Base-Backbone interact. energy: -0.391 local terms energy: -322.445717 where: bonds (distance) C4'-P energy: -59.441 bonds (distance) P-C4' energy: -58.200 flat angles C4'-P-C4' energy: -71.613 flat angles P-C4'-P energy: -38.833 tors. eta vs tors. theta energy: -94.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -1011.929719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.929719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.929719 (E_RNA) where: Base-Base interactions energy: -690.178 where: short stacking energy: -327.636 Base-Backbone interact. energy: 0.679 local terms energy: -322.430496 where: bonds (distance) C4'-P energy: -60.442 bonds (distance) P-C4' energy: -58.101 flat angles C4'-P-C4' energy: -64.986 flat angles P-C4'-P energy: -39.068 tors. eta vs tors. theta energy: -99.833 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: 3 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -850.038257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.038257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.038257 (E_RNA) where: Base-Base interactions energy: -556.888 where: short stacking energy: -240.099 Base-Backbone interact. energy: 0.349 local terms energy: -293.498310 where: bonds (distance) C4'-P energy: -60.877 bonds (distance) P-C4' energy: -64.877 flat angles C4'-P-C4' energy: -67.060 flat angles P-C4'-P energy: -45.598 tors. eta vs tors. theta energy: -55.086 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: 1 ===================================== Write number: 304 Temperature: 1.150000 Total energy: -864.120332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.120332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.120332 (E_RNA) where: Base-Base interactions energy: -570.045 where: short stacking energy: -253.999 Base-Backbone interact. energy: 2.368 local terms energy: -296.443913 where: bonds (distance) C4'-P energy: -45.402 bonds (distance) P-C4' energy: -68.672 flat angles C4'-P-C4' energy: -65.411 flat angles P-C4'-P energy: -38.888 tors. eta vs tors. theta energy: -78.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -692.718957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.718957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.718957 (E_RNA) where: Base-Base interactions energy: -422.408 where: short stacking energy: -190.501 Base-Backbone interact. energy: -1.508 local terms energy: -268.803370 where: bonds (distance) C4'-P energy: -64.418 bonds (distance) P-C4' energy: -69.343 flat angles C4'-P-C4' energy: -64.419 flat angles P-C4'-P energy: -39.505 tors. eta vs tors. theta energy: -31.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -578.215589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.215589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.215589 (E_RNA) where: Base-Base interactions energy: -354.682 where: short stacking energy: -170.602 Base-Backbone interact. energy: 0.939 local terms energy: -224.472943 where: bonds (distance) C4'-P energy: -67.657 bonds (distance) P-C4' energy: -49.641 flat angles C4'-P-C4' energy: -45.274 flat angles P-C4'-P energy: -32.904 tors. eta vs tors. theta energy: -28.997 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: 9, replica: 4 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -586.344327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.344327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.344327 (E_RNA) where: Base-Base interactions energy: -363.426 where: short stacking energy: -165.829 Base-Backbone interact. energy: -1.177 local terms energy: -221.741127 where: bonds (distance) C4'-P energy: -48.942 bonds (distance) P-C4' energy: -53.061 flat angles C4'-P-C4' energy: -54.417 flat angles P-C4'-P energy: -45.431 tors. eta vs tors. theta energy: -19.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -438.102654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.102654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.102654 (E_RNA) where: Base-Base interactions energy: -225.524 where: short stacking energy: -91.703 Base-Backbone interact. energy: 0.586 local terms energy: -213.164805 where: bonds (distance) C4'-P energy: -51.619 bonds (distance) P-C4' energy: -68.745 flat angles C4'-P-C4' energy: -53.348 flat angles P-C4'-P energy: -39.667 tors. eta vs tors. theta energy: 0.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -1172.940049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.940049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.940049 (E_RNA) where: Base-Base interactions energy: -822.450 where: short stacking energy: -357.139 Base-Backbone interact. energy: 1.036 local terms energy: -351.526392 where: bonds (distance) C4'-P energy: -63.847 bonds (distance) P-C4' energy: -68.152 flat angles C4'-P-C4' energy: -77.857 flat angles P-C4'-P energy: -48.422 tors. eta vs tors. theta energy: -93.249 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: 10 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -1148.194250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.194250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.194250 (E_RNA) where: Base-Base interactions energy: -801.252 where: short stacking energy: -325.267 Base-Backbone interact. energy: -0.196 local terms energy: -346.745799 where: bonds (distance) C4'-P energy: -60.371 bonds (distance) P-C4' energy: -66.446 flat angles C4'-P-C4' energy: -71.741 flat angles P-C4'-P energy: -46.592 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: 3, replica: 8 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -1083.817771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.817771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.817771 (E_RNA) where: Base-Base interactions energy: -758.913 where: short stacking energy: -329.441 Base-Backbone interact. energy: -1.882 local terms energy: -323.023464 where: bonds (distance) C4'-P energy: -55.682 bonds (distance) P-C4' energy: -54.555 flat angles C4'-P-C4' energy: -69.861 flat angles P-C4'-P energy: -48.438 tors. eta vs tors. theta energy: -94.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -1040.727704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.727704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.727704 (E_RNA) where: Base-Base interactions energy: -696.355 where: short stacking energy: -322.137 Base-Backbone interact. energy: -0.515 local terms energy: -343.857914 where: bonds (distance) C4'-P energy: -58.801 bonds (distance) P-C4' energy: -63.146 flat angles C4'-P-C4' energy: -72.816 flat angles P-C4'-P energy: -49.429 tors. eta vs tors. theta energy: -99.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -837.423750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.423750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.423750 (E_RNA) where: Base-Base interactions energy: -578.626 where: short stacking energy: -240.827 Base-Backbone interact. energy: 3.918 local terms energy: -262.715342 where: bonds (distance) C4'-P energy: -57.092 bonds (distance) P-C4' energy: -59.690 flat angles C4'-P-C4' energy: -60.001 flat angles P-C4'-P energy: -29.769 tors. eta vs tors. theta energy: -56.164 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: 305 Temperature: 1.150000 Total energy: -905.242490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.242490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.242490 (E_RNA) where: Base-Base interactions energy: -622.742 where: short stacking energy: -274.547 Base-Backbone interact. energy: 0.372 local terms energy: -282.871957 where: bonds (distance) C4'-P energy: -50.002 bonds (distance) P-C4' energy: -48.673 flat angles C4'-P-C4' energy: -60.141 flat angles P-C4'-P energy: -37.287 tors. eta vs tors. theta energy: -86.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -767.237715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.237715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.237715 (E_RNA) where: Base-Base interactions energy: -512.988 where: short stacking energy: -223.224 Base-Backbone interact. energy: -1.339 local terms energy: -252.911384 where: bonds (distance) C4'-P energy: -57.466 bonds (distance) P-C4' energy: -58.454 flat angles C4'-P-C4' energy: -56.496 flat angles P-C4'-P energy: -29.214 tors. eta vs tors. theta energy: -51.282 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: 4 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -623.772758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.772758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.772758 (E_RNA) where: Base-Base interactions energy: -385.302 where: short stacking energy: -172.636 Base-Backbone interact. energy: -1.822 local terms energy: -236.649047 where: bonds (distance) C4'-P energy: -45.847 bonds (distance) P-C4' energy: -63.463 flat angles C4'-P-C4' energy: -63.785 flat angles P-C4'-P energy: -28.758 tors. eta vs tors. theta energy: -34.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -592.823401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.823401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.823401 (E_RNA) where: Base-Base interactions energy: -370.247 where: short stacking energy: -191.200 Base-Backbone interact. energy: -1.142 local terms energy: -221.434706 where: bonds (distance) C4'-P energy: -44.315 bonds (distance) P-C4' energy: -53.690 flat angles C4'-P-C4' energy: -58.391 flat angles P-C4'-P energy: -28.569 tors. eta vs tors. theta energy: -36.469 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: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -433.066348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.066348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.066348 (E_RNA) where: Base-Base interactions energy: -235.907 where: short stacking energy: -130.362 Base-Backbone interact. energy: -1.329 local terms energy: -195.831115 where: bonds (distance) C4'-P energy: -38.770 bonds (distance) P-C4' energy: -58.335 flat angles C4'-P-C4' energy: -43.592 flat angles P-C4'-P energy: -41.702 tors. eta vs tors. theta energy: -13.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -1185.835418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.835418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.835418 (E_RNA) where: Base-Base interactions energy: -824.082 where: short stacking energy: -340.366 Base-Backbone interact. energy: -2.350 local terms energy: -359.403870 where: bonds (distance) C4'-P energy: -67.611 bonds (distance) P-C4' energy: -63.465 flat angles C4'-P-C4' energy: -75.893 flat angles P-C4'-P energy: -43.694 tors. eta vs tors. theta energy: -108.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -1158.462068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.462068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.462068 (E_RNA) where: Base-Base interactions energy: -803.106 where: short stacking energy: -340.334 Base-Backbone interact. energy: -3.846 local terms energy: -351.510710 where: bonds (distance) C4'-P energy: -64.231 bonds (distance) P-C4' energy: -57.729 flat angles C4'-P-C4' energy: -82.671 flat angles P-C4'-P energy: -51.709 tors. eta vs tors. theta energy: -95.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -1081.301502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.301502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.301502 (E_RNA) where: Base-Base interactions energy: -731.657 where: short stacking energy: -308.701 Base-Backbone interact. energy: -1.246 local terms energy: -348.398912 where: bonds (distance) C4'-P energy: -68.648 bonds (distance) P-C4' energy: -61.975 flat angles C4'-P-C4' energy: -70.724 flat angles P-C4'-P energy: -55.869 tors. eta vs tors. theta energy: -91.183 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: 6 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -1016.661852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.661852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.661852 (E_RNA) where: Base-Base interactions energy: -684.552 where: short stacking energy: -310.351 Base-Backbone interact. energy: -0.730 local terms energy: -331.379188 where: bonds (distance) C4'-P energy: -53.391 bonds (distance) P-C4' energy: -56.117 flat angles C4'-P-C4' energy: -80.510 flat angles P-C4'-P energy: -48.278 tors. eta vs tors. theta energy: -93.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -914.245436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.245436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.245436 (E_RNA) where: Base-Base interactions energy: -624.086 where: short stacking energy: -246.382 Base-Backbone interact. energy: -0.555 local terms energy: -289.605262 where: bonds (distance) C4'-P energy: -54.360 bonds (distance) P-C4' energy: -53.091 flat angles C4'-P-C4' energy: -64.674 flat angles P-C4'-P energy: -46.481 tors. eta vs tors. theta energy: -70.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -806.320437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.320437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.320437 (E_RNA) where: Base-Base interactions energy: -532.893 where: short stacking energy: -226.326 Base-Backbone interact. energy: 0.618 local terms energy: -274.045528 where: bonds (distance) C4'-P energy: -57.905 bonds (distance) P-C4' energy: -70.207 flat angles C4'-P-C4' energy: -54.815 flat angles P-C4'-P energy: -37.309 tors. eta vs tors. theta energy: -53.809 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: 5 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -749.423194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.423194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.423194 (E_RNA) where: Base-Base interactions energy: -487.173 where: short stacking energy: -225.851 Base-Backbone interact. energy: -1.320 local terms energy: -260.930705 where: bonds (distance) C4'-P energy: -59.790 bonds (distance) P-C4' energy: -53.732 flat angles C4'-P-C4' energy: -61.169 flat angles P-C4'-P energy: -27.929 tors. eta vs tors. theta energy: -58.310 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: 4 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -641.462592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.462592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.462592 (E_RNA) where: Base-Base interactions energy: -423.565 where: short stacking energy: -198.979 Base-Backbone interact. energy: -0.398 local terms energy: -217.498977 where: bonds (distance) C4'-P energy: -53.362 bonds (distance) P-C4' energy: -60.461 flat angles C4'-P-C4' energy: -42.924 flat angles P-C4'-P energy: -26.572 tors. eta vs tors. theta energy: -34.180 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: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -449.480172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.480172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.480172 (E_RNA) where: Base-Base interactions energy: -238.978 where: short stacking energy: -123.398 Base-Backbone interact. energy: 0.404 local terms energy: -210.905951 where: bonds (distance) C4'-P energy: -60.390 bonds (distance) P-C4' energy: -53.228 flat angles C4'-P-C4' energy: -55.289 flat angles P-C4'-P energy: -36.120 tors. eta vs tors. theta energy: -5.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -510.717276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.717276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.717276 (E_RNA) where: Base-Base interactions energy: -301.346 where: short stacking energy: -136.479 Base-Backbone interact. energy: -0.030 local terms energy: -209.340948 where: bonds (distance) C4'-P energy: -58.467 bonds (distance) P-C4' energy: -57.032 flat angles C4'-P-C4' energy: -59.005 flat angles P-C4'-P energy: -24.051 tors. eta vs tors. theta energy: -10.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -1190.535178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.535178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.535178 (E_RNA) where: Base-Base interactions energy: -837.949 where: short stacking energy: -359.207 Base-Backbone interact. energy: -0.937 local terms energy: -351.649573 where: bonds (distance) C4'-P energy: -57.724 bonds (distance) P-C4' energy: -63.445 flat angles C4'-P-C4' energy: -75.331 flat angles P-C4'-P energy: -49.566 tors. eta vs tors. theta energy: -105.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -1122.250681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.250681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.250681 (E_RNA) where: Base-Base interactions energy: -771.868 where: short stacking energy: -310.069 Base-Backbone interact. energy: -3.154 local terms energy: -347.228713 where: bonds (distance) C4'-P energy: -69.068 bonds (distance) P-C4' energy: -54.608 flat angles C4'-P-C4' energy: -71.815 flat angles P-C4'-P energy: -59.039 tors. eta vs tors. theta energy: -92.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -1089.927947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.927947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.927947 (E_RNA) where: Base-Base interactions energy: -736.919 where: short stacking energy: -315.833 Base-Backbone interact. energy: 0.927 local terms energy: -353.936160 where: bonds (distance) C4'-P energy: -72.688 bonds (distance) P-C4' energy: -68.848 flat angles C4'-P-C4' energy: -71.641 flat angles P-C4'-P energy: -41.390 tors. eta vs tors. theta energy: -99.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -1032.805928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.805928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.805928 (E_RNA) where: Base-Base interactions energy: -699.946 where: short stacking energy: -310.085 Base-Backbone interact. energy: -0.583 local terms energy: -332.276531 where: bonds (distance) C4'-P energy: -53.266 bonds (distance) P-C4' energy: -66.219 flat angles C4'-P-C4' energy: -69.835 flat angles P-C4'-P energy: -47.904 tors. eta vs tors. theta energy: -95.053 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: 1 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -923.415694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.415694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.415694 (E_RNA) where: Base-Base interactions energy: -616.528 where: short stacking energy: -281.907 Base-Backbone interact. energy: -2.116 local terms energy: -304.771569 where: bonds (distance) C4'-P energy: -49.317 bonds (distance) P-C4' energy: -63.977 flat angles C4'-P-C4' energy: -67.114 flat angles P-C4'-P energy: -47.828 tors. eta vs tors. theta energy: -76.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -808.501301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.501301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.501301 (E_RNA) where: Base-Base interactions energy: -537.077 where: short stacking energy: -238.182 Base-Backbone interact. energy: -2.727 local terms energy: -268.697198 where: bonds (distance) C4'-P energy: -60.862 bonds (distance) P-C4' energy: -63.521 flat angles C4'-P-C4' energy: -64.016 flat angles P-C4'-P energy: -30.174 tors. eta vs tors. theta energy: -50.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -724.755925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.755925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.755925 (E_RNA) where: Base-Base interactions energy: -471.900 where: short stacking energy: -211.933 Base-Backbone interact. energy: 2.162 local terms energy: -255.017771 where: bonds (distance) C4'-P energy: -56.132 bonds (distance) P-C4' energy: -66.821 flat angles C4'-P-C4' energy: -67.818 flat angles P-C4'-P energy: -15.997 tors. eta vs tors. theta energy: -48.249 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: 4 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -609.097347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.097347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.097347 (E_RNA) where: Base-Base interactions energy: -379.055 where: short stacking energy: -164.967 Base-Backbone interact. energy: 0.281 local terms energy: -230.323362 where: bonds (distance) C4'-P energy: -59.340 bonds (distance) P-C4' energy: -54.492 flat angles C4'-P-C4' energy: -55.384 flat angles P-C4'-P energy: -34.921 tors. eta vs tors. theta energy: -26.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -469.336854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.336854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.336854 (E_RNA) where: Base-Base interactions energy: -234.597 where: short stacking energy: -134.711 Base-Backbone interact. energy: -0.679 local terms energy: -234.060970 where: bonds (distance) C4'-P energy: -61.054 bonds (distance) P-C4' energy: -65.199 flat angles C4'-P-C4' energy: -59.390 flat angles P-C4'-P energy: -37.635 tors. eta vs tors. theta energy: -10.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -524.809776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -524.809776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -524.809776 (E_RNA) where: Base-Base interactions energy: -327.808 where: short stacking energy: -136.026 Base-Backbone interact. energy: -0.843 local terms energy: -196.159400 where: bonds (distance) C4'-P energy: -52.746 bonds (distance) P-C4' energy: -50.844 flat angles C4'-P-C4' energy: -58.028 flat angles P-C4'-P energy: -28.956 tors. eta vs tors. theta energy: -5.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -1173.560168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.560168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.560168 (E_RNA) where: Base-Base interactions energy: -822.497 where: short stacking energy: -339.850 Base-Backbone interact. energy: -4.131 local terms energy: -346.932187 where: bonds (distance) C4'-P energy: -59.375 bonds (distance) P-C4' energy: -62.058 flat angles C4'-P-C4' energy: -76.393 flat angles P-C4'-P energy: -43.944 tors. eta vs tors. theta energy: -105.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -1148.285606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.285606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.285606 (E_RNA) where: Base-Base interactions energy: -794.831 where: short stacking energy: -334.398 Base-Backbone interact. energy: -1.039 local terms energy: -352.415083 where: bonds (distance) C4'-P energy: -66.247 bonds (distance) P-C4' energy: -72.074 flat angles C4'-P-C4' energy: -78.960 flat angles P-C4'-P energy: -44.533 tors. eta vs tors. theta energy: -90.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -1114.454715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.454715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.454715 (E_RNA) where: Base-Base interactions energy: -775.122 where: short stacking energy: -324.245 Base-Backbone interact. energy: -0.571 local terms energy: -338.761588 where: bonds (distance) C4'-P energy: -58.029 bonds (distance) P-C4' energy: -59.291 flat angles C4'-P-C4' energy: -76.005 flat angles P-C4'-P energy: -53.222 tors. eta vs tors. theta energy: -92.216 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: 4, replica: 6 ===================================== Write number: 308 Temperature: 1.050000 Total energy: -1010.201806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.201806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.201806 (E_RNA) where: Base-Base interactions energy: -684.004 where: short stacking energy: -306.254 Base-Backbone interact. energy: -0.210 local terms energy: -325.987871 where: bonds (distance) C4'-P energy: -60.212 bonds (distance) P-C4' energy: -61.826 flat angles C4'-P-C4' energy: -58.338 flat angles P-C4'-P energy: -48.852 tors. eta vs tors. theta energy: -96.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -917.791964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -917.791964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -917.791964 (E_RNA) where: Base-Base interactions energy: -613.341 where: short stacking energy: -280.972 Base-Backbone interact. energy: -0.823 local terms energy: -303.627875 where: bonds (distance) C4'-P energy: -53.391 bonds (distance) P-C4' energy: -57.787 flat angles C4'-P-C4' energy: -61.462 flat angles P-C4'-P energy: -47.988 tors. eta vs tors. theta energy: -83.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -795.001037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.001037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.001037 (E_RNA) where: Base-Base interactions energy: -530.189 where: short stacking energy: -238.844 Base-Backbone interact. energy: -1.361 local terms energy: -263.451287 where: bonds (distance) C4'-P energy: -44.197 bonds (distance) P-C4' energy: -52.998 flat angles C4'-P-C4' energy: -63.630 flat angles P-C4'-P energy: -40.165 tors. eta vs tors. theta energy: -62.461 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: 5 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -806.840324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.840324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.840324 (E_RNA) where: Base-Base interactions energy: -532.427 where: short stacking energy: -236.708 Base-Backbone interact. energy: -0.186 local terms energy: -274.227545 where: bonds (distance) C4'-P energy: -53.716 bonds (distance) P-C4' energy: -64.955 flat angles C4'-P-C4' energy: -58.992 flat angles P-C4'-P energy: -34.247 tors. eta vs tors. theta energy: -62.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -602.020478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.020478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.020478 (E_RNA) where: Base-Base interactions energy: -368.716 where: short stacking energy: -172.829 Base-Backbone interact. energy: 0.116 local terms energy: -233.420035 where: bonds (distance) C4'-P energy: -59.464 bonds (distance) P-C4' energy: -57.875 flat angles C4'-P-C4' energy: -54.352 flat angles P-C4'-P energy: -33.016 tors. eta vs tors. theta energy: -28.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -539.564393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.564393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.564393 (E_RNA) where: Base-Base interactions energy: -333.915 where: short stacking energy: -161.031 Base-Backbone interact. energy: -0.558 local terms energy: -205.092274 where: bonds (distance) C4'-P energy: -39.590 bonds (distance) P-C4' energy: -59.277 flat angles C4'-P-C4' energy: -45.616 flat angles P-C4'-P energy: -34.319 tors. eta vs tors. theta energy: -26.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -424.983857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.983857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.983857 (E_RNA) where: Base-Base interactions energy: -220.060 where: short stacking energy: -123.692 Base-Backbone interact. energy: -0.355 local terms energy: -204.569303 where: bonds (distance) C4'-P energy: -57.853 bonds (distance) P-C4' energy: -50.647 flat angles C4'-P-C4' energy: -49.743 flat angles P-C4'-P energy: -35.593 tors. eta vs tors. theta energy: -10.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -1188.316655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.316655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.316655 (E_RNA) where: Base-Base interactions energy: -830.787 where: short stacking energy: -340.656 Base-Backbone interact. energy: -2.507 local terms energy: -355.022772 where: bonds (distance) C4'-P energy: -65.323 bonds (distance) P-C4' energy: -61.436 flat angles C4'-P-C4' energy: -78.303 flat angles P-C4'-P energy: -47.568 tors. eta vs tors. theta energy: -102.392 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: 9 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -1160.756281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.756281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.756281 (E_RNA) where: Base-Base interactions energy: -807.419 where: short stacking energy: -325.292 Base-Backbone interact. energy: -2.200 local terms energy: -351.137448 where: bonds (distance) C4'-P energy: -55.367 bonds (distance) P-C4' energy: -66.424 flat angles C4'-P-C4' energy: -84.184 flat angles P-C4'-P energy: -53.687 tors. eta vs tors. theta energy: -91.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -1086.976689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.976689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.976689 (E_RNA) where: Base-Base interactions energy: -748.478 where: short stacking energy: -316.464 Base-Backbone interact. energy: 1.726 local terms energy: -340.224030 where: bonds (distance) C4'-P energy: -68.875 bonds (distance) P-C4' energy: -62.641 flat angles C4'-P-C4' energy: -68.415 flat angles P-C4'-P energy: -50.336 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: 4, replica: 6 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -1038.659708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1038.659708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1038.659708 (E_RNA) where: Base-Base interactions energy: -706.468 where: short stacking energy: -302.609 Base-Backbone interact. energy: -0.762 local terms energy: -331.429103 where: bonds (distance) C4'-P energy: -60.599 bonds (distance) P-C4' energy: -63.847 flat angles C4'-P-C4' energy: -70.296 flat angles P-C4'-P energy: -43.876 tors. eta vs tors. theta energy: -92.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -938.268148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.268148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.268148 (E_RNA) where: Base-Base interactions energy: -636.465 where: short stacking energy: -268.026 Base-Backbone interact. energy: -2.014 local terms energy: -299.788613 where: bonds (distance) C4'-P energy: -58.703 bonds (distance) P-C4' energy: -57.861 flat angles C4'-P-C4' energy: -63.498 flat angles P-C4'-P energy: -44.112 tors. eta vs tors. theta energy: -75.615 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: 5 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -826.856611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.856611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.856611 (E_RNA) where: Base-Base interactions energy: -567.041 where: short stacking energy: -244.118 Base-Backbone interact. energy: -0.545 local terms energy: -259.270904 where: bonds (distance) C4'-P energy: -35.136 bonds (distance) P-C4' energy: -59.157 flat angles C4'-P-C4' energy: -68.585 flat angles P-C4'-P energy: -38.918 tors. eta vs tors. theta energy: -57.475 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: 3 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -783.304560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.304560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.304560 (E_RNA) where: Base-Base interactions energy: -521.060 where: short stacking energy: -216.172 Base-Backbone interact. energy: -0.593 local terms energy: -261.651430 where: bonds (distance) C4'-P energy: -52.900 bonds (distance) P-C4' energy: -56.278 flat angles C4'-P-C4' energy: -58.954 flat angles P-C4'-P energy: -45.148 tors. eta vs tors. theta energy: -48.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -620.963916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.963916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.963916 (E_RNA) where: Base-Base interactions energy: -381.682 where: short stacking energy: -169.891 Base-Backbone interact. energy: -1.467 local terms energy: -237.814978 where: bonds (distance) C4'-P energy: -45.665 bonds (distance) P-C4' energy: -59.170 flat angles C4'-P-C4' energy: -56.970 flat angles P-C4'-P energy: -37.473 tors. eta vs tors. theta energy: -38.537 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: 309 Temperature: 1.300000 Total energy: -571.690315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.690315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.690315 (E_RNA) where: Base-Base interactions energy: -364.494 where: short stacking energy: -181.906 Base-Backbone interact. energy: 0.548 local terms energy: -207.743641 where: bonds (distance) C4'-P energy: -50.924 bonds (distance) P-C4' energy: -61.722 flat angles C4'-P-C4' energy: -45.638 flat angles P-C4'-P energy: -16.413 tors. eta vs tors. theta energy: -33.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -415.914917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.914917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.914917 (E_RNA) where: Base-Base interactions energy: -229.523 where: short stacking energy: -121.932 Base-Backbone interact. energy: -1.236 local terms energy: -185.155321 where: bonds (distance) C4'-P energy: -36.598 bonds (distance) P-C4' energy: -39.260 flat angles C4'-P-C4' energy: -52.006 flat angles P-C4'-P energy: -36.846 tors. eta vs tors. theta energy: -20.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -1177.698259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.698259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.698259 (E_RNA) where: Base-Base interactions energy: -806.082 where: short stacking energy: -343.337 Base-Backbone interact. energy: -2.711 local terms energy: -368.905017 where: bonds (distance) C4'-P energy: -67.922 bonds (distance) P-C4' energy: -66.081 flat angles C4'-P-C4' energy: -77.402 flat angles P-C4'-P energy: -50.700 tors. eta vs tors. theta energy: -106.801 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: 9 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -1144.615101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.615101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.615101 (E_RNA) where: Base-Base interactions energy: -800.535 where: short stacking energy: -323.690 Base-Backbone interact. energy: -1.062 local terms energy: -343.018052 where: bonds (distance) C4'-P energy: -60.478 bonds (distance) P-C4' energy: -68.609 flat angles C4'-P-C4' energy: -70.780 flat angles P-C4'-P energy: -49.646 tors. eta vs tors. theta energy: -93.505 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: 310 Temperature: 1.000000 Total energy: -1059.530469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1059.530469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1059.530469 (E_RNA) where: Base-Base interactions energy: -726.789 where: short stacking energy: -314.002 Base-Backbone interact. energy: -0.354 local terms energy: -332.387786 where: bonds (distance) C4'-P energy: -61.536 bonds (distance) P-C4' energy: -65.343 flat angles C4'-P-C4' energy: -71.242 flat angles P-C4'-P energy: -44.711 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: 4, replica: 6 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -1020.996152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.996152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.996152 (E_RNA) where: Base-Base interactions energy: -697.154 where: short stacking energy: -307.919 Base-Backbone interact. energy: -0.705 local terms energy: -323.136490 where: bonds (distance) C4'-P energy: -57.009 bonds (distance) P-C4' energy: -52.718 flat angles C4'-P-C4' energy: -80.939 flat angles P-C4'-P energy: -39.976 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: 5, replica: 1 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -937.479642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.479642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.479642 (E_RNA) where: Base-Base interactions energy: -625.092 where: short stacking energy: -262.714 Base-Backbone interact. energy: 0.517 local terms energy: -312.903758 where: bonds (distance) C4'-P energy: -63.977 bonds (distance) P-C4' energy: -63.753 flat angles C4'-P-C4' energy: -73.139 flat angles P-C4'-P energy: -32.708 tors. eta vs tors. theta energy: -79.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -823.743442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.743442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.743442 (E_RNA) where: Base-Base interactions energy: -559.888 where: short stacking energy: -228.856 Base-Backbone interact. energy: -0.535 local terms energy: -263.319819 where: bonds (distance) C4'-P energy: -55.073 bonds (distance) P-C4' energy: -56.739 flat angles C4'-P-C4' energy: -57.124 flat angles P-C4'-P energy: -38.992 tors. eta vs tors. theta energy: -55.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -785.729044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.729044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.729044 (E_RNA) where: Base-Base interactions energy: -522.451 where: short stacking energy: -233.134 Base-Backbone interact. energy: 0.501 local terms energy: -263.778957 where: bonds (distance) C4'-P energy: -54.558 bonds (distance) P-C4' energy: -49.257 flat angles C4'-P-C4' energy: -62.487 flat angles P-C4'-P energy: -40.918 tors. eta vs tors. theta energy: -56.560 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: 4 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -640.550829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.550829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.550829 (E_RNA) where: Base-Base interactions energy: -404.610 where: short stacking energy: -170.684 Base-Backbone interact. energy: -1.040 local terms energy: -234.901015 where: bonds (distance) C4'-P energy: -52.876 bonds (distance) P-C4' energy: -60.125 flat angles C4'-P-C4' energy: -59.260 flat angles P-C4'-P energy: -28.743 tors. eta vs tors. theta energy: -33.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -514.727119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -514.727119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -514.727119 (E_RNA) where: Base-Base interactions energy: -291.954 where: short stacking energy: -143.354 Base-Backbone interact. energy: -0.637 local terms energy: -222.135362 where: bonds (distance) C4'-P energy: -55.468 bonds (distance) P-C4' energy: -61.474 flat angles C4'-P-C4' energy: -56.905 flat angles P-C4'-P energy: -37.366 tors. eta vs tors. theta energy: -10.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -400.575196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.575196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.575196 (E_RNA) where: Base-Base interactions energy: -213.398 where: short stacking energy: -120.807 Base-Backbone interact. energy: -0.996 local terms energy: -186.180435 where: bonds (distance) C4'-P energy: -51.095 bonds (distance) P-C4' energy: -52.184 flat angles C4'-P-C4' energy: -47.394 flat angles P-C4'-P energy: -39.381 tors. eta vs tors. theta energy: 3.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -1166.728076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.728076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.728076 (E_RNA) where: Base-Base interactions energy: -808.746 where: short stacking energy: -332.954 Base-Backbone interact. energy: 0.901 local terms energy: -358.882484 where: bonds (distance) C4'-P energy: -62.539 bonds (distance) P-C4' energy: -73.209 flat angles C4'-P-C4' energy: -73.103 flat angles P-C4'-P energy: -45.555 tors. eta vs tors. theta energy: -104.476 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: 9 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -1124.557545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.557545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.557545 (E_RNA) where: Base-Base interactions energy: -778.333 where: short stacking energy: -328.678 Base-Backbone interact. energy: -1.799 local terms energy: -344.425256 where: bonds (distance) C4'-P energy: -70.542 bonds (distance) P-C4' energy: -57.841 flat angles C4'-P-C4' energy: -70.565 flat angles P-C4'-P energy: -52.325 tors. eta vs tors. theta energy: -93.152 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: 3, replica: 8 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -1083.885740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1083.885740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1083.885740 (E_RNA) where: Base-Base interactions energy: -735.250 where: short stacking energy: -311.215 Base-Backbone interact. energy: -3.468 local terms energy: -345.168402 where: bonds (distance) C4'-P energy: -58.918 bonds (distance) P-C4' energy: -60.064 flat angles C4'-P-C4' energy: -76.952 flat angles P-C4'-P energy: -57.693 tors. eta vs tors. theta energy: -91.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -1028.799808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.799808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.799808 (E_RNA) where: Base-Base interactions energy: -681.957 where: short stacking energy: -313.367 Base-Backbone interact. energy: -0.751 local terms energy: -346.091441 where: bonds (distance) C4'-P energy: -68.775 bonds (distance) P-C4' energy: -61.080 flat angles C4'-P-C4' energy: -62.151 flat angles P-C4'-P energy: -49.626 tors. eta vs tors. theta energy: -104.460 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: 1 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -925.709773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.709773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.709773 (E_RNA) where: Base-Base interactions energy: -646.456 where: short stacking energy: -288.038 Base-Backbone interact. energy: -0.558 local terms energy: -278.696038 where: bonds (distance) C4'-P energy: -46.307 bonds (distance) P-C4' energy: -54.199 flat angles C4'-P-C4' energy: -70.252 flat angles P-C4'-P energy: -36.354 tors. eta vs tors. theta energy: -71.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -818.046969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -818.046969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -818.046969 (E_RNA) where: Base-Base interactions energy: -532.660 where: short stacking energy: -234.214 Base-Backbone interact. energy: -2.360 local terms energy: -283.026909 where: bonds (distance) C4'-P energy: -47.467 bonds (distance) P-C4' energy: -61.516 flat angles C4'-P-C4' energy: -67.087 flat angles P-C4'-P energy: -45.157 tors. eta vs tors. theta energy: -61.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -802.420838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.420838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.420838 (E_RNA) where: Base-Base interactions energy: -531.354 where: short stacking energy: -237.324 Base-Backbone interact. energy: -0.204 local terms energy: -270.862534 where: bonds (distance) C4'-P energy: -55.230 bonds (distance) P-C4' energy: -66.806 flat angles C4'-P-C4' energy: -47.814 flat angles P-C4'-P energy: -44.733 tors. eta vs tors. theta energy: -56.280 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: 4 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -638.659227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -638.659227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -638.659227 (E_RNA) where: Base-Base interactions energy: -372.856 where: short stacking energy: -169.921 Base-Backbone interact. energy: -0.701 local terms energy: -265.102021 where: bonds (distance) C4'-P energy: -70.712 bonds (distance) P-C4' energy: -58.584 flat angles C4'-P-C4' energy: -52.360 flat angles P-C4'-P energy: -43.706 tors. eta vs tors. theta energy: -39.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -513.049290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -513.049290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -513.049290 (E_RNA) where: Base-Base interactions energy: -302.013 where: short stacking energy: -134.705 Base-Backbone interact. energy: -1.550 local terms energy: -209.485532 where: bonds (distance) C4'-P energy: -55.176 bonds (distance) P-C4' energy: -56.238 flat angles C4'-P-C4' energy: -47.159 flat angles P-C4'-P energy: -32.124 tors. eta vs tors. theta energy: -18.788 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: 10, replica: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -419.678433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.678433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.678433 (E_RNA) where: Base-Base interactions energy: -211.478 where: short stacking energy: -103.698 Base-Backbone interact. energy: 0.046 local terms energy: -208.246393 where: bonds (distance) C4'-P energy: -55.519 bonds (distance) P-C4' energy: -66.240 flat angles C4'-P-C4' energy: -55.615 flat angles P-C4'-P energy: -29.504 tors. eta vs tors. theta energy: -1.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 312 Temperature: 0.900000 Total energy: -1198.845522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.845522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.845522 (E_RNA) where: Base-Base interactions energy: -847.955 where: short stacking energy: -353.108 Base-Backbone interact. energy: -0.834 local terms energy: -350.057010 where: bonds (distance) C4'-P energy: -63.479 bonds (distance) P-C4' energy: -68.557 flat angles C4'-P-C4' energy: -64.969 flat angles P-C4'-P energy: -49.833 tors. eta vs tors. theta energy: -103.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -1115.825210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.825210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.825210 (E_RNA) where: Base-Base interactions energy: -767.425 where: short stacking energy: -310.084 Base-Backbone interact. energy: -0.666 local terms energy: -347.734503 where: bonds (distance) C4'-P energy: -66.709 bonds (distance) P-C4' energy: -70.208 flat angles C4'-P-C4' energy: -70.509 flat angles P-C4'-P energy: -50.356 tors. eta vs tors. theta energy: -89.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -1086.649886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.649886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.649886 (E_RNA) where: Base-Base interactions energy: -765.123 where: short stacking energy: -334.699 Base-Backbone interact. energy: -0.789 local terms energy: -320.737199 where: bonds (distance) C4'-P energy: -60.841 bonds (distance) P-C4' energy: -49.521 flat angles C4'-P-C4' energy: -72.095 flat angles P-C4'-P energy: -39.418 tors. eta vs tors. theta energy: -98.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -1003.651804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.651804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.651804 (E_RNA) where: Base-Base interactions energy: -671.102 where: short stacking energy: -306.671 Base-Backbone interact. energy: -1.285 local terms energy: -331.265173 where: bonds (distance) C4'-P energy: -54.757 bonds (distance) P-C4' energy: -63.389 flat angles C4'-P-C4' energy: -70.084 flat angles P-C4'-P energy: -44.305 tors. eta vs tors. theta energy: -98.730 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: 1 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -929.604555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.604555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.604555 (E_RNA) where: Base-Base interactions energy: -621.530 where: short stacking energy: -273.838 Base-Backbone interact. energy: -1.610 local terms energy: -306.463933 where: bonds (distance) C4'-P energy: -55.477 bonds (distance) P-C4' energy: -62.661 flat angles C4'-P-C4' energy: -67.828 flat angles P-C4'-P energy: -46.653 tors. eta vs tors. theta energy: -73.845 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: 6, replica: 5 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -824.588697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.588697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.588697 (E_RNA) where: Base-Base interactions energy: -532.825 where: short stacking energy: -248.650 Base-Backbone interact. energy: -2.295 local terms energy: -289.467843 where: bonds (distance) C4'-P energy: -64.465 bonds (distance) P-C4' energy: -50.595 flat angles C4'-P-C4' energy: -61.809 flat angles P-C4'-P energy: -41.731 tors. eta vs tors. theta energy: -70.867 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: 7, replica: 3 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -726.847262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.847262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.847262 (E_RNA) where: Base-Base interactions energy: -460.652 where: short stacking energy: -188.720 Base-Backbone interact. energy: -1.256 local terms energy: -264.938760 where: bonds (distance) C4'-P energy: -59.159 bonds (distance) P-C4' energy: -66.598 flat angles C4'-P-C4' energy: -57.141 flat angles P-C4'-P energy: -44.714 tors. eta vs tors. theta energy: -37.327 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: 8, replica: 4 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -625.650797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.650797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.650797 (E_RNA) where: Base-Base interactions energy: -382.971 where: short stacking energy: -162.759 Base-Backbone interact. energy: -0.545 local terms energy: -242.134969 where: bonds (distance) C4'-P energy: -60.073 bonds (distance) P-C4' energy: -55.013 flat angles C4'-P-C4' energy: -58.814 flat angles P-C4'-P energy: -39.716 tors. eta vs tors. theta energy: -28.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -526.135383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -526.135383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -526.135383 (E_RNA) where: Base-Base interactions energy: -294.342 where: short stacking energy: -135.492 Base-Backbone interact. energy: -0.650 local terms energy: -231.143226 where: bonds (distance) C4'-P energy: -53.130 bonds (distance) P-C4' energy: -56.484 flat angles C4'-P-C4' energy: -61.332 flat angles P-C4'-P energy: -40.821 tors. eta vs tors. theta energy: -19.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -427.566322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.566322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.566322 (E_RNA) where: Base-Base interactions energy: -213.452 where: short stacking energy: -139.220 Base-Backbone interact. energy: -0.090 local terms energy: -214.024029 where: bonds (distance) C4'-P energy: -57.602 bonds (distance) P-C4' energy: -60.871 flat angles C4'-P-C4' energy: -59.242 flat angles P-C4'-P energy: -27.985 tors. eta vs tors. theta energy: -8.324 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: 10 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -1178.787839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.787839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.787839 (E_RNA) where: Base-Base interactions energy: -825.886 where: short stacking energy: -340.140 Base-Backbone interact. energy: -3.569 local terms energy: -349.332944 where: bonds (distance) C4'-P energy: -61.355 bonds (distance) P-C4' energy: -67.500 flat angles C4'-P-C4' energy: -67.545 flat angles P-C4'-P energy: -46.362 tors. eta vs tors. theta energy: -106.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -1141.817840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.817840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.817840 (E_RNA) where: Base-Base interactions energy: -791.187 where: short stacking energy: -319.081 Base-Backbone interact. energy: -1.712 local terms energy: -348.918977 where: bonds (distance) C4'-P energy: -70.378 bonds (distance) P-C4' energy: -56.684 flat angles C4'-P-C4' energy: -75.771 flat angles P-C4'-P energy: -51.301 tors. eta vs tors. theta energy: -94.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -1089.147928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.147928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.147928 (E_RNA) where: Base-Base interactions energy: -751.153 where: short stacking energy: -313.394 Base-Backbone interact. energy: -0.128 local terms energy: -337.866884 where: bonds (distance) C4'-P energy: -57.986 bonds (distance) P-C4' energy: -69.008 flat angles C4'-P-C4' energy: -72.131 flat angles P-C4'-P energy: -40.524 tors. eta vs tors. theta energy: -98.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -1025.552814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.552814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.552814 (E_RNA) where: Base-Base interactions energy: -692.629 where: short stacking energy: -317.187 Base-Backbone interact. energy: -1.053 local terms energy: -331.871219 where: bonds (distance) C4'-P energy: -56.139 bonds (distance) P-C4' energy: -49.836 flat angles C4'-P-C4' energy: -75.233 flat angles P-C4'-P energy: -56.369 tors. eta vs tors. theta energy: -94.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -955.486812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.486812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.486812 (E_RNA) where: Base-Base interactions energy: -637.025 where: short stacking energy: -278.035 Base-Backbone interact. energy: -2.067 local terms energy: -316.394779 where: bonds (distance) C4'-P energy: -63.342 bonds (distance) P-C4' energy: -69.557 flat angles C4'-P-C4' energy: -65.645 flat angles P-C4'-P energy: -48.058 tors. eta vs tors. theta energy: -69.793 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: 5 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -872.039682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -872.039682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -872.039682 (E_RNA) where: Base-Base interactions energy: -565.996 where: short stacking energy: -246.136 Base-Backbone interact. energy: -2.032 local terms energy: -304.012073 where: bonds (distance) C4'-P energy: -61.269 bonds (distance) P-C4' energy: -60.258 flat angles C4'-P-C4' energy: -68.277 flat angles P-C4'-P energy: -51.600 tors. eta vs tors. theta energy: -62.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -757.665755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.665755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.665755 (E_RNA) where: Base-Base interactions energy: -505.406 where: short stacking energy: -218.161 Base-Backbone interact. energy: 5.001 local terms energy: -257.260149 where: bonds (distance) C4'-P energy: -56.883 bonds (distance) P-C4' energy: -45.187 flat angles C4'-P-C4' energy: -72.664 flat angles P-C4'-P energy: -33.299 tors. eta vs tors. theta energy: -49.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -646.663721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.663721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.663721 (E_RNA) where: Base-Base interactions energy: -391.586 where: short stacking energy: -177.496 Base-Backbone interact. energy: -3.276 local terms energy: -251.801621 where: bonds (distance) C4'-P energy: -59.540 bonds (distance) P-C4' energy: -65.016 flat angles C4'-P-C4' energy: -59.797 flat angles P-C4'-P energy: -43.762 tors. eta vs tors. theta energy: -23.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -473.680045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.680045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.680045 (E_RNA) where: Base-Base interactions energy: -260.322 where: short stacking energy: -125.651 Base-Backbone interact. energy: -0.608 local terms energy: -212.749474 where: bonds (distance) C4'-P energy: -55.937 bonds (distance) P-C4' energy: -57.279 flat angles C4'-P-C4' energy: -53.948 flat angles P-C4'-P energy: -33.711 tors. eta vs tors. theta energy: -11.874 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: 7 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -421.980787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.980787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.980787 (E_RNA) where: Base-Base interactions energy: -220.020 where: short stacking energy: -119.398 Base-Backbone interact. energy: -0.382 local terms energy: -201.578775 where: bonds (distance) C4'-P energy: -55.577 bonds (distance) P-C4' energy: -47.475 flat angles C4'-P-C4' energy: -48.439 flat angles P-C4'-P energy: -27.881 tors. eta vs tors. theta energy: -22.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -1172.341126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.341126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.341126 (E_RNA) where: Base-Base interactions energy: -818.717 where: short stacking energy: -330.670 Base-Backbone interact. energy: -2.324 local terms energy: -351.299908 where: bonds (distance) C4'-P energy: -72.614 bonds (distance) P-C4' energy: -65.308 flat angles C4'-P-C4' energy: -63.753 flat angles P-C4'-P energy: -47.510 tors. eta vs tors. theta energy: -102.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -1129.764992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.764992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.764992 (E_RNA) where: Base-Base interactions energy: -786.474 where: short stacking energy: -334.210 Base-Backbone interact. energy: 0.168 local terms energy: -343.458413 where: bonds (distance) C4'-P energy: -62.080 bonds (distance) P-C4' energy: -62.707 flat angles C4'-P-C4' energy: -72.438 flat angles P-C4'-P energy: -55.486 tors. eta vs tors. theta energy: -90.747 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: 314 Temperature: 1.000000 Total energy: -1088.194385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.194385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.194385 (E_RNA) where: Base-Base interactions energy: -750.756 where: short stacking energy: -318.378 Base-Backbone interact. energy: -1.215 local terms energy: -336.222886 where: bonds (distance) C4'-P energy: -45.515 bonds (distance) P-C4' energy: -73.053 flat angles C4'-P-C4' energy: -72.871 flat angles P-C4'-P energy: -49.922 tors. eta vs tors. theta energy: -94.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -1013.303715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.303715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.303715 (E_RNA) where: Base-Base interactions energy: -687.869 where: short stacking energy: -286.169 Base-Backbone interact. energy: -0.190 local terms energy: -325.244755 where: bonds (distance) C4'-P energy: -56.683 bonds (distance) P-C4' energy: -64.438 flat angles C4'-P-C4' energy: -67.495 flat angles P-C4'-P energy: -47.086 tors. eta vs tors. theta energy: -89.543 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: 1 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -926.123767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.123767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.123767 (E_RNA) where: Base-Base interactions energy: -618.348 where: short stacking energy: -266.034 Base-Backbone interact. energy: 2.151 local terms energy: -309.927440 where: bonds (distance) C4'-P energy: -54.127 bonds (distance) P-C4' energy: -63.441 flat angles C4'-P-C4' energy: -68.817 flat angles P-C4'-P energy: -41.321 tors. eta vs tors. theta energy: -82.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -912.455979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.455979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.455979 (E_RNA) where: Base-Base interactions energy: -598.518 where: short stacking energy: -245.987 Base-Backbone interact. energy: -2.206 local terms energy: -311.731304 where: bonds (distance) C4'-P energy: -58.360 bonds (distance) P-C4' energy: -70.659 flat angles C4'-P-C4' energy: -66.157 flat angles P-C4'-P energy: -42.026 tors. eta vs tors. theta energy: -74.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -779.192513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -779.192513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -779.192513 (E_RNA) where: Base-Base interactions energy: -534.752 where: short stacking energy: -232.498 Base-Backbone interact. energy: 1.007 local terms energy: -245.446991 where: bonds (distance) C4'-P energy: -49.486 bonds (distance) P-C4' energy: -58.072 flat angles C4'-P-C4' energy: -56.329 flat angles P-C4'-P energy: -33.983 tors. eta vs tors. theta energy: -47.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -603.954987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.954987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.954987 (E_RNA) where: Base-Base interactions energy: -378.745 where: short stacking energy: -168.369 Base-Backbone interact. energy: -0.917 local terms energy: -224.292478 where: bonds (distance) C4'-P energy: -44.263 bonds (distance) P-C4' energy: -56.177 flat angles C4'-P-C4' energy: -52.034 flat angles P-C4'-P energy: -41.222 tors. eta vs tors. theta energy: -30.596 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: 2 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -573.531202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.531202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.531202 (E_RNA) where: Base-Base interactions energy: -354.814 where: short stacking energy: -169.373 Base-Backbone interact. energy: 1.191 local terms energy: -219.907902 where: bonds (distance) C4'-P energy: -53.299 bonds (distance) P-C4' energy: -62.495 flat angles C4'-P-C4' energy: -54.652 flat angles P-C4'-P energy: -27.586 tors. eta vs tors. theta energy: -21.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -391.669839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.669839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.669839 (E_RNA) where: Base-Base interactions energy: -187.331 where: short stacking energy: -103.166 Base-Backbone interact. energy: -0.268 local terms energy: -204.071075 where: bonds (distance) C4'-P energy: -65.785 bonds (distance) P-C4' energy: -49.461 flat angles C4'-P-C4' energy: -51.245 flat angles P-C4'-P energy: -43.689 tors. eta vs tors. theta energy: 6.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -1189.017956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.017956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.017956 (E_RNA) where: Base-Base interactions energy: -823.761 where: short stacking energy: -342.620 Base-Backbone interact. energy: -2.980 local terms energy: -362.276367 where: bonds (distance) C4'-P energy: -63.389 bonds (distance) P-C4' energy: -75.216 flat angles C4'-P-C4' energy: -68.754 flat angles P-C4'-P energy: -48.318 tors. eta vs tors. theta energy: -106.601 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: 2, replica: 9 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -1139.975169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.975169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.975169 (E_RNA) where: Base-Base interactions energy: -808.255 where: short stacking energy: -339.371 Base-Backbone interact. energy: -0.601 local terms energy: -331.119426 where: bonds (distance) C4'-P energy: -64.984 bonds (distance) P-C4' energy: -59.402 flat angles C4'-P-C4' energy: -66.905 flat angles P-C4'-P energy: -50.299 tors. eta vs tors. theta energy: -89.530 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: 8 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -1084.057200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.057200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.057200 (E_RNA) where: Base-Base interactions energy: -754.674 where: short stacking energy: -320.823 Base-Backbone interact. energy: -2.719 local terms energy: -326.663999 where: bonds (distance) C4'-P energy: -53.485 bonds (distance) P-C4' energy: -59.219 flat angles C4'-P-C4' energy: -73.059 flat angles P-C4'-P energy: -51.738 tors. eta vs tors. theta energy: -89.163 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: 6 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -1030.673772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.673772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.673772 (E_RNA) where: Base-Base interactions energy: -692.122 where: short stacking energy: -303.094 Base-Backbone interact. energy: 0.145 local terms energy: -338.696627 where: bonds (distance) C4'-P energy: -65.166 bonds (distance) P-C4' energy: -67.670 flat angles C4'-P-C4' energy: -69.795 flat angles P-C4'-P energy: -45.234 tors. eta vs tors. theta energy: -90.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -943.515786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.515786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.515786 (E_RNA) where: Base-Base interactions energy: -626.672 where: short stacking energy: -278.352 Base-Backbone interact. energy: 5.182 local terms energy: -322.025886 where: bonds (distance) C4'-P energy: -66.317 bonds (distance) P-C4' energy: -62.066 flat angles C4'-P-C4' energy: -71.927 flat angles P-C4'-P energy: -39.369 tors. eta vs tors. theta energy: -82.346 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: 6, replica: 5 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -851.273126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -851.273126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -851.273126 (E_RNA) where: Base-Base interactions energy: -569.874 where: short stacking energy: -243.399 Base-Backbone interact. energy: -0.330 local terms energy: -281.068345 where: bonds (distance) C4'-P energy: -58.153 bonds (distance) P-C4' energy: -59.176 flat angles C4'-P-C4' energy: -62.675 flat angles P-C4'-P energy: -37.148 tors. eta vs tors. theta energy: -63.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -795.163069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.163069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.163069 (E_RNA) where: Base-Base interactions energy: -535.881 where: short stacking energy: -238.781 Base-Backbone interact. energy: -0.455 local terms energy: -258.827393 where: bonds (distance) C4'-P energy: -46.996 bonds (distance) P-C4' energy: -68.613 flat angles C4'-P-C4' energy: -56.738 flat angles P-C4'-P energy: -32.658 tors. eta vs tors. theta energy: -53.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -648.720235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.720235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.720235 (E_RNA) where: Base-Base interactions energy: -408.519 where: short stacking energy: -192.189 Base-Backbone interact. energy: -0.788 local terms energy: -239.413034 where: bonds (distance) C4'-P energy: -50.236 bonds (distance) P-C4' energy: -51.795 flat angles C4'-P-C4' energy: -59.764 flat angles P-C4'-P energy: -37.972 tors. eta vs tors. theta energy: -39.646 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: 2 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -579.597513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.597513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.597513 (E_RNA) where: Base-Base interactions energy: -340.503 where: short stacking energy: -176.028 Base-Backbone interact. energy: 0.019 local terms energy: -239.113520 where: bonds (distance) C4'-P energy: -59.675 bonds (distance) P-C4' energy: -59.521 flat angles C4'-P-C4' energy: -49.638 flat angles P-C4'-P energy: -38.480 tors. eta vs tors. theta energy: -31.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -408.482389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.482389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.482389 (E_RNA) where: Base-Base interactions energy: -205.177 where: short stacking energy: -112.749 Base-Backbone interact. energy: 0.070 local terms energy: -203.374524 where: bonds (distance) C4'-P energy: -54.032 bonds (distance) P-C4' energy: -60.168 flat angles C4'-P-C4' energy: -48.508 flat angles P-C4'-P energy: -29.111 tors. eta vs tors. theta energy: -11.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -1188.943984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.943984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.943984 (E_RNA) where: Base-Base interactions energy: -833.824 where: short stacking energy: -353.428 Base-Backbone interact. energy: -2.053 local terms energy: -353.067259 where: bonds (distance) C4'-P energy: -64.082 bonds (distance) P-C4' energy: -64.220 flat angles C4'-P-C4' energy: -74.038 flat angles P-C4'-P energy: -45.546 tors. eta vs tors. theta energy: -105.182 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: 9 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -1107.920324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.920324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.920324 (E_RNA) where: Base-Base interactions energy: -785.214 where: short stacking energy: -305.744 Base-Backbone interact. energy: -1.814 local terms energy: -320.892406 where: bonds (distance) C4'-P energy: -67.890 bonds (distance) P-C4' energy: -60.388 flat angles C4'-P-C4' energy: -66.537 flat angles P-C4'-P energy: -43.989 tors. eta vs tors. theta energy: -82.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -1086.532033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.532033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.532033 (E_RNA) where: Base-Base interactions energy: -761.182 where: short stacking energy: -304.693 Base-Backbone interact. energy: 0.051 local terms energy: -325.400590 where: bonds (distance) C4'-P energy: -63.984 bonds (distance) P-C4' energy: -62.110 flat angles C4'-P-C4' energy: -75.207 flat angles P-C4'-P energy: -40.124 tors. eta vs tors. theta energy: -83.975 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: 4, replica: 6 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -1021.500821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.500821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.500821 (E_RNA) where: Base-Base interactions energy: -684.981 where: short stacking energy: -316.587 Base-Backbone interact. energy: -0.832 local terms energy: -335.687765 where: bonds (distance) C4'-P energy: -62.554 bonds (distance) P-C4' energy: -57.918 flat angles C4'-P-C4' energy: -70.823 flat angles P-C4'-P energy: -47.789 tors. eta vs tors. theta energy: -96.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -935.854695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.854695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.854695 (E_RNA) where: Base-Base interactions energy: -626.240 where: short stacking energy: -260.256 Base-Backbone interact. energy: -2.676 local terms energy: -306.939101 where: bonds (distance) C4'-P energy: -59.938 bonds (distance) P-C4' energy: -52.788 flat angles C4'-P-C4' energy: -74.394 flat angles P-C4'-P energy: -41.825 tors. eta vs tors. theta energy: -77.993 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: 5 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -860.868118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -860.868118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -860.868118 (E_RNA) where: Base-Base interactions energy: -577.068 where: short stacking energy: -248.463 Base-Backbone interact. energy: -1.407 local terms energy: -282.393406 where: bonds (distance) C4'-P energy: -67.173 bonds (distance) P-C4' energy: -55.340 flat angles C4'-P-C4' energy: -56.341 flat angles P-C4'-P energy: -40.570 tors. eta vs tors. theta energy: -62.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 316 Temperature: 1.200000 Total energy: -763.855753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.855753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.855753 (E_RNA) where: Base-Base interactions energy: -506.951 where: short stacking energy: -207.627 Base-Backbone interact. energy: -0.102 local terms energy: -256.802379 where: bonds (distance) C4'-P energy: -41.160 bonds (distance) P-C4' energy: -60.090 flat angles C4'-P-C4' energy: -68.163 flat angles P-C4'-P energy: -44.411 tors. eta vs tors. theta energy: -42.978 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: 8, replica: 4 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -637.068104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.068104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.068104 (E_RNA) where: Base-Base interactions energy: -381.078 where: short stacking energy: -161.455 Base-Backbone interact. energy: 3.693 local terms energy: -259.682904 where: bonds (distance) C4'-P energy: -65.162 bonds (distance) P-C4' energy: -62.386 flat angles C4'-P-C4' energy: -66.516 flat angles P-C4'-P energy: -37.998 tors. eta vs tors. theta energy: -27.620 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: 9, replica: 2 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -562.425943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.425943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.425943 (E_RNA) where: Base-Base interactions energy: -338.268 where: short stacking energy: -165.258 Base-Backbone interact. energy: -0.388 local terms energy: -223.770570 where: bonds (distance) C4'-P energy: -50.705 bonds (distance) P-C4' energy: -57.894 flat angles C4'-P-C4' energy: -47.629 flat angles P-C4'-P energy: -36.798 tors. eta vs tors. theta energy: -30.745 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: 7 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -471.210939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -471.210939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -471.210939 (E_RNA) where: Base-Base interactions energy: -245.478 where: short stacking energy: -141.298 Base-Backbone interact. energy: 0.582 local terms energy: -226.314843 where: bonds (distance) C4'-P energy: -63.568 bonds (distance) P-C4' energy: -51.256 flat angles C4'-P-C4' energy: -47.114 flat angles P-C4'-P energy: -37.749 tors. eta vs tors. theta energy: -26.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -1155.967475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.967475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.967475 (E_RNA) where: Base-Base interactions energy: -807.411 where: short stacking energy: -320.827 Base-Backbone interact. energy: -2.163 local terms energy: -346.394339 where: bonds (distance) C4'-P energy: -64.340 bonds (distance) P-C4' energy: -67.553 flat angles C4'-P-C4' energy: -74.358 flat angles P-C4'-P energy: -43.621 tors. eta vs tors. theta energy: -96.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -1113.421078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.421078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.421078 (E_RNA) where: Base-Base interactions energy: -771.290 where: short stacking energy: -316.184 Base-Backbone interact. energy: -1.635 local terms energy: -340.495376 where: bonds (distance) C4'-P energy: -65.035 bonds (distance) P-C4' energy: -66.254 flat angles C4'-P-C4' energy: -76.341 flat angles P-C4'-P energy: -45.714 tors. eta vs tors. theta energy: -87.151 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: 8 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -1074.805168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1074.805168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1074.805168 (E_RNA) where: Base-Base interactions energy: -770.895 where: short stacking energy: -328.406 Base-Backbone interact. energy: -1.855 local terms energy: -302.054674 where: bonds (distance) C4'-P energy: -54.540 bonds (distance) P-C4' energy: -58.026 flat angles C4'-P-C4' energy: -58.185 flat angles P-C4'-P energy: -42.309 tors. eta vs tors. theta energy: -88.995 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: 4, replica: 6 ===================================== Write number: 317 Temperature: 1.050000 Total energy: -1018.093735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.093735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.093735 (E_RNA) where: Base-Base interactions energy: -678.516 where: short stacking energy: -306.627 Base-Backbone interact. energy: -0.605 local terms energy: -338.972430 where: bonds (distance) C4'-P energy: -51.705 bonds (distance) P-C4' energy: -66.180 flat angles C4'-P-C4' energy: -72.097 flat angles P-C4'-P energy: -51.955 tors. eta vs tors. theta energy: -97.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -952.042216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.042216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.042216 (E_RNA) where: Base-Base interactions energy: -640.695 where: short stacking energy: -271.632 Base-Backbone interact. energy: -2.887 local terms energy: -308.460489 where: bonds (distance) C4'-P energy: -50.168 bonds (distance) P-C4' energy: -62.212 flat angles C4'-P-C4' energy: -61.135 flat angles P-C4'-P energy: -59.908 tors. eta vs tors. theta energy: -75.038 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: 5 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -833.455567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.455567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.455567 (E_RNA) where: Base-Base interactions energy: -546.380 where: short stacking energy: -243.332 Base-Backbone interact. energy: 1.099 local terms energy: -288.175371 where: bonds (distance) C4'-P energy: -59.768 bonds (distance) P-C4' energy: -63.903 flat angles C4'-P-C4' energy: -60.912 flat angles P-C4'-P energy: -43.011 tors. eta vs tors. theta energy: -60.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -770.432536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.432536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.432536 (E_RNA) where: Base-Base interactions energy: -511.131 where: short stacking energy: -239.963 Base-Backbone interact. energy: -1.238 local terms energy: -258.063380 where: bonds (distance) C4'-P energy: -58.421 bonds (distance) P-C4' energy: -63.009 flat angles C4'-P-C4' energy: -57.983 flat angles P-C4'-P energy: -32.439 tors. eta vs tors. theta energy: -46.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -636.527286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -636.527286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -636.527286 (E_RNA) where: Base-Base interactions energy: -389.272 where: short stacking energy: -196.193 Base-Backbone interact. energy: -0.157 local terms energy: -247.097715 where: bonds (distance) C4'-P energy: -50.996 bonds (distance) P-C4' energy: -55.675 flat angles C4'-P-C4' energy: -61.835 flat angles P-C4'-P energy: -36.623 tors. eta vs tors. theta energy: -41.969 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: 2 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -607.016604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.016604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.016604 (E_RNA) where: Base-Base interactions energy: -371.139 where: short stacking energy: -178.246 Base-Backbone interact. energy: -1.441 local terms energy: -234.436339 where: bonds (distance) C4'-P energy: -60.184 bonds (distance) P-C4' energy: -51.741 flat angles C4'-P-C4' energy: -57.851 flat angles P-C4'-P energy: -25.497 tors. eta vs tors. theta energy: -39.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -440.144068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.144068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.144068 (E_RNA) where: Base-Base interactions energy: -243.389 where: short stacking energy: -129.815 Base-Backbone interact. energy: 4.784 local terms energy: -201.539242 where: bonds (distance) C4'-P energy: -50.381 bonds (distance) P-C4' energy: -52.101 flat angles C4'-P-C4' energy: -45.075 flat angles P-C4'-P energy: -35.977 tors. eta vs tors. theta energy: -18.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -1182.761944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.761944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.761944 (E_RNA) where: Base-Base interactions energy: -821.056 where: short stacking energy: -338.533 Base-Backbone interact. energy: -1.216 local terms energy: -360.489223 where: bonds (distance) C4'-P energy: -69.929 bonds (distance) P-C4' energy: -60.511 flat angles C4'-P-C4' energy: -76.554 flat angles P-C4'-P energy: -52.615 tors. eta vs tors. theta energy: -100.881 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: 318 Temperature: 0.950000 Total energy: -1125.693139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.693139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.693139 (E_RNA) where: Base-Base interactions energy: -788.953 where: short stacking energy: -317.011 Base-Backbone interact. energy: -0.169 local terms energy: -336.570687 where: bonds (distance) C4'-P energy: -53.913 bonds (distance) P-C4' energy: -70.051 flat angles C4'-P-C4' energy: -72.086 flat angles P-C4'-P energy: -51.974 tors. eta vs tors. theta energy: -88.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -1043.359328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.359328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.359328 (E_RNA) where: Base-Base interactions energy: -709.562 where: short stacking energy: -310.985 Base-Backbone interact. energy: -0.110 local terms energy: -333.687356 where: bonds (distance) C4'-P energy: -57.107 bonds (distance) P-C4' energy: -59.177 flat angles C4'-P-C4' energy: -71.752 flat angles P-C4'-P energy: -48.614 tors. eta vs tors. theta energy: -97.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -1054.857410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.857410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.857410 (E_RNA) where: Base-Base interactions energy: -726.285 where: short stacking energy: -294.500 Base-Backbone interact. energy: -0.886 local terms energy: -327.686655 where: bonds (distance) C4'-P energy: -57.915 bonds (distance) P-C4' energy: -62.908 flat angles C4'-P-C4' energy: -64.382 flat angles P-C4'-P energy: -53.539 tors. eta vs tors. theta energy: -88.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -961.069866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.069866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.069866 (E_RNA) where: Base-Base interactions energy: -659.387 where: short stacking energy: -289.832 Base-Backbone interact. energy: 0.069 local terms energy: -301.751522 where: bonds (distance) C4'-P energy: -48.334 bonds (distance) P-C4' energy: -59.815 flat angles C4'-P-C4' energy: -66.037 flat angles P-C4'-P energy: -44.463 tors. eta vs tors. theta energy: -83.103 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -821.677843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -821.677843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -821.677843 (E_RNA) where: Base-Base interactions energy: -537.899 where: short stacking energy: -245.391 Base-Backbone interact. energy: -2.039 local terms energy: -281.739868 where: bonds (distance) C4'-P energy: -59.969 bonds (distance) P-C4' energy: -61.230 flat angles C4'-P-C4' energy: -61.563 flat angles P-C4'-P energy: -42.808 tors. eta vs tors. theta energy: -56.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -705.467250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.467250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.467250 (E_RNA) where: Base-Base interactions energy: -456.126 where: short stacking energy: -207.888 Base-Backbone interact. energy: -1.065 local terms energy: -248.275811 where: bonds (distance) C4'-P energy: -46.220 bonds (distance) P-C4' energy: -48.775 flat angles C4'-P-C4' energy: -68.597 flat angles P-C4'-P energy: -38.326 tors. eta vs tors. theta energy: -46.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -631.454075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.454075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.454075 (E_RNA) where: Base-Base interactions energy: -384.901 where: short stacking energy: -169.471 Base-Backbone interact. energy: 0.262 local terms energy: -246.815372 where: bonds (distance) C4'-P energy: -49.686 bonds (distance) P-C4' energy: -70.403 flat angles C4'-P-C4' energy: -60.780 flat angles P-C4'-P energy: -41.656 tors. eta vs tors. theta energy: -24.290 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: 2 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -600.686599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -600.686599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -600.686599 (E_RNA) where: Base-Base interactions energy: -367.065 where: short stacking energy: -168.464 Base-Backbone interact. energy: -2.097 local terms energy: -231.524078 where: bonds (distance) C4'-P energy: -53.421 bonds (distance) P-C4' energy: -58.162 flat angles C4'-P-C4' energy: -53.833 flat angles P-C4'-P energy: -39.579 tors. eta vs tors. theta energy: -26.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -436.753094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -436.753094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -436.753094 (E_RNA) where: Base-Base interactions energy: -250.890 where: short stacking energy: -140.232 Base-Backbone interact. energy: -0.689 local terms energy: -185.174448 where: bonds (distance) C4'-P energy: -39.164 bonds (distance) P-C4' energy: -38.942 flat angles C4'-P-C4' energy: -55.135 flat angles P-C4'-P energy: -37.510 tors. eta vs tors. theta energy: -14.423 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: 10 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -1173.795179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1173.795179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1173.795179 (E_RNA) where: Base-Base interactions energy: -804.926 where: short stacking energy: -346.301 Base-Backbone interact. energy: -2.243 local terms energy: -366.626756 where: bonds (distance) C4'-P energy: -69.114 bonds (distance) P-C4' energy: -73.727 flat angles C4'-P-C4' energy: -70.895 flat angles P-C4'-P energy: -44.954 tors. eta vs tors. theta energy: -107.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -1120.947221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.947221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.947221 (E_RNA) where: Base-Base interactions energy: -801.730 where: short stacking energy: -315.372 Base-Backbone interact. energy: 0.457 local terms energy: -319.674782 where: bonds (distance) C4'-P energy: -61.487 bonds (distance) P-C4' energy: -53.074 flat angles C4'-P-C4' energy: -72.612 flat angles P-C4'-P energy: -48.327 tors. eta vs tors. theta energy: -84.174 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: 3, replica: 6 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -1037.373319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.373319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.373319 (E_RNA) where: Base-Base interactions energy: -676.999 where: short stacking energy: -312.023 Base-Backbone interact. energy: -1.676 local terms energy: -358.698731 where: bonds (distance) C4'-P energy: -65.477 bonds (distance) P-C4' energy: -74.751 flat angles C4'-P-C4' energy: -76.281 flat angles P-C4'-P energy: -53.398 tors. eta vs tors. theta energy: -88.791 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: 4, replica: 8 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -1078.731967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.731967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.731967 (E_RNA) where: Base-Base interactions energy: -751.321 where: short stacking energy: -314.226 Base-Backbone interact. energy: -0.296 local terms energy: -327.114565 where: bonds (distance) C4'-P energy: -62.455 bonds (distance) P-C4' energy: -61.153 flat angles C4'-P-C4' energy: -66.170 flat angles P-C4'-P energy: -44.927 tors. eta vs tors. theta energy: -92.409 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: 1 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -944.250473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.250473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.250473 (E_RNA) where: Base-Base interactions energy: -640.815 where: short stacking energy: -275.117 Base-Backbone interact. energy: -1.112 local terms energy: -302.323928 where: bonds (distance) C4'-P energy: -58.275 bonds (distance) P-C4' energy: -57.231 flat angles C4'-P-C4' energy: -59.707 flat angles P-C4'-P energy: -49.328 tors. eta vs tors. theta energy: -77.783 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: 5 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -845.001213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.001213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.001213 (E_RNA) where: Base-Base interactions energy: -553.647 where: short stacking energy: -243.781 Base-Backbone interact. energy: -2.647 local terms energy: -288.706777 where: bonds (distance) C4'-P energy: -64.967 bonds (distance) P-C4' energy: -44.633 flat angles C4'-P-C4' energy: -74.185 flat angles P-C4'-P energy: -50.951 tors. eta vs tors. theta energy: -53.971 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: 3 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -748.371471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.371471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.371471 (E_RNA) where: Base-Base interactions energy: -475.278 where: short stacking energy: -219.731 Base-Backbone interact. energy: -2.348 local terms energy: -270.745619 where: bonds (distance) C4'-P energy: -63.729 bonds (distance) P-C4' energy: -63.332 flat angles C4'-P-C4' energy: -53.843 flat angles P-C4'-P energy: -44.952 tors. eta vs tors. theta energy: -44.890 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: 2 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -607.334743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.334743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.334743 (E_RNA) where: Base-Base interactions energy: -392.952 where: short stacking energy: -194.719 Base-Backbone interact. energy: 0.175 local terms energy: -214.557422 where: bonds (distance) C4'-P energy: -46.048 bonds (distance) P-C4' energy: -54.572 flat angles C4'-P-C4' energy: -46.409 flat angles P-C4'-P energy: -29.503 tors. eta vs tors. theta energy: -38.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -639.071045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.071045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.071045 (E_RNA) where: Base-Base interactions energy: -400.995 where: short stacking energy: -186.752 Base-Backbone interact. energy: -1.734 local terms energy: -236.341500 where: bonds (distance) C4'-P energy: -54.052 bonds (distance) P-C4' energy: -50.148 flat angles C4'-P-C4' energy: -47.837 flat angles P-C4'-P energy: -37.833 tors. eta vs tors. theta energy: -46.472 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: 7 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -438.752409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.752409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.752409 (E_RNA) where: Base-Base interactions energy: -239.264 where: short stacking energy: -129.121 Base-Backbone interact. energy: 9.167 local terms energy: -208.656122 where: bonds (distance) C4'-P energy: -44.712 bonds (distance) P-C4' energy: -56.356 flat angles C4'-P-C4' energy: -44.347 flat angles P-C4'-P energy: -35.830 tors. eta vs tors. theta energy: -27.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -1186.641012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.641012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.641012 (E_RNA) where: Base-Base interactions energy: -828.666 where: short stacking energy: -350.995 Base-Backbone interact. energy: -1.647 local terms energy: -356.327951 where: bonds (distance) C4'-P energy: -69.971 bonds (distance) P-C4' energy: -67.794 flat angles C4'-P-C4' energy: -72.250 flat angles P-C4'-P energy: -45.558 tors. eta vs tors. theta energy: -100.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -1140.078918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.078918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.078918 (E_RNA) where: Base-Base interactions energy: -799.835 where: short stacking energy: -317.393 Base-Backbone interact. energy: -0.149 local terms energy: -340.095710 where: bonds (distance) C4'-P energy: -65.595 bonds (distance) P-C4' energy: -65.091 flat angles C4'-P-C4' energy: -73.118 flat angles P-C4'-P energy: -48.553 tors. eta vs tors. theta energy: -87.738 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: 3, replica: 8 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -1066.128926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.128926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.128926 (E_RNA) where: Base-Base interactions energy: -741.103 where: short stacking energy: -293.503 Base-Backbone interact. energy: -0.885 local terms energy: -324.140702 where: bonds (distance) C4'-P energy: -57.049 bonds (distance) P-C4' energy: -62.710 flat angles C4'-P-C4' energy: -64.508 flat angles P-C4'-P energy: -53.195 tors. eta vs tors. theta energy: -86.679 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: 4, replica: 6 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -1010.496116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.496116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.496116 (E_RNA) where: Base-Base interactions energy: -689.272 where: short stacking energy: -314.732 Base-Backbone interact. energy: 0.863 local terms energy: -322.087574 where: bonds (distance) C4'-P energy: -52.009 bonds (distance) P-C4' energy: -53.772 flat angles C4'-P-C4' energy: -74.268 flat angles P-C4'-P energy: -51.630 tors. eta vs tors. theta energy: -90.409 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: 1 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -927.779347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.779347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.779347 (E_RNA) where: Base-Base interactions energy: -617.860 where: short stacking energy: -273.754 Base-Backbone interact. energy: -2.604 local terms energy: -307.315791 where: bonds (distance) C4'-P energy: -60.243 bonds (distance) P-C4' energy: -67.164 flat angles C4'-P-C4' energy: -68.743 flat angles P-C4'-P energy: -39.295 tors. eta vs tors. theta energy: -71.871 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: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -869.918722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.918722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.918722 (E_RNA) where: Base-Base interactions energy: -568.572 where: short stacking energy: -262.349 Base-Backbone interact. energy: -1.260 local terms energy: -300.086652 where: bonds (distance) C4'-P energy: -57.484 bonds (distance) P-C4' energy: -71.541 flat angles C4'-P-C4' energy: -64.671 flat angles P-C4'-P energy: -33.727 tors. eta vs tors. theta energy: -72.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -735.700400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.700400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.700400 (E_RNA) where: Base-Base interactions energy: -492.578 where: short stacking energy: -240.981 Base-Backbone interact. energy: -0.957 local terms energy: -242.165273 where: bonds (distance) C4'-P energy: -50.601 bonds (distance) P-C4' energy: -40.021 flat angles C4'-P-C4' energy: -56.713 flat angles P-C4'-P energy: -40.905 tors. eta vs tors. theta energy: -53.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -620.234262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -620.234262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -620.234262 (E_RNA) where: Base-Base interactions energy: -383.999 where: short stacking energy: -179.731 Base-Backbone interact. energy: -2.840 local terms energy: -233.395867 where: bonds (distance) C4'-P energy: -50.962 bonds (distance) P-C4' energy: -68.307 flat angles C4'-P-C4' energy: -54.118 flat angles P-C4'-P energy: -28.587 tors. eta vs tors. theta energy: -31.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -581.174537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -581.174537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -581.174537 (E_RNA) where: Base-Base interactions energy: -359.427 where: short stacking energy: -166.865 Base-Backbone interact. energy: -0.072 local terms energy: -221.675428 where: bonds (distance) C4'-P energy: -44.505 bonds (distance) P-C4' energy: -48.979 flat angles C4'-P-C4' energy: -48.359 flat angles P-C4'-P energy: -48.947 tors. eta vs tors. theta energy: -30.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -406.599530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.599530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.599530 (E_RNA) where: Base-Base interactions energy: -209.295 where: short stacking energy: -106.716 Base-Backbone interact. energy: -0.411 local terms energy: -196.893442 where: bonds (distance) C4'-P energy: -60.522 bonds (distance) P-C4' energy: -69.345 flat angles C4'-P-C4' energy: -49.278 flat angles P-C4'-P energy: -13.381 tors. eta vs tors. theta energy: -4.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -1193.013311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.013311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.013311 (E_RNA) where: Base-Base interactions energy: -832.169 where: short stacking energy: -345.807 Base-Backbone interact. energy: 0.110 local terms energy: -360.954168 where: bonds (distance) C4'-P energy: -54.379 bonds (distance) P-C4' energy: -70.970 flat angles C4'-P-C4' energy: -79.745 flat angles P-C4'-P energy: -55.273 tors. eta vs tors. theta energy: -100.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -1144.654840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.654840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.654840 (E_RNA) where: Base-Base interactions energy: -804.273 where: short stacking energy: -333.920 Base-Backbone interact. energy: -2.170 local terms energy: -338.212242 where: bonds (distance) C4'-P energy: -63.921 bonds (distance) P-C4' energy: -59.865 flat angles C4'-P-C4' energy: -73.145 flat angles P-C4'-P energy: -49.100 tors. eta vs tors. theta energy: -92.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 321 Temperature: 1.000000 Total energy: -1058.161416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1058.161416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1058.161416 (E_RNA) where: Base-Base interactions energy: -748.377 where: short stacking energy: -294.682 Base-Backbone interact. energy: 0.494 local terms energy: -310.277990 where: bonds (distance) C4'-P energy: -57.337 bonds (distance) P-C4' energy: -58.013 flat angles C4'-P-C4' energy: -67.854 flat angles P-C4'-P energy: -48.444 tors. eta vs tors. theta energy: -78.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -1011.325236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1011.325236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1011.325236 (E_RNA) where: Base-Base interactions energy: -696.716 where: short stacking energy: -307.531 Base-Backbone interact. energy: -0.602 local terms energy: -314.007448 where: bonds (distance) C4'-P energy: -54.554 bonds (distance) P-C4' energy: -65.896 flat angles C4'-P-C4' energy: -66.935 flat angles P-C4'-P energy: -33.637 tors. eta vs tors. theta energy: -92.984 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: 1 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -928.601266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -928.601266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -928.601266 (E_RNA) where: Base-Base interactions energy: -606.947 where: short stacking energy: -281.977 Base-Backbone interact. energy: 0.368 local terms energy: -322.022338 where: bonds (distance) C4'-P energy: -54.828 bonds (distance) P-C4' energy: -70.247 flat angles C4'-P-C4' energy: -70.131 flat angles P-C4'-P energy: -39.642 tors. eta vs tors. theta energy: -87.173 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: 3 ===================================== Write number: 321 Temperature: 1.150000 Total energy: -792.401027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -792.401027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -792.401027 (E_RNA) where: Base-Base interactions energy: -510.004 where: short stacking energy: -224.835 Base-Backbone interact. energy: -0.637 local terms energy: -281.760188 where: bonds (distance) C4'-P energy: -52.103 bonds (distance) P-C4' energy: -58.690 flat angles C4'-P-C4' energy: -72.690 flat angles P-C4'-P energy: -44.389 tors. eta vs tors. theta energy: -53.889 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: 5 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -801.049500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.049500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.049500 (E_RNA) where: Base-Base interactions energy: -531.632 where: short stacking energy: -234.968 Base-Backbone interact. energy: -2.465 local terms energy: -266.952411 where: bonds (distance) C4'-P energy: -56.932 bonds (distance) P-C4' energy: -53.357 flat angles C4'-P-C4' energy: -67.350 flat angles P-C4'-P energy: -39.980 tors. eta vs tors. theta energy: -49.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -654.121267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.121267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.121267 (E_RNA) where: Base-Base interactions energy: -404.138 where: short stacking energy: -209.835 Base-Backbone interact. energy: 2.384 local terms energy: -252.367458 where: bonds (distance) C4'-P energy: -54.717 bonds (distance) P-C4' energy: -63.622 flat angles C4'-P-C4' energy: -50.349 flat angles P-C4'-P energy: -37.230 tors. eta vs tors. theta energy: -46.449 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: 4 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -593.070017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.070017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.070017 (E_RNA) where: Base-Base interactions energy: -369.509 where: short stacking energy: -173.497 Base-Backbone interact. energy: -1.101 local terms energy: -222.460238 where: bonds (distance) C4'-P energy: -61.936 bonds (distance) P-C4' energy: -64.095 flat angles C4'-P-C4' energy: -42.630 flat angles P-C4'-P energy: -26.549 tors. eta vs tors. theta energy: -27.250 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: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -419.620204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.620204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.620204 (E_RNA) where: Base-Base interactions energy: -232.083 where: short stacking energy: -129.265 Base-Backbone interact. energy: -0.241 local terms energy: -187.296537 where: bonds (distance) C4'-P energy: -52.204 bonds (distance) P-C4' energy: -52.755 flat angles C4'-P-C4' energy: -48.979 flat angles P-C4'-P energy: -24.545 tors. eta vs tors. theta energy: -8.814 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: 10 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -1168.891065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.891065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.891065 (E_RNA) where: Base-Base interactions energy: -821.176 where: short stacking energy: -334.399 Base-Backbone interact. energy: -0.184 local terms energy: -347.530701 where: bonds (distance) C4'-P energy: -57.081 bonds (distance) P-C4' energy: -61.584 flat angles C4'-P-C4' energy: -73.148 flat angles P-C4'-P energy: -52.118 tors. eta vs tors. theta energy: -103.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -1139.146148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.146148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.146148 (E_RNA) where: Base-Base interactions energy: -792.120 where: short stacking energy: -318.254 Base-Backbone interact. energy: -1.198 local terms energy: -345.827829 where: bonds (distance) C4'-P energy: -69.297 bonds (distance) P-C4' energy: -68.033 flat angles C4'-P-C4' energy: -69.216 flat angles P-C4'-P energy: -50.656 tors. eta vs tors. theta energy: -88.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -1031.264244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.264244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.264244 (E_RNA) where: Base-Base interactions energy: -702.138 where: short stacking energy: -311.285 Base-Backbone interact. energy: -1.610 local terms energy: -327.515623 where: bonds (distance) C4'-P energy: -63.431 bonds (distance) P-C4' energy: -55.077 flat angles C4'-P-C4' energy: -76.158 flat angles P-C4'-P energy: -35.918 tors. eta vs tors. theta energy: -96.932 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: 4, replica: 8 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -1054.667204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.667204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.667204 (E_RNA) where: Base-Base interactions energy: -725.412 where: short stacking energy: -279.195 Base-Backbone interact. energy: -0.746 local terms energy: -328.508727 where: bonds (distance) C4'-P energy: -61.323 bonds (distance) P-C4' energy: -64.872 flat angles C4'-P-C4' energy: -74.083 flat angles P-C4'-P energy: -54.070 tors. eta vs tors. theta energy: -74.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -923.249140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.249140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.249140 (E_RNA) where: Base-Base interactions energy: -613.656 where: short stacking energy: -271.637 Base-Backbone interact. energy: 1.077 local terms energy: -310.669734 where: bonds (distance) C4'-P energy: -61.812 bonds (distance) P-C4' energy: -57.210 flat angles C4'-P-C4' energy: -62.573 flat angles P-C4'-P energy: -50.992 tors. eta vs tors. theta energy: -78.083 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: 3 ===================================== Write number: 322 Temperature: 1.150000 Total energy: -803.514667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.514667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.514667 (E_RNA) where: Base-Base interactions energy: -519.724 where: short stacking energy: -251.252 Base-Backbone interact. energy: -1.538 local terms energy: -282.252328 where: bonds (distance) C4'-P energy: -53.262 bonds (distance) P-C4' energy: -62.238 flat angles C4'-P-C4' energy: -55.198 flat angles P-C4'-P energy: -41.886 tors. eta vs tors. theta energy: -69.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -795.920024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -795.920024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -795.920024 (E_RNA) where: Base-Base interactions energy: -532.648 where: short stacking energy: -223.233 Base-Backbone interact. energy: -0.422 local terms energy: -262.850261 where: bonds (distance) C4'-P energy: -56.262 bonds (distance) P-C4' energy: -54.418 flat angles C4'-P-C4' energy: -61.250 flat angles P-C4'-P energy: -40.498 tors. eta vs tors. theta energy: -50.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -668.258299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.258299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.258299 (E_RNA) where: Base-Base interactions energy: -404.038 where: short stacking energy: -182.875 Base-Backbone interact. energy: -1.268 local terms energy: -262.952166 where: bonds (distance) C4'-P energy: -61.869 bonds (distance) P-C4' energy: -69.588 flat angles C4'-P-C4' energy: -51.705 flat angles P-C4'-P energy: -37.455 tors. eta vs tors. theta energy: -42.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -599.547745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.547745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.547745 (E_RNA) where: Base-Base interactions energy: -372.774 where: short stacking energy: -172.344 Base-Backbone interact. energy: -0.317 local terms energy: -226.456710 where: bonds (distance) C4'-P energy: -55.131 bonds (distance) P-C4' energy: -60.254 flat angles C4'-P-C4' energy: -48.818 flat angles P-C4'-P energy: -30.791 tors. eta vs tors. theta energy: -31.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -413.227131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.227131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.227131 (E_RNA) where: Base-Base interactions energy: -228.394 where: short stacking energy: -127.758 Base-Backbone interact. energy: -0.694 local terms energy: -184.138664 where: bonds (distance) C4'-P energy: -46.394 bonds (distance) P-C4' energy: -48.360 flat angles C4'-P-C4' energy: -54.394 flat angles P-C4'-P energy: -25.818 tors. eta vs tors. theta energy: -9.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -1174.652474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.652474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.652474 (E_RNA) where: Base-Base interactions energy: -809.612 where: short stacking energy: -353.131 Base-Backbone interact. energy: -3.215 local terms energy: -361.824976 where: bonds (distance) C4'-P energy: -74.733 bonds (distance) P-C4' energy: -58.336 flat angles C4'-P-C4' energy: -76.304 flat angles P-C4'-P energy: -43.916 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: 2, replica: 9 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -1136.904503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.904503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.904503 (E_RNA) where: Base-Base interactions energy: -802.557 where: short stacking energy: -333.127 Base-Backbone interact. energy: -1.686 local terms energy: -332.661473 where: bonds (distance) C4'-P energy: -65.109 bonds (distance) P-C4' energy: -60.422 flat angles C4'-P-C4' energy: -68.743 flat angles P-C4'-P energy: -42.264 tors. eta vs tors. theta energy: -96.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -1070.278750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.278750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.278750 (E_RNA) where: Base-Base interactions energy: -697.552 where: short stacking energy: -320.138 Base-Backbone interact. energy: -1.225 local terms energy: -371.502485 where: bonds (distance) C4'-P energy: -69.502 bonds (distance) P-C4' energy: -69.208 flat angles C4'-P-C4' energy: -73.948 flat angles P-C4'-P energy: -51.790 tors. eta vs tors. theta energy: -107.054 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: 4, replica: 8 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -1075.048017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1075.048017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1075.048017 (E_RNA) where: Base-Base interactions energy: -754.556 where: short stacking energy: -321.336 Base-Backbone interact. energy: -0.550 local terms energy: -319.941831 where: bonds (distance) C4'-P energy: -68.954 bonds (distance) P-C4' energy: -45.591 flat angles C4'-P-C4' energy: -70.696 flat angles P-C4'-P energy: -47.341 tors. eta vs tors. theta energy: -87.360 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: 1 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -936.816685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.816685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.816685 (E_RNA) where: Base-Base interactions energy: -621.770 where: short stacking energy: -278.746 Base-Backbone interact. energy: -2.187 local terms energy: -312.859112 where: bonds (distance) C4'-P energy: -59.944 bonds (distance) P-C4' energy: -73.187 flat angles C4'-P-C4' energy: -54.161 flat angles P-C4'-P energy: -48.918 tors. eta vs tors. theta energy: -76.650 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: 3 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -765.305297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.305297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.305297 (E_RNA) where: Base-Base interactions energy: -485.761 where: short stacking energy: -219.514 Base-Backbone interact. energy: -1.177 local terms energy: -278.366912 where: bonds (distance) C4'-P energy: -61.172 bonds (distance) P-C4' energy: -58.625 flat angles C4'-P-C4' energy: -60.450 flat angles P-C4'-P energy: -46.460 tors. eta vs tors. theta energy: -51.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -781.210250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.210250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.210250 (E_RNA) where: Base-Base interactions energy: -498.660 where: short stacking energy: -212.845 Base-Backbone interact. energy: -1.587 local terms energy: -280.963260 where: bonds (distance) C4'-P energy: -53.680 bonds (distance) P-C4' energy: -70.911 flat angles C4'-P-C4' energy: -59.433 flat angles P-C4'-P energy: -39.677 tors. eta vs tors. theta energy: -57.263 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: 4 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -601.859342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.859342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.859342 (E_RNA) where: Base-Base interactions energy: -376.868 where: short stacking energy: -184.000 Base-Backbone interact. energy: 1.028 local terms energy: -226.019225 where: bonds (distance) C4'-P energy: -57.241 bonds (distance) P-C4' energy: -64.656 flat angles C4'-P-C4' energy: -50.654 flat angles P-C4'-P energy: -21.582 tors. eta vs tors. theta energy: -31.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -595.788759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.788759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.788759 (E_RNA) where: Base-Base interactions energy: -356.908 where: short stacking energy: -170.191 Base-Backbone interact. energy: -0.414 local terms energy: -238.466358 where: bonds (distance) C4'-P energy: -57.350 bonds (distance) P-C4' energy: -60.384 flat angles C4'-P-C4' energy: -58.941 flat angles P-C4'-P energy: -24.345 tors. eta vs tors. theta energy: -37.447 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: 7 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -414.205604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.205604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.205604 (E_RNA) where: Base-Base interactions energy: -233.766 where: short stacking energy: -125.215 Base-Backbone interact. energy: -1.931 local terms energy: -178.508409 where: bonds (distance) C4'-P energy: -44.953 bonds (distance) P-C4' energy: -47.335 flat angles C4'-P-C4' energy: -63.724 flat angles P-C4'-P energy: -19.647 tors. eta vs tors. theta energy: -2.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -1159.564521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.564521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.564521 (E_RNA) where: Base-Base interactions energy: -813.197 where: short stacking energy: -334.902 Base-Backbone interact. energy: -1.313 local terms energy: -345.054674 where: bonds (distance) C4'-P energy: -62.496 bonds (distance) P-C4' energy: -58.770 flat angles C4'-P-C4' energy: -70.787 flat angles P-C4'-P energy: -50.387 tors. eta vs tors. theta energy: -102.615 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: 2, replica: 10 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -1152.078184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.078184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.078184 (E_RNA) where: Base-Base interactions energy: -772.120 where: short stacking energy: -315.406 Base-Backbone interact. energy: -0.442 local terms energy: -379.516228 where: bonds (distance) C4'-P energy: -66.714 bonds (distance) P-C4' energy: -75.140 flat angles C4'-P-C4' energy: -76.702 flat angles P-C4'-P energy: -52.348 tors. eta vs tors. theta energy: -108.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -1090.451451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.451451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.451451 (E_RNA) where: Base-Base interactions energy: -757.769 where: short stacking energy: -309.139 Base-Backbone interact. energy: -0.618 local terms energy: -332.064936 where: bonds (distance) C4'-P energy: -60.386 bonds (distance) P-C4' energy: -70.513 flat angles C4'-P-C4' energy: -65.910 flat angles P-C4'-P energy: -53.216 tors. eta vs tors. theta energy: -82.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -1015.021713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.021713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.021713 (E_RNA) where: Base-Base interactions energy: -696.034 where: short stacking energy: -303.543 Base-Backbone interact. energy: -0.496 local terms energy: -318.491299 where: bonds (distance) C4'-P energy: -56.953 bonds (distance) P-C4' energy: -58.721 flat angles C4'-P-C4' energy: -66.384 flat angles P-C4'-P energy: -44.344 tors. eta vs tors. theta energy: -92.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -870.050751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.050751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.050751 (E_RNA) where: Base-Base interactions energy: -571.565 where: short stacking energy: -254.506 Base-Backbone interact. energy: -0.700 local terms energy: -297.785713 where: bonds (distance) C4'-P energy: -68.991 bonds (distance) P-C4' energy: -54.058 flat angles C4'-P-C4' energy: -64.369 flat angles P-C4'-P energy: -47.506 tors. eta vs tors. theta energy: -62.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -737.105617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.105617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.105617 (E_RNA) where: Base-Base interactions energy: -467.662 where: short stacking energy: -222.121 Base-Backbone interact. energy: -0.304 local terms energy: -269.139156 where: bonds (distance) C4'-P energy: -52.912 bonds (distance) P-C4' energy: -59.802 flat angles C4'-P-C4' energy: -72.032 flat angles P-C4'-P energy: -40.679 tors. eta vs tors. theta energy: -43.714 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: 7, replica: 5 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -806.007176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.007176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.007176 (E_RNA) where: Base-Base interactions energy: -515.660 where: short stacking energy: -242.921 Base-Backbone interact. energy: -1.209 local terms energy: -289.137770 where: bonds (distance) C4'-P energy: -59.651 bonds (distance) P-C4' energy: -59.275 flat angles C4'-P-C4' energy: -59.690 flat angles P-C4'-P energy: -40.895 tors. eta vs tors. theta energy: -69.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -628.450484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.450484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.450484 (E_RNA) where: Base-Base interactions energy: -393.739 where: short stacking energy: -197.146 Base-Backbone interact. energy: 1.790 local terms energy: -236.501093 where: bonds (distance) C4'-P energy: -58.979 bonds (distance) P-C4' energy: -44.844 flat angles C4'-P-C4' energy: -62.743 flat angles P-C4'-P energy: -38.522 tors. eta vs tors. theta energy: -31.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -573.058731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -573.058731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -573.058731 (E_RNA) where: Base-Base interactions energy: -334.084 where: short stacking energy: -156.270 Base-Backbone interact. energy: 0.755 local terms energy: -239.729455 where: bonds (distance) C4'-P energy: -57.998 bonds (distance) P-C4' energy: -55.572 flat angles C4'-P-C4' energy: -59.838 flat angles P-C4'-P energy: -29.503 tors. eta vs tors. theta energy: -36.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -413.974839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.974839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.974839 (E_RNA) where: Base-Base interactions energy: -226.379 where: short stacking energy: -121.114 Base-Backbone interact. energy: 0.854 local terms energy: -188.450537 where: bonds (distance) C4'-P energy: -50.071 bonds (distance) P-C4' energy: -59.843 flat angles C4'-P-C4' energy: -48.731 flat angles P-C4'-P energy: -27.071 tors. eta vs tors. theta energy: -2.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -1172.951687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.951687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.951687 (E_RNA) where: Base-Base interactions energy: -819.712 where: short stacking energy: -334.021 Base-Backbone interact. energy: -1.641 local terms energy: -351.599216 where: bonds (distance) C4'-P energy: -69.470 bonds (distance) P-C4' energy: -63.476 flat angles C4'-P-C4' energy: -70.952 flat angles P-C4'-P energy: -56.221 tors. eta vs tors. theta energy: -91.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -1149.317761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.317761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.317761 (E_RNA) where: Base-Base interactions energy: -787.594 where: short stacking energy: -344.582 Base-Backbone interact. energy: 0.472 local terms energy: -362.196012 where: bonds (distance) C4'-P energy: -64.338 bonds (distance) P-C4' energy: -63.061 flat angles C4'-P-C4' energy: -75.356 flat angles P-C4'-P energy: -46.146 tors. eta vs tors. theta energy: -113.294 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: 8 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -1088.069570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.069570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.069570 (E_RNA) where: Base-Base interactions energy: -764.585 where: short stacking energy: -308.416 Base-Backbone interact. energy: -2.687 local terms energy: -320.798197 where: bonds (distance) C4'-P energy: -65.719 bonds (distance) P-C4' energy: -65.933 flat angles C4'-P-C4' energy: -60.955 flat angles P-C4'-P energy: -40.140 tors. eta vs tors. theta energy: -88.051 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: 6 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -1024.444663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.444663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.444663 (E_RNA) where: Base-Base interactions energy: -678.363 where: short stacking energy: -306.299 Base-Backbone interact. energy: -0.489 local terms energy: -345.592923 where: bonds (distance) C4'-P energy: -66.457 bonds (distance) P-C4' energy: -63.343 flat angles C4'-P-C4' energy: -71.637 flat angles P-C4'-P energy: -43.317 tors. eta vs tors. theta energy: -100.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -914.434808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.434808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.434808 (E_RNA) where: Base-Base interactions energy: -613.785 where: short stacking energy: -278.291 Base-Backbone interact. energy: -0.293 local terms energy: -300.356730 where: bonds (distance) C4'-P energy: -66.173 bonds (distance) P-C4' energy: -45.744 flat angles C4'-P-C4' energy: -78.040 flat angles P-C4'-P energy: -36.674 tors. eta vs tors. theta energy: -73.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -869.120759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -869.120759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -869.120759 (E_RNA) where: Base-Base interactions energy: -589.044 where: short stacking energy: -265.987 Base-Backbone interact. energy: 0.631 local terms energy: -280.707717 where: bonds (distance) C4'-P energy: -55.205 bonds (distance) P-C4' energy: -63.282 flat angles C4'-P-C4' energy: -61.157 flat angles P-C4'-P energy: -25.078 tors. eta vs tors. theta energy: -75.985 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: 3 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -694.579699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.579699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.579699 (E_RNA) where: Base-Base interactions energy: -451.438 where: short stacking energy: -192.124 Base-Backbone interact. energy: 3.803 local terms energy: -246.944500 where: bonds (distance) C4'-P energy: -56.859 bonds (distance) P-C4' energy: -54.560 flat angles C4'-P-C4' energy: -51.678 flat angles P-C4'-P energy: -42.700 tors. eta vs tors. theta energy: -41.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -623.929322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.929322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.929322 (E_RNA) where: Base-Base interactions energy: -386.279 where: short stacking energy: -161.838 Base-Backbone interact. energy: -1.063 local terms energy: -236.587392 where: bonds (distance) C4'-P energy: -45.939 bonds (distance) P-C4' energy: -64.743 flat angles C4'-P-C4' energy: -49.005 flat angles P-C4'-P energy: -41.717 tors. eta vs tors. theta energy: -35.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -572.913687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.913687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.913687 (E_RNA) where: Base-Base interactions energy: -347.575 where: short stacking energy: -168.765 Base-Backbone interact. energy: -1.809 local terms energy: -223.529774 where: bonds (distance) C4'-P energy: -55.066 bonds (distance) P-C4' energy: -60.862 flat angles C4'-P-C4' energy: -50.943 flat angles P-C4'-P energy: -24.984 tors. eta vs tors. theta energy: -31.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -429.483172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.483172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.483172 (E_RNA) where: Base-Base interactions energy: -230.297 where: short stacking energy: -135.655 Base-Backbone interact. energy: -0.549 local terms energy: -198.637285 where: bonds (distance) C4'-P energy: -49.375 bonds (distance) P-C4' energy: -51.744 flat angles C4'-P-C4' energy: -55.468 flat angles P-C4'-P energy: -29.555 tors. eta vs tors. theta energy: -12.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -1155.212550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.212550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.212550 (E_RNA) where: Base-Base interactions energy: -811.238 where: short stacking energy: -342.405 Base-Backbone interact. energy: -2.356 local terms energy: -341.618775 where: bonds (distance) C4'-P energy: -64.386 bonds (distance) P-C4' energy: -60.189 flat angles C4'-P-C4' energy: -63.219 flat angles P-C4'-P energy: -47.597 tors. eta vs tors. theta energy: -106.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -1139.637192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.637192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.637192 (E_RNA) where: Base-Base interactions energy: -777.272 where: short stacking energy: -314.104 Base-Backbone interact. energy: -4.163 local terms energy: -358.202344 where: bonds (distance) C4'-P energy: -71.185 bonds (distance) P-C4' energy: -64.691 flat angles C4'-P-C4' energy: -74.773 flat angles P-C4'-P energy: -48.205 tors. eta vs tors. theta energy: -99.349 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: 8 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -1106.052773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.052773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.052773 (E_RNA) where: Base-Base interactions energy: -766.087 where: short stacking energy: -316.708 Base-Backbone interact. energy: -1.657 local terms energy: -338.308752 where: bonds (distance) C4'-P energy: -58.313 bonds (distance) P-C4' energy: -68.951 flat angles C4'-P-C4' energy: -71.642 flat angles P-C4'-P energy: -46.301 tors. eta vs tors. theta energy: -93.102 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: 6 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -1041.043717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.043717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.043717 (E_RNA) where: Base-Base interactions energy: -691.889 where: short stacking energy: -325.593 Base-Backbone interact. energy: -1.857 local terms energy: -347.298010 where: bonds (distance) C4'-P energy: -62.102 bonds (distance) P-C4' energy: -62.132 flat angles C4'-P-C4' energy: -77.219 flat angles P-C4'-P energy: -47.509 tors. eta vs tors. theta energy: -98.336 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: 1 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -878.080726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.080726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.080726 (E_RNA) where: Base-Base interactions energy: -610.905 where: short stacking energy: -263.457 Base-Backbone interact. energy: -1.836 local terms energy: -265.339591 where: bonds (distance) C4'-P energy: -50.729 bonds (distance) P-C4' energy: -50.256 flat angles C4'-P-C4' energy: -53.754 flat angles P-C4'-P energy: -44.827 tors. eta vs tors. theta energy: -65.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -885.495328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.495328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.495328 (E_RNA) where: Base-Base interactions energy: -588.172 where: short stacking energy: -275.813 Base-Backbone interact. energy: 0.981 local terms energy: -298.304134 where: bonds (distance) C4'-P energy: -58.139 bonds (distance) P-C4' energy: -59.584 flat angles C4'-P-C4' energy: -69.293 flat angles P-C4'-P energy: -35.411 tors. eta vs tors. theta energy: -75.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -736.611410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.611410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.611410 (E_RNA) where: Base-Base interactions energy: -472.007 where: short stacking energy: -211.283 Base-Backbone interact. energy: -2.053 local terms energy: -262.551631 where: bonds (distance) C4'-P energy: -51.894 bonds (distance) P-C4' energy: -60.323 flat angles C4'-P-C4' energy: -58.281 flat angles P-C4'-P energy: -42.090 tors. eta vs tors. theta energy: -49.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -650.514371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.514371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.514371 (E_RNA) where: Base-Base interactions energy: -403.851 where: short stacking energy: -200.673 Base-Backbone interact. energy: -1.365 local terms energy: -245.298807 where: bonds (distance) C4'-P energy: -51.613 bonds (distance) P-C4' energy: -54.164 flat angles C4'-P-C4' energy: -65.227 flat angles P-C4'-P energy: -31.370 tors. eta vs tors. theta energy: -42.925 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: 326 Temperature: 1.300000 Total energy: -552.705771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.705771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.705771 (E_RNA) where: Base-Base interactions energy: -319.070 where: short stacking energy: -134.025 Base-Backbone interact. energy: 2.551 local terms energy: -236.186533 where: bonds (distance) C4'-P energy: -55.516 bonds (distance) P-C4' energy: -68.858 flat angles C4'-P-C4' energy: -55.722 flat angles P-C4'-P energy: -42.884 tors. eta vs tors. theta energy: -13.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -448.675946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.675946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.675946 (E_RNA) where: Base-Base interactions energy: -256.632 where: short stacking energy: -124.051 Base-Backbone interact. energy: 0.189 local terms energy: -192.232812 where: bonds (distance) C4'-P energy: -54.269 bonds (distance) P-C4' energy: -67.023 flat angles C4'-P-C4' energy: -50.863 flat angles P-C4'-P energy: -17.847 tors. eta vs tors. theta energy: -2.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -1160.317859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.317859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.317859 (E_RNA) where: Base-Base interactions energy: -807.994 where: short stacking energy: -326.185 Base-Backbone interact. energy: -2.888 local terms energy: -349.436191 where: bonds (distance) C4'-P energy: -62.790 bonds (distance) P-C4' energy: -67.954 flat angles C4'-P-C4' energy: -63.245 flat angles P-C4'-P energy: -46.938 tors. eta vs tors. theta energy: -108.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -1129.150392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.150392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.150392 (E_RNA) where: Base-Base interactions energy: -781.771 where: short stacking energy: -321.701 Base-Backbone interact. energy: -0.464 local terms energy: -346.915056 where: bonds (distance) C4'-P energy: -65.507 bonds (distance) P-C4' energy: -66.921 flat angles C4'-P-C4' energy: -71.061 flat angles P-C4'-P energy: -54.385 tors. eta vs tors. theta energy: -89.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -1118.309121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.309121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.309121 (E_RNA) where: Base-Base interactions energy: -790.422 where: short stacking energy: -313.410 Base-Backbone interact. energy: -1.611 local terms energy: -326.276445 where: bonds (distance) C4'-P energy: -57.446 bonds (distance) P-C4' energy: -64.216 flat angles C4'-P-C4' energy: -72.504 flat angles P-C4'-P energy: -45.333 tors. eta vs tors. theta energy: -86.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -1028.530209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.530209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.530209 (E_RNA) where: Base-Base interactions energy: -693.414 where: short stacking energy: -320.759 Base-Backbone interact. energy: -2.832 local terms energy: -332.284643 where: bonds (distance) C4'-P energy: -55.844 bonds (distance) P-C4' energy: -60.688 flat angles C4'-P-C4' energy: -70.439 flat angles P-C4'-P energy: -57.793 tors. eta vs tors. theta energy: -87.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -919.252157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.252157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.252157 (E_RNA) where: Base-Base interactions energy: -619.257 where: short stacking energy: -271.350 Base-Backbone interact. energy: 0.370 local terms energy: -300.364758 where: bonds (distance) C4'-P energy: -61.118 bonds (distance) P-C4' energy: -59.605 flat angles C4'-P-C4' energy: -60.761 flat angles P-C4'-P energy: -46.003 tors. eta vs tors. theta energy: -72.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -785.244297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.244297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.244297 (E_RNA) where: Base-Base interactions energy: -506.816 where: short stacking energy: -243.225 Base-Backbone interact. energy: -1.306 local terms energy: -277.122697 where: bonds (distance) C4'-P energy: -58.159 bonds (distance) P-C4' energy: -60.122 flat angles C4'-P-C4' energy: -63.591 flat angles P-C4'-P energy: -39.314 tors. eta vs tors. theta energy: -55.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -812.387934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -812.387934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -812.387934 (E_RNA) where: Base-Base interactions energy: -522.486 where: short stacking energy: -241.109 Base-Backbone interact. energy: -3.137 local terms energy: -286.764724 where: bonds (distance) C4'-P energy: -56.352 bonds (distance) P-C4' energy: -55.235 flat angles C4'-P-C4' energy: -71.842 flat angles P-C4'-P energy: -45.728 tors. eta vs tors. theta energy: -57.609 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: 4 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -587.136510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.136510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.136510 (E_RNA) where: Base-Base interactions energy: -361.733 where: short stacking energy: -177.243 Base-Backbone interact. energy: 0.917 local terms energy: -226.320999 where: bonds (distance) C4'-P energy: -49.150 bonds (distance) P-C4' energy: -54.058 flat angles C4'-P-C4' energy: -50.633 flat angles P-C4'-P energy: -34.848 tors. eta vs tors. theta energy: -37.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -557.198727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.198727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.198727 (E_RNA) where: Base-Base interactions energy: -325.319 where: short stacking energy: -161.311 Base-Backbone interact. energy: -0.670 local terms energy: -231.209249 where: bonds (distance) C4'-P energy: -49.074 bonds (distance) P-C4' energy: -55.071 flat angles C4'-P-C4' energy: -58.375 flat angles P-C4'-P energy: -29.615 tors. eta vs tors. theta energy: -39.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -478.157649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -478.157649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -478.157649 (E_RNA) where: Base-Base interactions energy: -263.765 where: short stacking energy: -137.125 Base-Backbone interact. energy: 2.385 local terms energy: -216.778182 where: bonds (distance) C4'-P energy: -66.955 bonds (distance) P-C4' energy: -54.115 flat angles C4'-P-C4' energy: -49.961 flat angles P-C4'-P energy: -32.234 tors. eta vs tors. theta energy: -13.512 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: 10 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -1169.293227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.293227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.293227 (E_RNA) where: Base-Base interactions energy: -811.388 where: short stacking energy: -344.182 Base-Backbone interact. energy: -0.384 local terms energy: -357.521184 where: bonds (distance) C4'-P energy: -63.963 bonds (distance) P-C4' energy: -74.485 flat angles C4'-P-C4' energy: -75.275 flat angles P-C4'-P energy: -37.362 tors. eta vs tors. theta energy: -106.437 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: 9 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -1109.926158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.926158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.926158 (E_RNA) where: Base-Base interactions energy: -777.941 where: short stacking energy: -309.445 Base-Backbone interact. energy: -1.887 local terms energy: -330.098356 where: bonds (distance) C4'-P energy: -62.809 bonds (distance) P-C4' energy: -64.020 flat angles C4'-P-C4' energy: -72.135 flat angles P-C4'-P energy: -47.671 tors. eta vs tors. theta energy: -83.463 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: 6 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -1063.474786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.474786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.474786 (E_RNA) where: Base-Base interactions energy: -732.669 where: short stacking energy: -321.136 Base-Backbone interact. energy: 0.054 local terms energy: -330.860242 where: bonds (distance) C4'-P energy: -73.310 bonds (distance) P-C4' energy: -53.525 flat angles C4'-P-C4' energy: -66.748 flat angles P-C4'-P energy: -38.515 tors. eta vs tors. theta energy: -98.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -1047.194825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1047.194825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1047.194825 (E_RNA) where: Base-Base interactions energy: -738.749 where: short stacking energy: -303.930 Base-Backbone interact. energy: -1.263 local terms energy: -307.183473 where: bonds (distance) C4'-P energy: -58.632 bonds (distance) P-C4' energy: -52.438 flat angles C4'-P-C4' energy: -67.984 flat angles P-C4'-P energy: -39.156 tors. eta vs tors. theta energy: -88.973 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: 1 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -925.417191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.417191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.417191 (E_RNA) where: Base-Base interactions energy: -639.916 where: short stacking energy: -286.041 Base-Backbone interact. energy: 0.423 local terms energy: -285.924455 where: bonds (distance) C4'-P energy: -52.778 bonds (distance) P-C4' energy: -57.617 flat angles C4'-P-C4' energy: -55.606 flat angles P-C4'-P energy: -45.119 tors. eta vs tors. theta energy: -74.804 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: 6, replica: 3 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -802.618933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.618933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.618933 (E_RNA) where: Base-Base interactions energy: -517.670 where: short stacking energy: -228.310 Base-Backbone interact. energy: -2.029 local terms energy: -282.920471 where: bonds (distance) C4'-P energy: -57.227 bonds (distance) P-C4' energy: -65.430 flat angles C4'-P-C4' energy: -76.420 flat angles P-C4'-P energy: -32.774 tors. eta vs tors. theta energy: -51.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -774.509632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.509632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.509632 (E_RNA) where: Base-Base interactions energy: -504.901 where: short stacking energy: -233.407 Base-Backbone interact. energy: -1.850 local terms energy: -267.757979 where: bonds (distance) C4'-P energy: -63.750 bonds (distance) P-C4' energy: -54.403 flat angles C4'-P-C4' energy: -62.826 flat angles P-C4'-P energy: -30.104 tors. eta vs tors. theta energy: -56.675 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: 4 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -590.661517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.661517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.661517 (E_RNA) where: Base-Base interactions energy: -353.296 where: short stacking energy: -167.603 Base-Backbone interact. energy: -1.080 local terms energy: -236.284930 where: bonds (distance) C4'-P energy: -66.397 bonds (distance) P-C4' energy: -47.460 flat angles C4'-P-C4' energy: -61.454 flat angles P-C4'-P energy: -37.913 tors. eta vs tors. theta energy: -23.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -540.974288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.974288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.974288 (E_RNA) where: Base-Base interactions energy: -311.811 where: short stacking energy: -149.735 Base-Backbone interact. energy: 3.047 local terms energy: -232.210667 where: bonds (distance) C4'-P energy: -48.727 bonds (distance) P-C4' energy: -60.873 flat angles C4'-P-C4' energy: -49.972 flat angles P-C4'-P energy: -46.566 tors. eta vs tors. theta energy: -26.073 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: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -440.565571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.565571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.565571 (E_RNA) where: Base-Base interactions energy: -231.362 where: short stacking energy: -127.890 Base-Backbone interact. energy: -1.286 local terms energy: -207.916964 where: bonds (distance) C4'-P energy: -53.292 bonds (distance) P-C4' energy: -63.491 flat angles C4'-P-C4' energy: -45.625 flat angles P-C4'-P energy: -29.958 tors. eta vs tors. theta energy: -15.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -1165.412778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.412778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.412778 (E_RNA) where: Base-Base interactions energy: -808.385 where: short stacking energy: -323.802 Base-Backbone interact. energy: -0.791 local terms energy: -356.236983 where: bonds (distance) C4'-P energy: -66.619 bonds (distance) P-C4' energy: -73.172 flat angles C4'-P-C4' energy: -74.400 flat angles P-C4'-P energy: -37.228 tors. eta vs tors. theta energy: -104.817 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: 6 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -1073.536923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.536923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.536923 (E_RNA) where: Base-Base interactions energy: -728.009 where: short stacking energy: -321.404 Base-Backbone interact. energy: -0.170 local terms energy: -345.357541 where: bonds (distance) C4'-P energy: -56.093 bonds (distance) P-C4' energy: -58.278 flat angles C4'-P-C4' energy: -78.038 flat angles P-C4'-P energy: -58.189 tors. eta vs tors. theta energy: -94.758 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: 9 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -1106.353626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.353626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.353626 (E_RNA) where: Base-Base interactions energy: -758.610 where: short stacking energy: -328.681 Base-Backbone interact. energy: 0.234 local terms energy: -347.977910 where: bonds (distance) C4'-P energy: -63.550 bonds (distance) P-C4' energy: -62.575 flat angles C4'-P-C4' energy: -67.754 flat angles P-C4'-P energy: -58.414 tors. eta vs tors. theta energy: -95.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -1039.037902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.037902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.037902 (E_RNA) where: Base-Base interactions energy: -714.048 where: short stacking energy: -302.968 Base-Backbone interact. energy: -1.724 local terms energy: -323.266029 where: bonds (distance) C4'-P energy: -52.070 bonds (distance) P-C4' energy: -71.610 flat angles C4'-P-C4' energy: -69.045 flat angles P-C4'-P energy: -40.316 tors. eta vs tors. theta energy: -90.225 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: 5, replica: 1 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -905.258191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.258191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.258191 (E_RNA) where: Base-Base interactions energy: -611.102 where: short stacking energy: -265.096 Base-Backbone interact. energy: 2.733 local terms energy: -296.888803 where: bonds (distance) C4'-P energy: -58.492 bonds (distance) P-C4' energy: -52.484 flat angles C4'-P-C4' energy: -67.899 flat angles P-C4'-P energy: -45.096 tors. eta vs tors. theta energy: -72.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -803.363891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.363891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.363891 (E_RNA) where: Base-Base interactions energy: -507.174 where: short stacking energy: -238.671 Base-Backbone interact. energy: -1.281 local terms energy: -294.908767 where: bonds (distance) C4'-P energy: -64.520 bonds (distance) P-C4' energy: -65.469 flat angles C4'-P-C4' energy: -64.919 flat angles P-C4'-P energy: -42.909 tors. eta vs tors. theta energy: -57.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -754.628769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -754.628769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -754.628769 (E_RNA) where: Base-Base interactions energy: -476.290 where: short stacking energy: -225.497 Base-Backbone interact. energy: -0.485 local terms energy: -277.853453 where: bonds (distance) C4'-P energy: -58.831 bonds (distance) P-C4' energy: -65.331 flat angles C4'-P-C4' energy: -63.189 flat angles P-C4'-P energy: -39.986 tors. eta vs tors. theta energy: -50.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -617.611007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.611007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.611007 (E_RNA) where: Base-Base interactions energy: -395.997 where: short stacking energy: -170.682 Base-Backbone interact. energy: -2.154 local terms energy: -219.459717 where: bonds (distance) C4'-P energy: -53.673 bonds (distance) P-C4' energy: -58.216 flat angles C4'-P-C4' energy: -53.074 flat angles P-C4'-P energy: -26.869 tors. eta vs tors. theta energy: -27.628 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: 9, replica: 2 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -479.848066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -479.848066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -479.848066 (E_RNA) where: Base-Base interactions energy: -286.444 where: short stacking energy: -132.245 Base-Backbone interact. energy: -2.064 local terms energy: -191.339633 where: bonds (distance) C4'-P energy: -49.169 bonds (distance) P-C4' energy: -57.579 flat angles C4'-P-C4' energy: -52.222 flat angles P-C4'-P energy: -24.976 tors. eta vs tors. theta energy: -7.394 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: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -443.194512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.194512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.194512 (E_RNA) where: Base-Base interactions energy: -250.973 where: short stacking energy: -141.115 Base-Backbone interact. energy: 1.162 local terms energy: -193.383850 where: bonds (distance) C4'-P energy: -49.453 bonds (distance) P-C4' energy: -49.071 flat angles C4'-P-C4' energy: -53.879 flat angles P-C4'-P energy: -29.303 tors. eta vs tors. theta energy: -11.677 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: 10 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -1167.745149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.745149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.745149 (E_RNA) where: Base-Base interactions energy: -824.406 where: short stacking energy: -336.421 Base-Backbone interact. energy: 3.344 local terms energy: -346.683334 where: bonds (distance) C4'-P energy: -60.838 bonds (distance) P-C4' energy: -67.391 flat angles C4'-P-C4' energy: -64.929 flat angles P-C4'-P energy: -46.688 tors. eta vs tors. theta energy: -106.838 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: 6 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -1073.249543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.249543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.249543 (E_RNA) where: Base-Base interactions energy: -715.203 where: short stacking energy: -341.505 Base-Backbone interact. energy: -0.342 local terms energy: -357.704434 where: bonds (distance) C4'-P energy: -63.611 bonds (distance) P-C4' energy: -69.452 flat angles C4'-P-C4' energy: -65.967 flat angles P-C4'-P energy: -56.423 tors. eta vs tors. theta energy: -102.252 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: 330 Temperature: 1.000000 Total energy: -1104.243391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.243391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.243391 (E_RNA) where: Base-Base interactions energy: -766.665 where: short stacking energy: -313.745 Base-Backbone interact. energy: -0.563 local terms energy: -337.015659 where: bonds (distance) C4'-P energy: -63.588 bonds (distance) P-C4' energy: -67.861 flat angles C4'-P-C4' energy: -74.240 flat angles P-C4'-P energy: -46.679 tors. eta vs tors. theta energy: -84.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -1021.335869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.335869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.335869 (E_RNA) where: Base-Base interactions energy: -701.433 where: short stacking energy: -292.267 Base-Backbone interact. energy: -1.179 local terms energy: -318.723371 where: bonds (distance) C4'-P energy: -57.277 bonds (distance) P-C4' energy: -66.392 flat angles C4'-P-C4' energy: -66.103 flat angles P-C4'-P energy: -44.738 tors. eta vs tors. theta energy: -84.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -935.991787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -935.991787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -935.991787 (E_RNA) where: Base-Base interactions energy: -613.493 where: short stacking energy: -277.808 Base-Backbone interact. energy: -2.257 local terms energy: -320.242225 where: bonds (distance) C4'-P energy: -60.892 bonds (distance) P-C4' energy: -68.198 flat angles C4'-P-C4' energy: -63.671 flat angles P-C4'-P energy: -44.536 tors. eta vs tors. theta energy: -82.945 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: 6, replica: 5 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -799.942956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -799.942956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -799.942956 (E_RNA) where: Base-Base interactions energy: -536.600 where: short stacking energy: -233.810 Base-Backbone interact. energy: 0.184 local terms energy: -263.527809 where: bonds (distance) C4'-P energy: -48.355 bonds (distance) P-C4' energy: -59.193 flat angles C4'-P-C4' energy: -62.666 flat angles P-C4'-P energy: -30.302 tors. eta vs tors. theta energy: -63.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -720.586687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.586687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.586687 (E_RNA) where: Base-Base interactions energy: -464.180 where: short stacking energy: -202.679 Base-Backbone interact. energy: -1.276 local terms energy: -255.130035 where: bonds (distance) C4'-P energy: -53.643 bonds (distance) P-C4' energy: -63.647 flat angles C4'-P-C4' energy: -69.968 flat angles P-C4'-P energy: -33.355 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: 8, replica: 4 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -618.827048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.827048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.827048 (E_RNA) where: Base-Base interactions energy: -380.979 where: short stacking energy: -170.628 Base-Backbone interact. energy: -1.277 local terms energy: -236.570751 where: bonds (distance) C4'-P energy: -56.541 bonds (distance) P-C4' energy: -56.836 flat angles C4'-P-C4' energy: -53.627 flat angles P-C4'-P energy: -36.676 tors. eta vs tors. theta energy: -32.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -544.225331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.225331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.225331 (E_RNA) where: Base-Base interactions energy: -319.733 where: short stacking energy: -160.771 Base-Backbone interact. energy: -1.261 local terms energy: -223.231888 where: bonds (distance) C4'-P energy: -64.950 bonds (distance) P-C4' energy: -56.189 flat angles C4'-P-C4' energy: -54.048 flat angles P-C4'-P energy: -28.211 tors. eta vs tors. theta energy: -19.834 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: 10, replica: 7 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -442.773564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.773564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.773564 (E_RNA) where: Base-Base interactions energy: -232.593 where: short stacking energy: -135.475 Base-Backbone interact. energy: -1.716 local terms energy: -208.464830 where: bonds (distance) C4'-P energy: -55.684 bonds (distance) P-C4' energy: -57.172 flat angles C4'-P-C4' energy: -41.694 flat angles P-C4'-P energy: -33.048 tors. eta vs tors. theta energy: -20.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -1174.036888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.036888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.036888 (E_RNA) where: Base-Base interactions energy: -833.335 where: short stacking energy: -349.342 Base-Backbone interact. energy: -2.675 local terms energy: -338.027120 where: bonds (distance) C4'-P energy: -57.055 bonds (distance) P-C4' energy: -64.622 flat angles C4'-P-C4' energy: -69.911 flat angles P-C4'-P energy: -42.977 tors. eta vs tors. theta energy: -103.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -1129.083997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1129.083997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1129.083997 (E_RNA) where: Base-Base interactions energy: -790.353 where: short stacking energy: -321.586 Base-Backbone interact. energy: -3.336 local terms energy: -335.394529 where: bonds (distance) C4'-P energy: -55.328 bonds (distance) P-C4' energy: -60.649 flat angles C4'-P-C4' energy: -73.219 flat angles P-C4'-P energy: -51.706 tors. eta vs tors. theta energy: -94.493 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: 3, replica: 6 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -1044.594978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.594978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.594978 (E_RNA) where: Base-Base interactions energy: -702.253 where: short stacking energy: -317.265 Base-Backbone interact. energy: -0.334 local terms energy: -342.008833 where: bonds (distance) C4'-P energy: -60.562 bonds (distance) P-C4' energy: -71.481 flat angles C4'-P-C4' energy: -73.194 flat angles P-C4'-P energy: -47.351 tors. eta vs tors. theta energy: -89.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -1003.245884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.245884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.245884 (E_RNA) where: Base-Base interactions energy: -693.697 where: short stacking energy: -291.123 Base-Backbone interact. energy: -0.659 local terms energy: -308.889069 where: bonds (distance) C4'-P energy: -51.077 bonds (distance) P-C4' energy: -59.783 flat angles C4'-P-C4' energy: -61.943 flat angles P-C4'-P energy: -49.189 tors. eta vs tors. theta energy: -86.897 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: 1 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -914.133435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.133435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.133435 (E_RNA) where: Base-Base interactions energy: -613.459 where: short stacking energy: -275.169 Base-Backbone interact. energy: 0.951 local terms energy: -301.625264 where: bonds (distance) C4'-P energy: -58.197 bonds (distance) P-C4' energy: -59.904 flat angles C4'-P-C4' energy: -65.841 flat angles P-C4'-P energy: -42.875 tors. eta vs tors. theta energy: -74.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -780.824735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -780.824735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -780.824735 (E_RNA) where: Base-Base interactions energy: -474.875 where: short stacking energy: -232.493 Base-Backbone interact. energy: -1.171 local terms energy: -304.778402 where: bonds (distance) C4'-P energy: -60.081 bonds (distance) P-C4' energy: -65.834 flat angles C4'-P-C4' energy: -73.854 flat angles P-C4'-P energy: -45.679 tors. eta vs tors. theta energy: -59.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -752.543532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.543532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.543532 (E_RNA) where: Base-Base interactions energy: -472.707 where: short stacking energy: -216.925 Base-Backbone interact. energy: -1.583 local terms energy: -278.253239 where: bonds (distance) C4'-P energy: -59.532 bonds (distance) P-C4' energy: -69.448 flat angles C4'-P-C4' energy: -61.813 flat angles P-C4'-P energy: -39.321 tors. eta vs tors. theta energy: -48.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 331 Temperature: 1.250000 Total energy: -612.323819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.323819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.323819 (E_RNA) where: Base-Base interactions energy: -383.145 where: short stacking energy: -175.331 Base-Backbone interact. energy: -0.855 local terms energy: -228.323061 where: bonds (distance) C4'-P energy: -58.030 bonds (distance) P-C4' energy: -60.813 flat angles C4'-P-C4' energy: -46.318 flat angles P-C4'-P energy: -31.695 tors. eta vs tors. theta energy: -31.466 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: 9, replica: 2 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -544.559887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.559887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.559887 (E_RNA) where: Base-Base interactions energy: -356.976 where: short stacking energy: -154.933 Base-Backbone interact. energy: -2.635 local terms energy: -184.948571 where: bonds (distance) C4'-P energy: -56.848 bonds (distance) P-C4' energy: -47.488 flat angles C4'-P-C4' energy: -41.274 flat angles P-C4'-P energy: -27.681 tors. eta vs tors. theta energy: -11.658 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: 10, replica: 7 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -415.819033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.819033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.819033 (E_RNA) where: Base-Base interactions energy: -218.595 where: short stacking energy: -120.432 Base-Backbone interact. energy: 1.016 local terms energy: -198.240349 where: bonds (distance) C4'-P energy: -43.523 bonds (distance) P-C4' energy: -73.101 flat angles C4'-P-C4' energy: -42.233 flat angles P-C4'-P energy: -24.756 tors. eta vs tors. theta energy: -14.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -1186.337727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.337727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.337727 (E_RNA) where: Base-Base interactions energy: -814.991 where: short stacking energy: -340.345 Base-Backbone interact. energy: 0.816 local terms energy: -372.162942 where: bonds (distance) C4'-P energy: -69.074 bonds (distance) P-C4' energy: -69.989 flat angles C4'-P-C4' energy: -77.913 flat angles P-C4'-P energy: -47.044 tors. eta vs tors. theta energy: -108.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -1147.596624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.596624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.596624 (E_RNA) where: Base-Base interactions energy: -794.399 where: short stacking energy: -336.982 Base-Backbone interact. energy: 3.021 local terms energy: -356.218506 where: bonds (distance) C4'-P energy: -67.886 bonds (distance) P-C4' energy: -64.377 flat angles C4'-P-C4' energy: -74.356 flat angles P-C4'-P energy: -53.387 tors. eta vs tors. theta energy: -96.212 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: 6 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -1060.842849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.842849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.842849 (E_RNA) where: Base-Base interactions energy: -723.063 where: short stacking energy: -331.474 Base-Backbone interact. energy: -1.500 local terms energy: -336.279728 where: bonds (distance) C4'-P energy: -64.761 bonds (distance) P-C4' energy: -60.300 flat angles C4'-P-C4' energy: -70.034 flat angles P-C4'-P energy: -44.338 tors. eta vs tors. theta energy: -96.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -1021.469195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.469195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.469195 (E_RNA) where: Base-Base interactions energy: -700.623 where: short stacking energy: -285.714 Base-Backbone interact. energy: -2.820 local terms energy: -318.025739 where: bonds (distance) C4'-P energy: -61.567 bonds (distance) P-C4' energy: -61.016 flat angles C4'-P-C4' energy: -67.305 flat angles P-C4'-P energy: -46.334 tors. eta vs tors. theta energy: -81.804 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: 5 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -835.774697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.774697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.774697 (E_RNA) where: Base-Base interactions energy: -552.777 where: short stacking energy: -257.936 Base-Backbone interact. energy: -1.957 local terms energy: -281.041361 where: bonds (distance) C4'-P energy: -51.657 bonds (distance) P-C4' energy: -61.788 flat angles C4'-P-C4' energy: -55.416 flat angles P-C4'-P energy: -41.209 tors. eta vs tors. theta energy: -70.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -865.071883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.071883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.071883 (E_RNA) where: Base-Base interactions energy: -561.496 where: short stacking energy: -247.641 Base-Backbone interact. energy: -2.390 local terms energy: -301.186440 where: bonds (distance) C4'-P energy: -67.375 bonds (distance) P-C4' energy: -57.966 flat angles C4'-P-C4' energy: -65.990 flat angles P-C4'-P energy: -45.029 tors. eta vs tors. theta energy: -64.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -710.334828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.334828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.334828 (E_RNA) where: Base-Base interactions energy: -458.847 where: short stacking energy: -212.312 Base-Backbone interact. energy: -0.715 local terms energy: -250.771998 where: bonds (distance) C4'-P energy: -62.997 bonds (distance) P-C4' energy: -49.870 flat angles C4'-P-C4' energy: -58.476 flat angles P-C4'-P energy: -36.524 tors. eta vs tors. theta energy: -42.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -566.673150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.673150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.673150 (E_RNA) where: Base-Base interactions energy: -350.793 where: short stacking energy: -170.334 Base-Backbone interact. energy: -2.746 local terms energy: -213.134382 where: bonds (distance) C4'-P energy: -58.376 bonds (distance) P-C4' energy: -51.044 flat angles C4'-P-C4' energy: -51.183 flat angles P-C4'-P energy: -38.414 tors. eta vs tors. theta energy: -14.117 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: 2 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -571.252900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.252900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.252900 (E_RNA) where: Base-Base interactions energy: -346.006 where: short stacking energy: -151.079 Base-Backbone interact. energy: 1.310 local terms energy: -226.556617 where: bonds (distance) C4'-P energy: -57.718 bonds (distance) P-C4' energy: -58.323 flat angles C4'-P-C4' energy: -37.655 flat angles P-C4'-P energy: -41.012 tors. eta vs tors. theta energy: -31.847 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: 7 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -409.573506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -409.573506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -409.573506 (E_RNA) where: Base-Base interactions energy: -217.918 where: short stacking energy: -131.289 Base-Backbone interact. energy: 2.015 local terms energy: -193.670916 where: bonds (distance) C4'-P energy: -52.620 bonds (distance) P-C4' energy: -59.273 flat angles C4'-P-C4' energy: -43.964 flat angles P-C4'-P energy: -27.999 tors. eta vs tors. theta energy: -9.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -1154.954041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.954041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.954041 (E_RNA) where: Base-Base interactions energy: -807.620 where: short stacking energy: -330.281 Base-Backbone interact. energy: -6.217 local terms energy: -341.117001 where: bonds (distance) C4'-P energy: -60.602 bonds (distance) P-C4' energy: -62.639 flat angles C4'-P-C4' energy: -70.779 flat angles P-C4'-P energy: -43.210 tors. eta vs tors. theta energy: -103.887 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: 9 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -1134.582623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.582623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.582623 (E_RNA) where: Base-Base interactions energy: -780.307 where: short stacking energy: -337.501 Base-Backbone interact. energy: 2.414 local terms energy: -356.690332 where: bonds (distance) C4'-P energy: -65.416 bonds (distance) P-C4' energy: -72.520 flat angles C4'-P-C4' energy: -68.463 flat angles P-C4'-P energy: -53.883 tors. eta vs tors. theta energy: -96.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -1073.105276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.105276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.105276 (E_RNA) where: Base-Base interactions energy: -726.593 where: short stacking energy: -335.334 Base-Backbone interact. energy: -0.132 local terms energy: -346.380359 where: bonds (distance) C4'-P energy: -57.978 bonds (distance) P-C4' energy: -65.274 flat angles C4'-P-C4' energy: -74.309 flat angles P-C4'-P energy: -45.594 tors. eta vs tors. theta energy: -103.226 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: 8 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -1024.972149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.972149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.972149 (E_RNA) where: Base-Base interactions energy: -713.555 where: short stacking energy: -300.773 Base-Backbone interact. energy: -0.692 local terms energy: -310.725134 where: bonds (distance) C4'-P energy: -59.987 bonds (distance) P-C4' energy: -53.707 flat angles C4'-P-C4' energy: -69.124 flat angles P-C4'-P energy: -49.937 tors. eta vs tors. theta energy: -77.969 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: 5 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -845.986741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.986741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.986741 (E_RNA) where: Base-Base interactions energy: -560.265 where: short stacking energy: -253.061 Base-Backbone interact. energy: -0.826 local terms energy: -284.895439 where: bonds (distance) C4'-P energy: -47.547 bonds (distance) P-C4' energy: -65.450 flat angles C4'-P-C4' energy: -63.615 flat angles P-C4'-P energy: -46.140 tors. eta vs tors. theta energy: -62.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -868.791464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.791464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.791464 (E_RNA) where: Base-Base interactions energy: -567.789 where: short stacking energy: -258.366 Base-Backbone interact. energy: -1.198 local terms energy: -299.804085 where: bonds (distance) C4'-P energy: -54.795 bonds (distance) P-C4' energy: -60.375 flat angles C4'-P-C4' energy: -60.765 flat angles P-C4'-P energy: -48.396 tors. eta vs tors. theta energy: -75.473 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: 3 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -721.067955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.067955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.067955 (E_RNA) where: Base-Base interactions energy: -464.962 where: short stacking energy: -215.636 Base-Backbone interact. energy: -0.801 local terms energy: -255.304588 where: bonds (distance) C4'-P energy: -64.358 bonds (distance) P-C4' energy: -52.925 flat angles C4'-P-C4' energy: -47.221 flat angles P-C4'-P energy: -40.312 tors. eta vs tors. theta energy: -50.488 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: 4 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -571.109509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.109509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.109509 (E_RNA) where: Base-Base interactions energy: -331.316 where: short stacking energy: -149.229 Base-Backbone interact. energy: -1.148 local terms energy: -238.645284 where: bonds (distance) C4'-P energy: -63.238 bonds (distance) P-C4' energy: -56.340 flat angles C4'-P-C4' energy: -50.185 flat angles P-C4'-P energy: -36.091 tors. eta vs tors. theta energy: -32.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -535.160790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -535.160790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -535.160790 (E_RNA) where: Base-Base interactions energy: -297.937 where: short stacking energy: -137.864 Base-Backbone interact. energy: -1.386 local terms energy: -235.838064 where: bonds (distance) C4'-P energy: -59.740 bonds (distance) P-C4' energy: -62.259 flat angles C4'-P-C4' energy: -47.941 flat angles P-C4'-P energy: -39.550 tors. eta vs tors. theta energy: -26.349 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: 10, replica: 7 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -412.899444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.899444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.899444 (E_RNA) where: Base-Base interactions energy: -215.172 where: short stacking energy: -117.680 Base-Backbone interact. energy: -2.009 local terms energy: -195.718243 where: bonds (distance) C4'-P energy: -56.487 bonds (distance) P-C4' energy: -58.541 flat angles C4'-P-C4' energy: -51.238 flat angles P-C4'-P energy: -23.427 tors. eta vs tors. theta energy: -6.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -1177.100281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.100281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.100281 (E_RNA) where: Base-Base interactions energy: -823.410 where: short stacking energy: -350.369 Base-Backbone interact. energy: -0.280 local terms energy: -353.410956 where: bonds (distance) C4'-P energy: -62.429 bonds (distance) P-C4' energy: -67.142 flat angles C4'-P-C4' energy: -72.034 flat angles P-C4'-P energy: -48.525 tors. eta vs tors. theta energy: -103.280 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: 2, replica: 9 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -1136.204289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.204289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.204289 (E_RNA) where: Base-Base interactions energy: -786.470 where: short stacking energy: -339.105 Base-Backbone interact. energy: -1.764 local terms energy: -347.970230 where: bonds (distance) C4'-P energy: -65.400 bonds (distance) P-C4' energy: -60.355 flat angles C4'-P-C4' energy: -74.333 flat angles P-C4'-P energy: -49.676 tors. eta vs tors. theta energy: -98.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -1062.502163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.502163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.502163 (E_RNA) where: Base-Base interactions energy: -717.234 where: short stacking energy: -327.226 Base-Backbone interact. energy: -0.712 local terms energy: -344.555859 where: bonds (distance) C4'-P energy: -62.704 bonds (distance) P-C4' energy: -62.960 flat angles C4'-P-C4' energy: -73.594 flat angles P-C4'-P energy: -51.202 tors. eta vs tors. theta energy: -94.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -991.052374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.052374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.052374 (E_RNA) where: Base-Base interactions energy: -682.972 where: short stacking energy: -268.676 Base-Backbone interact. energy: -1.672 local terms energy: -306.408827 where: bonds (distance) C4'-P energy: -62.982 bonds (distance) P-C4' energy: -65.572 flat angles C4'-P-C4' energy: -64.809 flat angles P-C4'-P energy: -49.040 tors. eta vs tors. theta energy: -64.006 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: 1 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -886.537408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.537408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.537408 (E_RNA) where: Base-Base interactions energy: -588.693 where: short stacking energy: -250.569 Base-Backbone interact. energy: -0.082 local terms energy: -297.762119 where: bonds (distance) C4'-P energy: -59.212 bonds (distance) P-C4' energy: -60.545 flat angles C4'-P-C4' energy: -68.782 flat angles P-C4'-P energy: -40.760 tors. eta vs tors. theta energy: -68.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -864.719771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.719771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.719771 (E_RNA) where: Base-Base interactions energy: -576.489 where: short stacking energy: -229.907 Base-Backbone interact. energy: -3.435 local terms energy: -284.795762 where: bonds (distance) C4'-P energy: -54.157 bonds (distance) P-C4' energy: -67.047 flat angles C4'-P-C4' energy: -62.369 flat angles P-C4'-P energy: -49.897 tors. eta vs tors. theta energy: -51.326 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: 7, replica: 3 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -707.266096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -707.266096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -707.266096 (E_RNA) where: Base-Base interactions energy: -465.450 where: short stacking energy: -210.549 Base-Backbone interact. energy: -0.161 local terms energy: -241.655469 where: bonds (distance) C4'-P energy: -46.003 bonds (distance) P-C4' energy: -60.692 flat angles C4'-P-C4' energy: -61.431 flat angles P-C4'-P energy: -28.875 tors. eta vs tors. theta energy: -44.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -608.969098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.969098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.969098 (E_RNA) where: Base-Base interactions energy: -383.751 where: short stacking energy: -170.321 Base-Backbone interact. energy: 1.528 local terms energy: -226.746331 where: bonds (distance) C4'-P energy: -69.513 bonds (distance) P-C4' energy: -61.678 flat angles C4'-P-C4' energy: -37.525 flat angles P-C4'-P energy: -36.692 tors. eta vs tors. theta energy: -21.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -570.369065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.369065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.369065 (E_RNA) where: Base-Base interactions energy: -338.625 where: short stacking energy: -176.886 Base-Backbone interact. energy: 0.962 local terms energy: -232.706186 where: bonds (distance) C4'-P energy: -54.348 bonds (distance) P-C4' energy: -58.176 flat angles C4'-P-C4' energy: -50.546 flat angles P-C4'-P energy: -38.499 tors. eta vs tors. theta energy: -31.137 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: 7 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -411.932226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.932226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.932226 (E_RNA) where: Base-Base interactions energy: -227.262 where: short stacking energy: -131.022 Base-Backbone interact. energy: -2.253 local terms energy: -182.417498 where: bonds (distance) C4'-P energy: -48.785 bonds (distance) P-C4' energy: -52.376 flat angles C4'-P-C4' energy: -45.846 flat angles P-C4'-P energy: -33.573 tors. eta vs tors. theta energy: -1.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -1166.579758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.579758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.579758 (E_RNA) where: Base-Base interactions energy: -802.978 where: short stacking energy: -338.701 Base-Backbone interact. energy: -0.396 local terms energy: -363.206259 where: bonds (distance) C4'-P energy: -63.122 bonds (distance) P-C4' energy: -75.097 flat angles C4'-P-C4' energy: -68.969 flat angles P-C4'-P energy: -54.953 tors. eta vs tors. theta energy: -101.065 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: 2, replica: 9 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -1134.991527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.991527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.991527 (E_RNA) where: Base-Base interactions energy: -792.632 where: short stacking energy: -330.945 Base-Backbone interact. energy: -2.370 local terms energy: -339.988830 where: bonds (distance) C4'-P energy: -60.455 bonds (distance) P-C4' energy: -64.743 flat angles C4'-P-C4' energy: -73.334 flat angles P-C4'-P energy: -44.291 tors. eta vs tors. theta energy: -97.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -1048.117983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.117983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.117983 (E_RNA) where: Base-Base interactions energy: -701.627 where: short stacking energy: -323.935 Base-Backbone interact. energy: 2.379 local terms energy: -348.870531 where: bonds (distance) C4'-P energy: -61.770 bonds (distance) P-C4' energy: -66.479 flat angles C4'-P-C4' energy: -76.853 flat angles P-C4'-P energy: -48.042 tors. eta vs tors. theta energy: -95.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 335 Temperature: 1.050000 Total energy: -1009.985867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.985867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.985867 (E_RNA) where: Base-Base interactions energy: -673.582 where: short stacking energy: -287.137 Base-Backbone interact. energy: -1.968 local terms energy: -334.435551 where: bonds (distance) C4'-P energy: -54.064 bonds (distance) P-C4' energy: -71.348 flat angles C4'-P-C4' energy: -67.948 flat angles P-C4'-P energy: -58.793 tors. eta vs tors. theta energy: -82.283 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: 5, replica: 1 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -920.779477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.779477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.779477 (E_RNA) where: Base-Base interactions energy: -625.429 where: short stacking energy: -276.713 Base-Backbone interact. energy: -2.503 local terms energy: -292.847422 where: bonds (distance) C4'-P energy: -49.789 bonds (distance) P-C4' energy: -59.626 flat angles C4'-P-C4' energy: -71.801 flat angles P-C4'-P energy: -37.233 tors. eta vs tors. theta energy: -74.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -850.994234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.994234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.994234 (E_RNA) where: Base-Base interactions energy: -574.698 where: short stacking energy: -244.291 Base-Backbone interact. energy: -0.183 local terms energy: -276.112983 where: bonds (distance) C4'-P energy: -57.883 bonds (distance) P-C4' energy: -53.509 flat angles C4'-P-C4' energy: -64.246 flat angles P-C4'-P energy: -40.094 tors. eta vs tors. theta energy: -60.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -752.996580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.996580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.996580 (E_RNA) where: Base-Base interactions energy: -503.017 where: short stacking energy: -230.414 Base-Backbone interact. energy: -1.153 local terms energy: -248.826100 where: bonds (distance) C4'-P energy: -51.226 bonds (distance) P-C4' energy: -54.833 flat angles C4'-P-C4' energy: -63.220 flat angles P-C4'-P energy: -37.443 tors. eta vs tors. theta energy: -42.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -586.182759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.182759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.182759 (E_RNA) where: Base-Base interactions energy: -354.963 where: short stacking energy: -161.675 Base-Backbone interact. energy: 2.210 local terms energy: -233.430184 where: bonds (distance) C4'-P energy: -52.707 bonds (distance) P-C4' energy: -65.598 flat angles C4'-P-C4' energy: -52.130 flat angles P-C4'-P energy: -31.165 tors. eta vs tors. theta energy: -31.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -567.660274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.660274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.660274 (E_RNA) where: Base-Base interactions energy: -355.709 where: short stacking energy: -156.624 Base-Backbone interact. energy: 2.757 local terms energy: -214.708116 where: bonds (distance) C4'-P energy: -53.122 bonds (distance) P-C4' energy: -55.492 flat angles C4'-P-C4' energy: -58.050 flat angles P-C4'-P energy: -27.033 tors. eta vs tors. theta energy: -21.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -427.603547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.603547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.603547 (E_RNA) where: Base-Base interactions energy: -241.766 where: short stacking energy: -140.350 Base-Backbone interact. energy: 0.029 local terms energy: -185.866117 where: bonds (distance) C4'-P energy: -54.134 bonds (distance) P-C4' energy: -53.980 flat angles C4'-P-C4' energy: -49.238 flat angles P-C4'-P energy: -24.407 tors. eta vs tors. theta energy: -4.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -1156.702639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.702639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.702639 (E_RNA) where: Base-Base interactions energy: -803.571 where: short stacking energy: -332.455 Base-Backbone interact. energy: -1.575 local terms energy: -351.557052 where: bonds (distance) C4'-P energy: -63.406 bonds (distance) P-C4' energy: -66.440 flat angles C4'-P-C4' energy: -77.247 flat angles P-C4'-P energy: -51.369 tors. eta vs tors. theta energy: -93.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -1154.966816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.966816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.966816 (E_RNA) where: Base-Base interactions energy: -797.737 where: short stacking energy: -328.740 Base-Backbone interact. energy: -3.049 local terms energy: -354.180335 where: bonds (distance) C4'-P energy: -61.363 bonds (distance) P-C4' energy: -66.215 flat angles C4'-P-C4' energy: -74.853 flat angles P-C4'-P energy: -51.196 tors. eta vs tors. theta energy: -100.553 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: 6 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -1020.569969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.569969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.569969 (E_RNA) where: Base-Base interactions energy: -708.639 where: short stacking energy: -315.222 Base-Backbone interact. energy: -1.976 local terms energy: -309.955596 where: bonds (distance) C4'-P energy: -45.909 bonds (distance) P-C4' energy: -52.047 flat angles C4'-P-C4' energy: -61.857 flat angles P-C4'-P energy: -53.247 tors. eta vs tors. theta energy: -96.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -982.113751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.113751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.113751 (E_RNA) where: Base-Base interactions energy: -691.692 where: short stacking energy: -290.868 Base-Backbone interact. energy: 0.174 local terms energy: -290.596170 where: bonds (distance) C4'-P energy: -44.459 bonds (distance) P-C4' energy: -56.546 flat angles C4'-P-C4' energy: -74.240 flat angles P-C4'-P energy: -38.513 tors. eta vs tors. theta energy: -76.838 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: 5 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -945.857497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -945.857497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -945.857497 (E_RNA) where: Base-Base interactions energy: -656.333 where: short stacking energy: -271.029 Base-Backbone interact. energy: -1.875 local terms energy: -287.649849 where: bonds (distance) C4'-P energy: -57.079 bonds (distance) P-C4' energy: -59.382 flat angles C4'-P-C4' energy: -62.406 flat angles P-C4'-P energy: -39.459 tors. eta vs tors. theta energy: -69.324 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: 1 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -903.355576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -903.355576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -903.355576 (E_RNA) where: Base-Base interactions energy: -622.728 where: short stacking energy: -253.871 Base-Backbone interact. energy: -2.298 local terms energy: -278.329092 where: bonds (distance) C4'-P energy: -54.592 bonds (distance) P-C4' energy: -50.769 flat angles C4'-P-C4' energy: -67.335 flat angles P-C4'-P energy: -43.467 tors. eta vs tors. theta energy: -62.165 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: 3 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -721.178159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.178159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.178159 (E_RNA) where: Base-Base interactions energy: -475.308 where: short stacking energy: -206.097 Base-Backbone interact. energy: -2.649 local terms energy: -243.220906 where: bonds (distance) C4'-P energy: -45.907 bonds (distance) P-C4' energy: -56.577 flat angles C4'-P-C4' energy: -63.695 flat angles P-C4'-P energy: -32.640 tors. eta vs tors. theta energy: -44.402 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: 8, replica: 2 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -586.346772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.346772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.346772 (E_RNA) where: Base-Base interactions energy: -382.747 where: short stacking energy: -165.678 Base-Backbone interact. energy: -0.920 local terms energy: -202.679274 where: bonds (distance) C4'-P energy: -50.926 bonds (distance) P-C4' energy: -57.556 flat angles C4'-P-C4' energy: -46.643 flat angles P-C4'-P energy: -36.397 tors. eta vs tors. theta energy: -11.157 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: 9, replica: 4 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -586.624147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.624147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.624147 (E_RNA) where: Base-Base interactions energy: -358.594 where: short stacking energy: -164.330 Base-Backbone interact. energy: -2.293 local terms energy: -225.737493 where: bonds (distance) C4'-P energy: -49.567 bonds (distance) P-C4' energy: -63.682 flat angles C4'-P-C4' energy: -62.000 flat angles P-C4'-P energy: -24.227 tors. eta vs tors. theta energy: -26.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -407.231208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.231208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.231208 (E_RNA) where: Base-Base interactions energy: -204.219 where: short stacking energy: -90.402 Base-Backbone interact. energy: -1.645 local terms energy: -201.367555 where: bonds (distance) C4'-P energy: -59.510 bonds (distance) P-C4' energy: -55.934 flat angles C4'-P-C4' energy: -50.341 flat angles P-C4'-P energy: -36.317 tors. eta vs tors. theta energy: 0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -1154.743656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.743656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.743656 (E_RNA) where: Base-Base interactions energy: -809.811 where: short stacking energy: -326.515 Base-Backbone interact. energy: 0.306 local terms energy: -345.238738 where: bonds (distance) C4'-P energy: -65.670 bonds (distance) P-C4' energy: -72.186 flat angles C4'-P-C4' energy: -67.599 flat angles P-C4'-P energy: -44.107 tors. eta vs tors. theta energy: -95.676 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: 10 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -1159.398965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.398965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.398965 (E_RNA) where: Base-Base interactions energy: -798.329 where: short stacking energy: -329.090 Base-Backbone interact. energy: -3.183 local terms energy: -357.886596 where: bonds (distance) C4'-P energy: -63.205 bonds (distance) P-C4' energy: -69.670 flat angles C4'-P-C4' energy: -62.037 flat angles P-C4'-P energy: -53.794 tors. eta vs tors. theta energy: -109.180 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: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -1039.333410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1039.333410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1039.333410 (E_RNA) where: Base-Base interactions energy: -689.844 where: short stacking energy: -312.251 Base-Backbone interact. energy: -0.501 local terms energy: -348.988500 where: bonds (distance) C4'-P energy: -63.353 bonds (distance) P-C4' energy: -63.688 flat angles C4'-P-C4' energy: -72.539 flat angles P-C4'-P energy: -52.108 tors. eta vs tors. theta energy: -97.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -998.001344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.001344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.001344 (E_RNA) where: Base-Base interactions energy: -680.964 where: short stacking energy: -285.875 Base-Backbone interact. energy: -1.448 local terms energy: -315.589291 where: bonds (distance) C4'-P energy: -60.132 bonds (distance) P-C4' energy: -62.415 flat angles C4'-P-C4' energy: -63.914 flat angles P-C4'-P energy: -45.461 tors. eta vs tors. theta energy: -83.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -927.109847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.109847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.109847 (E_RNA) where: Base-Base interactions energy: -630.066 where: short stacking energy: -274.419 Base-Backbone interact. energy: -0.612 local terms energy: -296.431695 where: bonds (distance) C4'-P energy: -52.534 bonds (distance) P-C4' energy: -61.594 flat angles C4'-P-C4' energy: -66.984 flat angles P-C4'-P energy: -36.417 tors. eta vs tors. theta energy: -78.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -882.704086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.704086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.704086 (E_RNA) where: Base-Base interactions energy: -584.867 where: short stacking energy: -252.391 Base-Backbone interact. energy: -1.761 local terms energy: -296.075615 where: bonds (distance) C4'-P energy: -61.182 bonds (distance) P-C4' energy: -55.737 flat angles C4'-P-C4' energy: -70.803 flat angles P-C4'-P energy: -43.917 tors. eta vs tors. theta energy: -64.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -705.695676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.695676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.695676 (E_RNA) where: Base-Base interactions energy: -449.480 where: short stacking energy: -208.388 Base-Backbone interact. energy: 1.491 local terms energy: -257.706146 where: bonds (distance) C4'-P energy: -56.257 bonds (distance) P-C4' energy: -57.500 flat angles C4'-P-C4' energy: -65.571 flat angles P-C4'-P energy: -30.610 tors. eta vs tors. theta energy: -47.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -595.145004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.145004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.145004 (E_RNA) where: Base-Base interactions energy: -356.788 where: short stacking energy: -176.007 Base-Backbone interact. energy: 1.449 local terms energy: -239.806507 where: bonds (distance) C4'-P energy: -57.391 bonds (distance) P-C4' energy: -60.535 flat angles C4'-P-C4' energy: -60.782 flat angles P-C4'-P energy: -28.302 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: 9, replica: 2 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -538.282226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -538.282226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -538.282226 (E_RNA) where: Base-Base interactions energy: -322.875 where: short stacking energy: -151.344 Base-Backbone interact. energy: -0.623 local terms energy: -214.783922 where: bonds (distance) C4'-P energy: -54.120 bonds (distance) P-C4' energy: -61.257 flat angles C4'-P-C4' energy: -55.225 flat angles P-C4'-P energy: -32.176 tors. eta vs tors. theta energy: -12.005 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: 7 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -413.026417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.026417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.026417 (E_RNA) where: Base-Base interactions energy: -241.115 where: short stacking energy: -142.029 Base-Backbone interact. energy: 5.679 local terms energy: -177.590216 where: bonds (distance) C4'-P energy: -52.380 bonds (distance) P-C4' energy: -46.120 flat angles C4'-P-C4' energy: -44.031 flat angles P-C4'-P energy: -24.442 tors. eta vs tors. theta energy: -10.618 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: 9 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -1161.021657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.021657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.021657 (E_RNA) where: Base-Base interactions energy: -814.326 where: short stacking energy: -332.705 Base-Backbone interact. energy: -0.538 local terms energy: -346.157146 where: bonds (distance) C4'-P energy: -56.578 bonds (distance) P-C4' energy: -66.523 flat angles C4'-P-C4' energy: -73.775 flat angles P-C4'-P energy: -46.328 tors. eta vs tors. theta energy: -102.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -1161.729900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.729900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.729900 (E_RNA) where: Base-Base interactions energy: -805.104 where: short stacking energy: -327.502 Base-Backbone interact. energy: -2.738 local terms energy: -353.888040 where: bonds (distance) C4'-P energy: -65.839 bonds (distance) P-C4' energy: -61.298 flat angles C4'-P-C4' energy: -74.558 flat angles P-C4'-P energy: -49.229 tors. eta vs tors. theta energy: -102.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -1054.498897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1054.498897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1054.498897 (E_RNA) where: Base-Base interactions energy: -727.523 where: short stacking energy: -331.408 Base-Backbone interact. energy: 0.472 local terms energy: -327.447868 where: bonds (distance) C4'-P energy: -64.375 bonds (distance) P-C4' energy: -49.109 flat angles C4'-P-C4' energy: -71.197 flat angles P-C4'-P energy: -42.101 tors. eta vs tors. theta energy: -100.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -1004.566528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.566528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.566528 (E_RNA) where: Base-Base interactions energy: -684.756 where: short stacking energy: -304.648 Base-Backbone interact. energy: -1.127 local terms energy: -318.683247 where: bonds (distance) C4'-P energy: -68.324 bonds (distance) P-C4' energy: -64.237 flat angles C4'-P-C4' energy: -65.205 flat angles P-C4'-P energy: -36.733 tors. eta vs tors. theta energy: -84.184 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: 5 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -892.571949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.571949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.571949 (E_RNA) where: Base-Base interactions energy: -577.948 where: short stacking energy: -241.702 Base-Backbone interact. energy: -0.434 local terms energy: -314.190127 where: bonds (distance) C4'-P energy: -66.042 bonds (distance) P-C4' energy: -70.354 flat angles C4'-P-C4' energy: -65.508 flat angles P-C4'-P energy: -48.210 tors. eta vs tors. theta energy: -64.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -879.715512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.715512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.715512 (E_RNA) where: Base-Base interactions energy: -579.863 where: short stacking energy: -232.206 Base-Backbone interact. energy: -0.297 local terms energy: -299.555468 where: bonds (distance) C4'-P energy: -57.719 bonds (distance) P-C4' energy: -59.497 flat angles C4'-P-C4' energy: -68.166 flat angles P-C4'-P energy: -45.384 tors. eta vs tors. theta energy: -68.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -709.177914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.177914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.177914 (E_RNA) where: Base-Base interactions energy: -440.631 where: short stacking energy: -209.018 Base-Backbone interact. energy: -0.293 local terms energy: -268.253781 where: bonds (distance) C4'-P energy: -56.085 bonds (distance) P-C4' energy: -64.036 flat angles C4'-P-C4' energy: -69.435 flat angles P-C4'-P energy: -30.306 tors. eta vs tors. theta energy: -48.392 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: 8, replica: 4 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -602.841371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -602.841371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -602.841371 (E_RNA) where: Base-Base interactions energy: -382.645 where: short stacking energy: -167.075 Base-Backbone interact. energy: -1.049 local terms energy: -219.147886 where: bonds (distance) C4'-P energy: -38.951 bonds (distance) P-C4' energy: -67.931 flat angles C4'-P-C4' energy: -57.745 flat angles P-C4'-P energy: -23.484 tors. eta vs tors. theta energy: -31.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -542.081642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -542.081642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -542.081642 (E_RNA) where: Base-Base interactions energy: -315.407 where: short stacking energy: -160.623 Base-Backbone interact. energy: -1.648 local terms energy: -225.027438 where: bonds (distance) C4'-P energy: -48.167 bonds (distance) P-C4' energy: -56.386 flat angles C4'-P-C4' energy: -52.071 flat angles P-C4'-P energy: -43.124 tors. eta vs tors. theta energy: -25.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -400.389322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.389322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.389322 (E_RNA) where: Base-Base interactions energy: -213.156 where: short stacking energy: -108.350 Base-Backbone interact. energy: -0.908 local terms energy: -186.325360 where: bonds (distance) C4'-P energy: -53.248 bonds (distance) P-C4' energy: -53.151 flat angles C4'-P-C4' energy: -57.423 flat angles P-C4'-P energy: -24.403 tors. eta vs tors. theta energy: 1.899 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: 9 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -1166.281458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.281458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.281458 (E_RNA) where: Base-Base interactions energy: -820.956 where: short stacking energy: -327.998 Base-Backbone interact. energy: 2.736 local terms energy: -348.061736 where: bonds (distance) C4'-P energy: -69.393 bonds (distance) P-C4' energy: -62.933 flat angles C4'-P-C4' energy: -70.103 flat angles P-C4'-P energy: -44.075 tors. eta vs tors. theta energy: -101.559 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: 10 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -1148.950705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.950705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.950705 (E_RNA) where: Base-Base interactions energy: -797.218 where: short stacking energy: -333.820 Base-Backbone interact. energy: -2.980 local terms energy: -348.752151 where: bonds (distance) C4'-P energy: -64.904 bonds (distance) P-C4' energy: -64.038 flat angles C4'-P-C4' energy: -68.795 flat angles P-C4'-P energy: -48.764 tors. eta vs tors. theta energy: -102.250 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: 6 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -1068.502754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.502754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.502754 (E_RNA) where: Base-Base interactions energy: -724.732 where: short stacking energy: -341.943 Base-Backbone interact. energy: -1.053 local terms energy: -342.716936 where: bonds (distance) C4'-P energy: -53.715 bonds (distance) P-C4' energy: -62.895 flat angles C4'-P-C4' energy: -75.597 flat angles P-C4'-P energy: -45.471 tors. eta vs tors. theta energy: -105.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -1018.974945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.974945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.974945 (E_RNA) where: Base-Base interactions energy: -708.459 where: short stacking energy: -294.525 Base-Backbone interact. energy: -1.620 local terms energy: -308.895608 where: bonds (distance) C4'-P energy: -45.433 bonds (distance) P-C4' energy: -65.127 flat angles C4'-P-C4' energy: -74.826 flat angles P-C4'-P energy: -42.470 tors. eta vs tors. theta energy: -81.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -892.087674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -892.087674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -892.087674 (E_RNA) where: Base-Base interactions energy: -594.800 where: short stacking energy: -274.201 Base-Backbone interact. energy: -2.618 local terms energy: -294.669641 where: bonds (distance) C4'-P energy: -57.758 bonds (distance) P-C4' energy: -66.119 flat angles C4'-P-C4' energy: -60.948 flat angles P-C4'-P energy: -34.825 tors. eta vs tors. theta energy: -75.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -887.233244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.233244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.233244 (E_RNA) where: Base-Base interactions energy: -598.381 where: short stacking energy: -264.578 Base-Backbone interact. energy: -2.734 local terms energy: -286.118437 where: bonds (distance) C4'-P energy: -64.548 bonds (distance) P-C4' energy: -53.234 flat angles C4'-P-C4' energy: -66.305 flat angles P-C4'-P energy: -41.015 tors. eta vs tors. theta energy: -61.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 339 Temperature: 1.200000 Total energy: -728.854587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.854587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.854587 (E_RNA) where: Base-Base interactions energy: -480.178 where: short stacking energy: -201.301 Base-Backbone interact. energy: 0.579 local terms energy: -249.255810 where: bonds (distance) C4'-P energy: -55.476 bonds (distance) P-C4' energy: -59.228 flat angles C4'-P-C4' energy: -64.124 flat angles P-C4'-P energy: -19.209 tors. eta vs tors. theta energy: -51.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -566.220018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.220018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.220018 (E_RNA) where: Base-Base interactions energy: -343.936 where: short stacking energy: -167.637 Base-Backbone interact. energy: 3.016 local terms energy: -225.300199 where: bonds (distance) C4'-P energy: -53.102 bonds (distance) P-C4' energy: -70.610 flat angles C4'-P-C4' energy: -50.762 flat angles P-C4'-P energy: -27.899 tors. eta vs tors. theta energy: -22.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -558.272192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.272192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.272192 (E_RNA) where: Base-Base interactions energy: -326.255 where: short stacking energy: -144.993 Base-Backbone interact. energy: -1.734 local terms energy: -230.282420 where: bonds (distance) C4'-P energy: -61.966 bonds (distance) P-C4' energy: -50.140 flat angles C4'-P-C4' energy: -55.200 flat angles P-C4'-P energy: -46.049 tors. eta vs tors. theta energy: -16.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -423.656326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.656326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.656326 (E_RNA) where: Base-Base interactions energy: -217.864 where: short stacking energy: -130.184 Base-Backbone interact. energy: 3.958 local terms energy: -209.750124 where: bonds (distance) C4'-P energy: -49.358 bonds (distance) P-C4' energy: -62.704 flat angles C4'-P-C4' energy: -31.829 flat angles P-C4'-P energy: -43.930 tors. eta vs tors. theta energy: -21.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -1165.045400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1165.045400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1165.045400 (E_RNA) where: Base-Base interactions energy: -811.163 where: short stacking energy: -342.619 Base-Backbone interact. energy: -1.582 local terms energy: -352.300614 where: bonds (distance) C4'-P energy: -61.046 bonds (distance) P-C4' energy: -72.004 flat angles C4'-P-C4' energy: -67.375 flat angles P-C4'-P energy: -51.312 tors. eta vs tors. theta energy: -100.564 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: 9 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -1134.716781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.716781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.716781 (E_RNA) where: Base-Base interactions energy: -805.775 where: short stacking energy: -329.317 Base-Backbone interact. energy: -0.463 local terms energy: -328.478875 where: bonds (distance) C4'-P energy: -58.940 bonds (distance) P-C4' energy: -63.887 flat angles C4'-P-C4' energy: -67.254 flat angles P-C4'-P energy: -43.590 tors. eta vs tors. theta energy: -94.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -1062.956840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.956840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.956840 (E_RNA) where: Base-Base interactions energy: -704.067 where: short stacking energy: -335.524 Base-Backbone interact. energy: 1.788 local terms energy: -360.677517 where: bonds (distance) C4'-P energy: -64.976 bonds (distance) P-C4' energy: -64.160 flat angles C4'-P-C4' energy: -74.577 flat angles P-C4'-P energy: -51.764 tors. eta vs tors. theta energy: -105.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -1018.503971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.503971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.503971 (E_RNA) where: Base-Base interactions energy: -686.527 where: short stacking energy: -306.444 Base-Backbone interact. energy: -2.415 local terms energy: -329.561589 where: bonds (distance) C4'-P energy: -65.275 bonds (distance) P-C4' energy: -64.194 flat angles C4'-P-C4' energy: -64.343 flat angles P-C4'-P energy: -47.203 tors. eta vs tors. theta energy: -88.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -948.799186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.799186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.799186 (E_RNA) where: Base-Base interactions energy: -650.787 where: short stacking energy: -288.660 Base-Backbone interact. energy: -1.282 local terms energy: -296.730238 where: bonds (distance) C4'-P energy: -57.697 bonds (distance) P-C4' energy: -53.641 flat angles C4'-P-C4' energy: -73.308 flat angles P-C4'-P energy: -38.950 tors. eta vs tors. theta energy: -73.134 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: 6, replica: 5 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -848.871564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.871564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.871564 (E_RNA) where: Base-Base interactions energy: -566.107 where: short stacking energy: -256.741 Base-Backbone interact. energy: -2.707 local terms energy: -280.057939 where: bonds (distance) C4'-P energy: -48.127 bonds (distance) P-C4' energy: -52.658 flat angles C4'-P-C4' energy: -67.107 flat angles P-C4'-P energy: -37.689 tors. eta vs tors. theta energy: -74.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -737.428017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.428017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.428017 (E_RNA) where: Base-Base interactions energy: -473.857 where: short stacking energy: -219.682 Base-Backbone interact. energy: 0.943 local terms energy: -264.513667 where: bonds (distance) C4'-P energy: -60.000 bonds (distance) P-C4' energy: -58.216 flat angles C4'-P-C4' energy: -51.203 flat angles P-C4'-P energy: -34.407 tors. eta vs tors. theta energy: -60.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -576.059737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -576.059737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -576.059737 (E_RNA) where: Base-Base interactions energy: -341.593 where: short stacking energy: -172.248 Base-Backbone interact. energy: 0.288 local terms energy: -234.754587 where: bonds (distance) C4'-P energy: -46.010 bonds (distance) P-C4' energy: -60.310 flat angles C4'-P-C4' energy: -56.835 flat angles P-C4'-P energy: -42.068 tors. eta vs tors. theta energy: -29.532 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: 340 Temperature: 1.300000 Total energy: -567.991185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -567.991185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -567.991185 (E_RNA) where: Base-Base interactions energy: -346.772 where: short stacking energy: -166.498 Base-Backbone interact. energy: 1.534 local terms energy: -222.753209 where: bonds (distance) C4'-P energy: -48.869 bonds (distance) P-C4' energy: -52.770 flat angles C4'-P-C4' energy: -60.501 flat angles P-C4'-P energy: -29.719 tors. eta vs tors. theta energy: -30.895 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: 7 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -429.289623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.289623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.289623 (E_RNA) where: Base-Base interactions energy: -234.560 where: short stacking energy: -134.140 Base-Backbone interact. energy: 3.956 local terms energy: -198.686056 where: bonds (distance) C4'-P energy: -60.005 bonds (distance) P-C4' energy: -55.179 flat angles C4'-P-C4' energy: -40.721 flat angles P-C4'-P energy: -36.702 tors. eta vs tors. theta energy: -6.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -1164.918904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.918904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.918904 (E_RNA) where: Base-Base interactions energy: -812.982 where: short stacking energy: -338.904 Base-Backbone interact. energy: -1.490 local terms energy: -350.446547 where: bonds (distance) C4'-P energy: -67.014 bonds (distance) P-C4' energy: -65.687 flat angles C4'-P-C4' energy: -73.318 flat angles P-C4'-P energy: -40.790 tors. eta vs tors. theta energy: -103.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -1144.854724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.854724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.854724 (E_RNA) where: Base-Base interactions energy: -790.456 where: short stacking energy: -338.203 Base-Backbone interact. energy: -2.067 local terms energy: -352.332094 where: bonds (distance) C4'-P energy: -64.401 bonds (distance) P-C4' energy: -62.797 flat angles C4'-P-C4' energy: -76.130 flat angles P-C4'-P energy: -45.578 tors. eta vs tors. theta energy: -103.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -1073.765044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.765044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.765044 (E_RNA) where: Base-Base interactions energy: -723.406 where: short stacking energy: -333.640 Base-Backbone interact. energy: -0.536 local terms energy: -349.822268 where: bonds (distance) C4'-P energy: -62.447 bonds (distance) P-C4' energy: -64.619 flat angles C4'-P-C4' energy: -66.642 flat angles P-C4'-P energy: -49.769 tors. eta vs tors. theta energy: -106.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -1068.198389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1068.198389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1068.198389 (E_RNA) where: Base-Base interactions energy: -731.736 where: short stacking energy: -311.585 Base-Backbone interact. energy: -1.544 local terms energy: -334.917950 where: bonds (distance) C4'-P energy: -67.214 bonds (distance) P-C4' energy: -64.149 flat angles C4'-P-C4' energy: -71.840 flat angles P-C4'-P energy: -42.170 tors. eta vs tors. theta energy: -89.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -961.547540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -961.547540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -961.547540 (E_RNA) where: Base-Base interactions energy: -651.932 where: short stacking energy: -277.588 Base-Backbone interact. energy: 2.870 local terms energy: -312.486101 where: bonds (distance) C4'-P energy: -60.962 bonds (distance) P-C4' energy: -55.243 flat angles C4'-P-C4' energy: -67.163 flat angles P-C4'-P energy: -43.877 tors. eta vs tors. theta energy: -85.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -847.163681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.163681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.163681 (E_RNA) where: Base-Base interactions energy: -547.540 where: short stacking energy: -234.433 Base-Backbone interact. energy: -0.756 local terms energy: -298.868229 where: bonds (distance) C4'-P energy: -66.717 bonds (distance) P-C4' energy: -64.875 flat angles C4'-P-C4' energy: -70.099 flat angles P-C4'-P energy: -33.696 tors. eta vs tors. theta energy: -63.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -719.206178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.206178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.206178 (E_RNA) where: Base-Base interactions energy: -484.934 where: short stacking energy: -215.105 Base-Backbone interact. energy: -1.468 local terms energy: -232.804022 where: bonds (distance) C4'-P energy: -51.322 bonds (distance) P-C4' energy: -48.876 flat angles C4'-P-C4' energy: -60.345 flat angles P-C4'-P energy: -30.051 tors. eta vs tors. theta energy: -42.211 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: 4 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -599.005440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -599.005440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -599.005440 (E_RNA) where: Base-Base interactions energy: -375.160 where: short stacking energy: -176.296 Base-Backbone interact. energy: -0.916 local terms energy: -222.929837 where: bonds (distance) C4'-P energy: -53.052 bonds (distance) P-C4' energy: -51.853 flat angles C4'-P-C4' energy: -57.765 flat angles P-C4'-P energy: -32.175 tors. eta vs tors. theta energy: -28.085 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: 2 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -579.907310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.907310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.907310 (E_RNA) where: Base-Base interactions energy: -339.062 where: short stacking energy: -169.567 Base-Backbone interact. energy: -0.138 local terms energy: -240.706689 where: bonds (distance) C4'-P energy: -61.243 bonds (distance) P-C4' energy: -55.699 flat angles C4'-P-C4' energy: -63.320 flat angles P-C4'-P energy: -22.356 tors. eta vs tors. theta energy: -38.088 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: 7 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -444.099798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -444.099798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -444.099798 (E_RNA) where: Base-Base interactions energy: -239.407 where: short stacking energy: -125.885 Base-Backbone interact. energy: 2.878 local terms energy: -207.571262 where: bonds (distance) C4'-P energy: -53.778 bonds (distance) P-C4' energy: -56.117 flat angles C4'-P-C4' energy: -54.738 flat angles P-C4'-P energy: -29.328 tors. eta vs tors. theta energy: -13.611 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: 9 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -1174.618804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.618804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.618804 (E_RNA) where: Base-Base interactions energy: -828.158 where: short stacking energy: -330.041 Base-Backbone interact. energy: 1.817 local terms energy: -348.277401 where: bonds (distance) C4'-P energy: -70.785 bonds (distance) P-C4' energy: -73.183 flat angles C4'-P-C4' energy: -63.827 flat angles P-C4'-P energy: -49.443 tors. eta vs tors. theta energy: -91.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -1138.193767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.193767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.193767 (E_RNA) where: Base-Base interactions energy: -790.037 where: short stacking energy: -322.623 Base-Backbone interact. energy: -2.302 local terms energy: -345.855546 where: bonds (distance) C4'-P energy: -59.224 bonds (distance) P-C4' energy: -61.924 flat angles C4'-P-C4' energy: -74.827 flat angles P-C4'-P energy: -48.758 tors. eta vs tors. theta energy: -101.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -1088.830836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1088.830836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1088.830836 (E_RNA) where: Base-Base interactions energy: -739.966 where: short stacking energy: -313.810 Base-Backbone interact. energy: -2.629 local terms energy: -346.235336 where: bonds (distance) C4'-P energy: -68.915 bonds (distance) P-C4' energy: -66.787 flat angles C4'-P-C4' energy: -59.447 flat angles P-C4'-P energy: -48.503 tors. eta vs tors. theta energy: -102.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -1021.517212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.517212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.517212 (E_RNA) where: Base-Base interactions energy: -673.613 where: short stacking energy: -304.484 Base-Backbone interact. energy: -1.177 local terms energy: -346.726853 where: bonds (distance) C4'-P energy: -56.237 bonds (distance) P-C4' energy: -65.492 flat angles C4'-P-C4' energy: -72.101 flat angles P-C4'-P energy: -51.670 tors. eta vs tors. theta energy: -101.228 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: 5, replica: 1 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -982.853782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.853782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.853782 (E_RNA) where: Base-Base interactions energy: -656.972 where: short stacking energy: -278.688 Base-Backbone interact. energy: -0.840 local terms energy: -325.041099 where: bonds (distance) C4'-P energy: -63.889 bonds (distance) P-C4' energy: -68.213 flat angles C4'-P-C4' energy: -76.341 flat angles P-C4'-P energy: -29.761 tors. eta vs tors. theta energy: -86.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -810.593992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.593992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.593992 (E_RNA) where: Base-Base interactions energy: -529.165 where: short stacking energy: -225.244 Base-Backbone interact. energy: -1.246 local terms energy: -280.183639 where: bonds (distance) C4'-P energy: -56.024 bonds (distance) P-C4' energy: -53.105 flat angles C4'-P-C4' energy: -67.005 flat angles P-C4'-P energy: -46.887 tors. eta vs tors. theta energy: -57.162 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: 7, replica: 3 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -712.786718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -712.786718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -712.786718 (E_RNA) where: Base-Base interactions energy: -452.579 where: short stacking energy: -193.684 Base-Backbone interact. energy: 0.880 local terms energy: -261.087712 where: bonds (distance) C4'-P energy: -58.340 bonds (distance) P-C4' energy: -49.315 flat angles C4'-P-C4' energy: -60.059 flat angles P-C4'-P energy: -48.633 tors. eta vs tors. theta energy: -44.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -601.027014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -601.027014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -601.027014 (E_RNA) where: Base-Base interactions energy: -368.789 where: short stacking energy: -165.235 Base-Backbone interact. energy: 3.877 local terms energy: -236.114506 where: bonds (distance) C4'-P energy: -66.009 bonds (distance) P-C4' energy: -54.825 flat angles C4'-P-C4' energy: -60.564 flat angles P-C4'-P energy: -26.263 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: 9, replica: 2 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -570.509907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.509907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.509907 (E_RNA) where: Base-Base interactions energy: -345.911 where: short stacking energy: -167.678 Base-Backbone interact. energy: 4.547 local terms energy: -229.145772 where: bonds (distance) C4'-P energy: -54.780 bonds (distance) P-C4' energy: -56.897 flat angles C4'-P-C4' energy: -55.004 flat angles P-C4'-P energy: -31.421 tors. eta vs tors. theta energy: -31.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -415.950646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.950646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.950646 (E_RNA) where: Base-Base interactions energy: -224.071 where: short stacking energy: -110.245 Base-Backbone interact. energy: -2.538 local terms energy: -189.342194 where: bonds (distance) C4'-P energy: -58.956 bonds (distance) P-C4' energy: -43.334 flat angles C4'-P-C4' energy: -44.142 flat angles P-C4'-P energy: -33.661 tors. eta vs tors. theta energy: -9.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -1174.511060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.511060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.511060 (E_RNA) where: Base-Base interactions energy: -805.867 where: short stacking energy: -335.271 Base-Backbone interact. energy: -3.596 local terms energy: -365.047828 where: bonds (distance) C4'-P energy: -67.243 bonds (distance) P-C4' energy: -75.345 flat angles C4'-P-C4' energy: -75.970 flat angles P-C4'-P energy: -45.737 tors. eta vs tors. theta energy: -100.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -1135.095944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.095944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.095944 (E_RNA) where: Base-Base interactions energy: -785.233 where: short stacking energy: -341.858 Base-Backbone interact. energy: -2.106 local terms energy: -347.756780 where: bonds (distance) C4'-P energy: -64.899 bonds (distance) P-C4' energy: -62.542 flat angles C4'-P-C4' energy: -68.164 flat angles P-C4'-P energy: -50.373 tors. eta vs tors. theta energy: -101.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -1099.840965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.840965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.840965 (E_RNA) where: Base-Base interactions energy: -765.792 where: short stacking energy: -308.738 Base-Backbone interact. energy: 1.727 local terms energy: -335.776302 where: bonds (distance) C4'-P energy: -59.091 bonds (distance) P-C4' energy: -66.095 flat angles C4'-P-C4' energy: -73.082 flat angles P-C4'-P energy: -41.036 tors. eta vs tors. theta energy: -96.473 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: 6 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -1007.964230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.964230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.964230 (E_RNA) where: Base-Base interactions energy: -676.526 where: short stacking energy: -310.354 Base-Backbone interact. energy: -1.212 local terms energy: -330.225891 where: bonds (distance) C4'-P energy: -57.475 bonds (distance) P-C4' energy: -71.124 flat angles C4'-P-C4' energy: -62.009 flat angles P-C4'-P energy: -38.361 tors. eta vs tors. theta energy: -101.257 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: 1 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -907.880465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.880465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.880465 (E_RNA) where: Base-Base interactions energy: -620.754 where: short stacking energy: -267.097 Base-Backbone interact. energy: 5.123 local terms energy: -292.249377 where: bonds (distance) C4'-P energy: -53.991 bonds (distance) P-C4' energy: -62.591 flat angles C4'-P-C4' energy: -73.514 flat angles P-C4'-P energy: -36.122 tors. eta vs tors. theta energy: -66.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -771.127465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.127465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.127465 (E_RNA) where: Base-Base interactions energy: -501.253 where: short stacking energy: -215.799 Base-Backbone interact. energy: -0.648 local terms energy: -269.226016 where: bonds (distance) C4'-P energy: -67.165 bonds (distance) P-C4' energy: -56.425 flat angles C4'-P-C4' energy: -67.447 flat angles P-C4'-P energy: -33.396 tors. eta vs tors. theta energy: -44.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -706.428499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.428499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.428499 (E_RNA) where: Base-Base interactions energy: -439.403 where: short stacking energy: -194.884 Base-Backbone interact. energy: -2.764 local terms energy: -264.261434 where: bonds (distance) C4'-P energy: -58.447 bonds (distance) P-C4' energy: -66.480 flat angles C4'-P-C4' energy: -63.948 flat angles P-C4'-P energy: -25.594 tors. eta vs tors. theta energy: -49.792 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: 4 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -635.667763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.667763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.667763 (E_RNA) where: Base-Base interactions energy: -397.940 where: short stacking energy: -191.908 Base-Backbone interact. energy: -0.970 local terms energy: -236.757681 where: bonds (distance) C4'-P energy: -47.478 bonds (distance) P-C4' energy: -58.040 flat angles C4'-P-C4' energy: -62.875 flat angles P-C4'-P energy: -29.694 tors. eta vs tors. theta energy: -38.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -537.383269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.383269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.383269 (E_RNA) where: Base-Base interactions energy: -309.236 where: short stacking energy: -155.517 Base-Backbone interact. energy: -0.026 local terms energy: -228.120990 where: bonds (distance) C4'-P energy: -57.718 bonds (distance) P-C4' energy: -53.670 flat angles C4'-P-C4' energy: -66.757 flat angles P-C4'-P energy: -26.672 tors. eta vs tors. theta energy: -23.305 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -416.067117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.067117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.067117 (E_RNA) where: Base-Base interactions energy: -234.678 where: short stacking energy: -136.956 Base-Backbone interact. energy: 0.247 local terms energy: -181.636153 where: bonds (distance) C4'-P energy: -50.410 bonds (distance) P-C4' energy: -48.675 flat angles C4'-P-C4' energy: -54.111 flat angles P-C4'-P energy: -12.363 tors. eta vs tors. theta energy: -16.077 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: 8 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -1169.364851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.364851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.364851 (E_RNA) where: Base-Base interactions energy: -808.345 where: short stacking energy: -346.044 Base-Backbone interact. energy: -2.357 local terms energy: -358.663084 where: bonds (distance) C4'-P energy: -73.508 bonds (distance) P-C4' energy: -67.374 flat angles C4'-P-C4' energy: -71.227 flat angles P-C4'-P energy: -44.543 tors. eta vs tors. theta energy: -102.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -1128.783204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.783204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.783204 (E_RNA) where: Base-Base interactions energy: -784.426 where: short stacking energy: -313.490 Base-Backbone interact. energy: -2.139 local terms energy: -342.218463 where: bonds (distance) C4'-P energy: -71.504 bonds (distance) P-C4' energy: -66.241 flat angles C4'-P-C4' energy: -70.714 flat angles P-C4'-P energy: -49.062 tors. eta vs tors. theta energy: -84.698 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: 10 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -1098.382948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.382948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.382948 (E_RNA) where: Base-Base interactions energy: -775.252 where: short stacking energy: -308.276 Base-Backbone interact. energy: -1.771 local terms energy: -321.359848 where: bonds (distance) C4'-P energy: -64.320 bonds (distance) P-C4' energy: -51.253 flat angles C4'-P-C4' energy: -66.507 flat angles P-C4'-P energy: -47.926 tors. eta vs tors. theta energy: -91.353 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: 6 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -1029.040352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.040352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.040352 (E_RNA) where: Base-Base interactions energy: -691.149 where: short stacking energy: -305.993 Base-Backbone interact. energy: -1.085 local terms energy: -336.805874 where: bonds (distance) C4'-P energy: -60.586 bonds (distance) P-C4' energy: -65.934 flat angles C4'-P-C4' energy: -65.454 flat angles P-C4'-P energy: -47.895 tors. eta vs tors. theta energy: -96.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -910.067626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -910.067626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -910.067626 (E_RNA) where: Base-Base interactions energy: -611.316 where: short stacking energy: -247.801 Base-Backbone interact. energy: -0.101 local terms energy: -298.650752 where: bonds (distance) C4'-P energy: -55.913 bonds (distance) P-C4' energy: -65.333 flat angles C4'-P-C4' energy: -63.088 flat angles P-C4'-P energy: -40.409 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: 6, replica: 5 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -785.386818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.386818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.386818 (E_RNA) where: Base-Base interactions energy: -499.884 where: short stacking energy: -218.405 Base-Backbone interact. energy: -0.969 local terms energy: -284.534303 where: bonds (distance) C4'-P energy: -58.482 bonds (distance) P-C4' energy: -64.612 flat angles C4'-P-C4' energy: -69.725 flat angles P-C4'-P energy: -41.605 tors. eta vs tors. theta energy: -50.111 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: 7, replica: 3 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -715.886767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.886767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.886767 (E_RNA) where: Base-Base interactions energy: -455.742 where: short stacking energy: -204.390 Base-Backbone interact. energy: -0.776 local terms energy: -259.367973 where: bonds (distance) C4'-P energy: -61.739 bonds (distance) P-C4' energy: -58.442 flat angles C4'-P-C4' energy: -55.266 flat angles P-C4'-P energy: -35.206 tors. eta vs tors. theta energy: -48.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -609.417158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -609.417158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -609.417158 (E_RNA) where: Base-Base interactions energy: -372.465 where: short stacking energy: -182.438 Base-Backbone interact. energy: -0.419 local terms energy: -236.533468 where: bonds (distance) C4'-P energy: -53.978 bonds (distance) P-C4' energy: -65.831 flat angles C4'-P-C4' energy: -50.263 flat angles P-C4'-P energy: -26.451 tors. eta vs tors. theta energy: -40.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -441.946404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.946404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.946404 (E_RNA) where: Base-Base interactions energy: -241.773 where: short stacking energy: -127.852 Base-Backbone interact. energy: 1.903 local terms energy: -202.076180 where: bonds (distance) C4'-P energy: -49.333 bonds (distance) P-C4' energy: -59.007 flat angles C4'-P-C4' energy: -55.215 flat angles P-C4'-P energy: -33.379 tors. eta vs tors. theta energy: -5.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -523.104089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -523.104089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -523.104089 (E_RNA) where: Base-Base interactions energy: -315.956 where: short stacking energy: -152.440 Base-Backbone interact. energy: -1.412 local terms energy: -205.736254 where: bonds (distance) C4'-P energy: -41.799 bonds (distance) P-C4' energy: -55.948 flat angles C4'-P-C4' energy: -58.577 flat angles P-C4'-P energy: -30.405 tors. eta vs tors. theta energy: -19.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -1166.055833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.055833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.055833 (E_RNA) where: Base-Base interactions energy: -798.510 where: short stacking energy: -349.660 Base-Backbone interact. energy: -3.568 local terms energy: -363.978200 where: bonds (distance) C4'-P energy: -68.620 bonds (distance) P-C4' energy: -65.610 flat angles C4'-P-C4' energy: -73.268 flat angles P-C4'-P energy: -48.653 tors. eta vs tors. theta energy: -107.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -1151.784035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.784035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.784035 (E_RNA) where: Base-Base interactions energy: -803.446 where: short stacking energy: -321.937 Base-Backbone interact. energy: -0.815 local terms energy: -347.523266 where: bonds (distance) C4'-P energy: -63.543 bonds (distance) P-C4' energy: -65.257 flat angles C4'-P-C4' energy: -74.864 flat angles P-C4'-P energy: -50.126 tors. eta vs tors. theta energy: -93.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -1115.801412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.801412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.801412 (E_RNA) where: Base-Base interactions energy: -787.784 where: short stacking energy: -317.947 Base-Backbone interact. energy: -2.496 local terms energy: -325.521952 where: bonds (distance) C4'-P energy: -60.688 bonds (distance) P-C4' energy: -56.429 flat angles C4'-P-C4' energy: -66.313 flat angles P-C4'-P energy: -45.372 tors. eta vs tors. theta energy: -96.720 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: 6 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -1042.430051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1042.430051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1042.430051 (E_RNA) where: Base-Base interactions energy: -714.774 where: short stacking energy: -324.570 Base-Backbone interact. energy: -1.427 local terms energy: -326.229255 where: bonds (distance) C4'-P energy: -42.226 bonds (distance) P-C4' energy: -70.778 flat angles C4'-P-C4' energy: -66.271 flat angles P-C4'-P energy: -52.980 tors. eta vs tors. theta energy: -93.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -887.689505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -887.689505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -887.689505 (E_RNA) where: Base-Base interactions energy: -598.291 where: short stacking energy: -238.114 Base-Backbone interact. energy: -2.100 local terms energy: -287.297982 where: bonds (distance) C4'-P energy: -53.428 bonds (distance) P-C4' energy: -54.324 flat angles C4'-P-C4' energy: -65.899 flat angles P-C4'-P energy: -50.415 tors. eta vs tors. theta energy: -63.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -787.602624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.602624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.602624 (E_RNA) where: Base-Base interactions energy: -513.969 where: short stacking energy: -236.449 Base-Backbone interact. energy: -0.311 local terms energy: -273.322806 where: bonds (distance) C4'-P energy: -55.613 bonds (distance) P-C4' energy: -61.006 flat angles C4'-P-C4' energy: -61.276 flat angles P-C4'-P energy: -46.149 tors. eta vs tors. theta energy: -49.279 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: 3 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -724.131517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.131517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.131517 (E_RNA) where: Base-Base interactions energy: -471.307 where: short stacking energy: -193.822 Base-Backbone interact. energy: -1.566 local terms energy: -251.258405 where: bonds (distance) C4'-P energy: -55.892 bonds (distance) P-C4' energy: -49.891 flat angles C4'-P-C4' energy: -58.297 flat angles P-C4'-P energy: -43.675 tors. eta vs tors. theta energy: -43.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -657.337600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.337600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.337600 (E_RNA) where: Base-Base interactions energy: -428.380 where: short stacking energy: -193.411 Base-Backbone interact. energy: -0.369 local terms energy: -228.588520 where: bonds (distance) C4'-P energy: -42.150 bonds (distance) P-C4' energy: -53.260 flat angles C4'-P-C4' energy: -55.032 flat angles P-C4'-P energy: -28.091 tors. eta vs tors. theta energy: -50.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -439.448322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -439.448322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -439.448322 (E_RNA) where: Base-Base interactions energy: -234.877 where: short stacking energy: -128.643 Base-Backbone interact. energy: -0.318 local terms energy: -204.253699 where: bonds (distance) C4'-P energy: -43.825 bonds (distance) P-C4' energy: -51.359 flat angles C4'-P-C4' energy: -53.448 flat angles P-C4'-P energy: -40.838 tors. eta vs tors. theta energy: -14.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -481.924273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.924273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.924273 (E_RNA) where: Base-Base interactions energy: -284.692 where: short stacking energy: -118.894 Base-Backbone interact. energy: 1.587 local terms energy: -198.819856 where: bonds (distance) C4'-P energy: -48.119 bonds (distance) P-C4' energy: -59.154 flat angles C4'-P-C4' energy: -51.884 flat angles P-C4'-P energy: -29.666 tors. eta vs tors. theta energy: -9.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -1181.785131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.785131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.785131 (E_RNA) where: Base-Base interactions energy: -834.318 where: short stacking energy: -322.058 Base-Backbone interact. energy: 0.073 local terms energy: -347.539278 where: bonds (distance) C4'-P energy: -69.220 bonds (distance) P-C4' energy: -60.559 flat angles C4'-P-C4' energy: -73.173 flat angles P-C4'-P energy: -44.751 tors. eta vs tors. theta energy: -99.837 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: 8 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -1143.088949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.088949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.088949 (E_RNA) where: Base-Base interactions energy: -810.108 where: short stacking energy: -344.484 Base-Backbone interact. energy: -1.539 local terms energy: -331.441513 where: bonds (distance) C4'-P energy: -55.850 bonds (distance) P-C4' energy: -54.069 flat angles C4'-P-C4' energy: -74.548 flat angles P-C4'-P energy: -44.880 tors. eta vs tors. theta energy: -102.094 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: 10 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -1103.652824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.652824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.652824 (E_RNA) where: Base-Base interactions energy: -767.680 where: short stacking energy: -324.438 Base-Backbone interact. energy: -3.148 local terms energy: -332.824035 where: bonds (distance) C4'-P energy: -71.178 bonds (distance) P-C4' energy: -63.201 flat angles C4'-P-C4' energy: -65.375 flat angles P-C4'-P energy: -42.225 tors. eta vs tors. theta energy: -90.845 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: 6 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -1019.622016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.622016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.622016 (E_RNA) where: Base-Base interactions energy: -693.993 where: short stacking energy: -283.700 Base-Backbone interact. energy: 2.837 local terms energy: -328.466538 where: bonds (distance) C4'-P energy: -62.214 bonds (distance) P-C4' energy: -65.540 flat angles C4'-P-C4' energy: -61.696 flat angles P-C4'-P energy: -46.094 tors. eta vs tors. theta energy: -92.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -890.547945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.547945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.547945 (E_RNA) where: Base-Base interactions energy: -601.066 where: short stacking energy: -259.077 Base-Backbone interact. energy: -2.897 local terms energy: -286.585616 where: bonds (distance) C4'-P energy: -50.251 bonds (distance) P-C4' energy: -63.794 flat angles C4'-P-C4' energy: -61.150 flat angles P-C4'-P energy: -44.415 tors. eta vs tors. theta energy: -66.976 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: 6, replica: 5 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -786.286650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -786.286650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -786.286650 (E_RNA) where: Base-Base interactions energy: -516.860 where: short stacking energy: -249.549 Base-Backbone interact. energy: -1.508 local terms energy: -267.919320 where: bonds (distance) C4'-P energy: -51.736 bonds (distance) P-C4' energy: -53.240 flat angles C4'-P-C4' energy: -61.014 flat angles P-C4'-P energy: -42.837 tors. eta vs tors. theta energy: -59.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -742.637401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.637401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.637401 (E_RNA) where: Base-Base interactions energy: -484.025 where: short stacking energy: -207.552 Base-Backbone interact. energy: -1.528 local terms energy: -257.085127 where: bonds (distance) C4'-P energy: -54.614 bonds (distance) P-C4' energy: -51.696 flat angles C4'-P-C4' energy: -49.565 flat angles P-C4'-P energy: -49.688 tors. eta vs tors. theta energy: -51.523 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: 346 Temperature: 1.250000 Total energy: -608.374575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.374575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.374575 (E_RNA) where: Base-Base interactions energy: -398.145 where: short stacking energy: -187.967 Base-Backbone interact. energy: 0.309 local terms energy: -210.538301 where: bonds (distance) C4'-P energy: -39.859 bonds (distance) P-C4' energy: -47.236 flat angles C4'-P-C4' energy: -59.707 flat angles P-C4'-P energy: -33.165 tors. eta vs tors. theta energy: -30.572 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: 2 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -507.995489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.995489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.995489 (E_RNA) where: Base-Base interactions energy: -285.921 where: short stacking energy: -137.992 Base-Backbone interact. energy: -0.091 local terms energy: -221.983131 where: bonds (distance) C4'-P energy: -55.517 bonds (distance) P-C4' energy: -64.556 flat angles C4'-P-C4' energy: -54.333 flat angles P-C4'-P energy: -41.640 tors. eta vs tors. theta energy: -5.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -420.863815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.863815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.863815 (E_RNA) where: Base-Base interactions energy: -229.268 where: short stacking energy: -130.921 Base-Backbone interact. energy: 1.124 local terms energy: -192.719879 where: bonds (distance) C4'-P energy: -61.998 bonds (distance) P-C4' energy: -44.538 flat angles C4'-P-C4' energy: -63.101 flat angles P-C4'-P energy: -18.203 tors. eta vs tors. theta energy: -4.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -1183.465556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.465556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.465556 (E_RNA) where: Base-Base interactions energy: -844.684 where: short stacking energy: -329.436 Base-Backbone interact. energy: -1.578 local terms energy: -337.203760 where: bonds (distance) C4'-P energy: -49.997 bonds (distance) P-C4' energy: -68.702 flat angles C4'-P-C4' energy: -69.089 flat angles P-C4'-P energy: -44.489 tors. eta vs tors. theta energy: -104.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -1123.988087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.988087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.988087 (E_RNA) where: Base-Base interactions energy: -794.872 where: short stacking energy: -340.292 Base-Backbone interact. energy: -1.440 local terms energy: -327.676377 where: bonds (distance) C4'-P energy: -55.001 bonds (distance) P-C4' energy: -63.409 flat angles C4'-P-C4' energy: -75.492 flat angles P-C4'-P energy: -39.392 tors. eta vs tors. theta energy: -94.383 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: 10 ===================================== Write number: 347 Temperature: 1.000000 Total energy: -1118.401145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.401145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.401145 (E_RNA) where: Base-Base interactions energy: -787.685 where: short stacking energy: -306.754 Base-Backbone interact. energy: -1.506 local terms energy: -329.210379 where: bonds (distance) C4'-P energy: -66.969 bonds (distance) P-C4' energy: -62.631 flat angles C4'-P-C4' energy: -63.380 flat angles P-C4'-P energy: -45.018 tors. eta vs tors. theta energy: -91.213 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: 6 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -1032.163632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.163632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.163632 (E_RNA) where: Base-Base interactions energy: -724.476 where: short stacking energy: -321.403 Base-Backbone interact. energy: -1.022 local terms energy: -306.665120 where: bonds (distance) C4'-P energy: -43.769 bonds (distance) P-C4' energy: -63.014 flat angles C4'-P-C4' energy: -70.949 flat angles P-C4'-P energy: -43.800 tors. eta vs tors. theta energy: -85.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -937.630118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.630118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.630118 (E_RNA) where: Base-Base interactions energy: -624.019 where: short stacking energy: -268.426 Base-Backbone interact. energy: -0.155 local terms energy: -313.456577 where: bonds (distance) C4'-P energy: -56.847 bonds (distance) P-C4' energy: -63.821 flat angles C4'-P-C4' energy: -68.684 flat angles P-C4'-P energy: -49.707 tors. eta vs tors. theta energy: -74.398 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: 3 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -776.405965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.405965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.405965 (E_RNA) where: Base-Base interactions energy: -497.578 where: short stacking energy: -233.462 Base-Backbone interact. energy: -0.754 local terms energy: -278.073995 where: bonds (distance) C4'-P energy: -61.934 bonds (distance) P-C4' energy: -61.809 flat angles C4'-P-C4' energy: -61.174 flat angles P-C4'-P energy: -46.967 tors. eta vs tors. theta energy: -46.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -720.733725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -720.733725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -720.733725 (E_RNA) where: Base-Base interactions energy: -446.870 where: short stacking energy: -204.775 Base-Backbone interact. energy: -1.219 local terms energy: -272.644893 where: bonds (distance) C4'-P energy: -54.470 bonds (distance) P-C4' energy: -63.603 flat angles C4'-P-C4' energy: -53.535 flat angles P-C4'-P energy: -49.298 tors. eta vs tors. theta energy: -51.739 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: 8, replica: 4 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -627.563683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -627.563683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -627.563683 (E_RNA) where: Base-Base interactions energy: -415.681 where: short stacking energy: -203.527 Base-Backbone interact. energy: -2.112 local terms energy: -209.771067 where: bonds (distance) C4'-P energy: -49.087 bonds (distance) P-C4' energy: -56.399 flat angles C4'-P-C4' energy: -36.488 flat angles P-C4'-P energy: -26.942 tors. eta vs tors. theta energy: -40.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -469.165232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.165232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.165232 (E_RNA) where: Base-Base interactions energy: -259.039 where: short stacking energy: -147.589 Base-Backbone interact. energy: -0.735 local terms energy: -209.391383 where: bonds (distance) C4'-P energy: -59.868 bonds (distance) P-C4' energy: -53.191 flat angles C4'-P-C4' energy: -47.667 flat angles P-C4'-P energy: -26.904 tors. eta vs tors. theta energy: -21.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -437.758682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.758682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.758682 (E_RNA) where: Base-Base interactions energy: -238.649 where: short stacking energy: -133.452 Base-Backbone interact. energy: -1.010 local terms energy: -198.099449 where: bonds (distance) C4'-P energy: -61.563 bonds (distance) P-C4' energy: -49.421 flat angles C4'-P-C4' energy: -55.170 flat angles P-C4'-P energy: -21.067 tors. eta vs tors. theta energy: -10.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -1194.028834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.028834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.028834 (E_RNA) where: Base-Base interactions energy: -825.769 where: short stacking energy: -323.589 Base-Backbone interact. energy: -0.375 local terms energy: -367.884656 where: bonds (distance) C4'-P energy: -71.215 bonds (distance) P-C4' energy: -67.320 flat angles C4'-P-C4' energy: -73.486 flat angles P-C4'-P energy: -56.451 tors. eta vs tors. theta energy: -99.412 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: 8 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -1136.843372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.843372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.843372 (E_RNA) where: Base-Base interactions energy: -776.977 where: short stacking energy: -338.050 Base-Backbone interact. energy: -1.140 local terms energy: -358.726658 where: bonds (distance) C4'-P energy: -64.270 bonds (distance) P-C4' energy: -63.134 flat angles C4'-P-C4' energy: -81.013 flat angles P-C4'-P energy: -51.005 tors. eta vs tors. theta energy: -99.306 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: 10 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -1138.718540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.718540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.718540 (E_RNA) where: Base-Base interactions energy: -789.335 where: short stacking energy: -321.209 Base-Backbone interact. energy: 0.274 local terms energy: -349.657485 where: bonds (distance) C4'-P energy: -61.594 bonds (distance) P-C4' energy: -67.017 flat angles C4'-P-C4' energy: -68.033 flat angles P-C4'-P energy: -49.579 tors. eta vs tors. theta energy: -103.434 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: 6 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -1021.486208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.486208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.486208 (E_RNA) where: Base-Base interactions energy: -682.249 where: short stacking energy: -294.484 Base-Backbone interact. energy: -0.505 local terms energy: -338.732009 where: bonds (distance) C4'-P energy: -73.272 bonds (distance) P-C4' energy: -62.134 flat angles C4'-P-C4' energy: -68.916 flat angles P-C4'-P energy: -43.143 tors. eta vs tors. theta energy: -91.267 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: 5, replica: 1 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -905.026896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.026896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.026896 (E_RNA) where: Base-Base interactions energy: -611.673 where: short stacking energy: -277.868 Base-Backbone interact. energy: -1.227 local terms energy: -292.126654 where: bonds (distance) C4'-P energy: -49.511 bonds (distance) P-C4' energy: -62.268 flat angles C4'-P-C4' energy: -67.420 flat angles P-C4'-P energy: -41.616 tors. eta vs tors. theta energy: -71.312 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: 3 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -744.532371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -744.532371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -744.532371 (E_RNA) where: Base-Base interactions energy: -502.859 where: short stacking energy: -230.268 Base-Backbone interact. energy: -1.230 local terms energy: -240.443038 where: bonds (distance) C4'-P energy: -47.209 bonds (distance) P-C4' energy: -56.334 flat angles C4'-P-C4' energy: -49.264 flat angles P-C4'-P energy: -43.616 tors. eta vs tors. theta energy: -44.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -721.230755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.230755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.230755 (E_RNA) where: Base-Base interactions energy: -468.454 where: short stacking energy: -210.356 Base-Backbone interact. energy: -2.168 local terms energy: -250.608551 where: bonds (distance) C4'-P energy: -55.052 bonds (distance) P-C4' energy: -59.404 flat angles C4'-P-C4' energy: -55.315 flat angles P-C4'-P energy: -35.132 tors. eta vs tors. theta energy: -45.706 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: 4 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -617.534690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.534690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.534690 (E_RNA) where: Base-Base interactions energy: -361.403 where: short stacking energy: -181.455 Base-Backbone interact. energy: -1.265 local terms energy: -254.866634 where: bonds (distance) C4'-P energy: -54.287 bonds (distance) P-C4' energy: -58.783 flat angles C4'-P-C4' energy: -61.641 flat angles P-C4'-P energy: -41.098 tors. eta vs tors. theta energy: -39.058 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: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -427.294336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.294336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.294336 (E_RNA) where: Base-Base interactions energy: -226.035 where: short stacking energy: -137.104 Base-Backbone interact. energy: -1.669 local terms energy: -199.590091 where: bonds (distance) C4'-P energy: -52.793 bonds (distance) P-C4' energy: -60.545 flat angles C4'-P-C4' energy: -52.398 flat angles P-C4'-P energy: -24.342 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: 2 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -448.444313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -448.444313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -448.444313 (E_RNA) where: Base-Base interactions energy: -254.310 where: short stacking energy: -138.928 Base-Backbone interact. energy: 0.039 local terms energy: -194.173160 where: bonds (distance) C4'-P energy: -51.097 bonds (distance) P-C4' energy: -55.708 flat angles C4'-P-C4' energy: -49.629 flat angles P-C4'-P energy: -25.577 tors. eta vs tors. theta energy: -12.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -1181.795661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.795661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.795661 (E_RNA) where: Base-Base interactions energy: -817.754 where: short stacking energy: -345.458 Base-Backbone interact. energy: -0.614 local terms energy: -363.428251 where: bonds (distance) C4'-P energy: -64.665 bonds (distance) P-C4' energy: -70.243 flat angles C4'-P-C4' energy: -76.931 flat angles P-C4'-P energy: -46.921 tors. eta vs tors. theta energy: -104.667 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: 10 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -1132.722100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.722100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.722100 (E_RNA) where: Base-Base interactions energy: -783.329 where: short stacking energy: -335.703 Base-Backbone interact. energy: -1.618 local terms energy: -347.774596 where: bonds (distance) C4'-P energy: -67.210 bonds (distance) P-C4' energy: -66.589 flat angles C4'-P-C4' energy: -64.889 flat angles P-C4'-P energy: -52.671 tors. eta vs tors. theta energy: -96.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -1106.880462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1106.880462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1106.880462 (E_RNA) where: Base-Base interactions energy: -775.771 where: short stacking energy: -327.650 Base-Backbone interact. energy: 1.514 local terms energy: -332.623547 where: bonds (distance) C4'-P energy: -57.772 bonds (distance) P-C4' energy: -65.205 flat angles C4'-P-C4' energy: -72.699 flat angles P-C4'-P energy: -51.543 tors. eta vs tors. theta energy: -85.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -1028.334661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.334661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.334661 (E_RNA) where: Base-Base interactions energy: -685.521 where: short stacking energy: -310.312 Base-Backbone interact. energy: -3.209 local terms energy: -339.604018 where: bonds (distance) C4'-P energy: -60.097 bonds (distance) P-C4' energy: -64.591 flat angles C4'-P-C4' energy: -70.870 flat angles P-C4'-P energy: -53.723 tors. eta vs tors. theta energy: -90.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -908.228554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.228554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.228554 (E_RNA) where: Base-Base interactions energy: -604.612 where: short stacking energy: -262.307 Base-Backbone interact. energy: -1.185 local terms energy: -302.431268 where: bonds (distance) C4'-P energy: -49.045 bonds (distance) P-C4' energy: -54.654 flat angles C4'-P-C4' energy: -67.570 flat angles P-C4'-P energy: -51.797 tors. eta vs tors. theta energy: -79.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -767.541834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -767.541834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -767.541834 (E_RNA) where: Base-Base interactions energy: -496.743 where: short stacking energy: -223.795 Base-Backbone interact. energy: -1.280 local terms energy: -269.519026 where: bonds (distance) C4'-P energy: -57.042 bonds (distance) P-C4' energy: -65.919 flat angles C4'-P-C4' energy: -54.171 flat angles P-C4'-P energy: -36.636 tors. eta vs tors. theta energy: -55.751 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: 3 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -711.041191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.041191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.041191 (E_RNA) where: Base-Base interactions energy: -451.466 where: short stacking energy: -191.615 Base-Backbone interact. energy: -1.724 local terms energy: -257.851609 where: bonds (distance) C4'-P energy: -56.697 bonds (distance) P-C4' energy: -67.711 flat angles C4'-P-C4' energy: -50.535 flat angles P-C4'-P energy: -47.177 tors. eta vs tors. theta energy: -35.732 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: 4 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -649.338917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.338917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.338917 (E_RNA) where: Base-Base interactions energy: -422.779 where: short stacking energy: -197.183 Base-Backbone interact. energy: -3.496 local terms energy: -223.063918 where: bonds (distance) C4'-P energy: -50.722 bonds (distance) P-C4' energy: -61.137 flat angles C4'-P-C4' energy: -51.199 flat angles P-C4'-P energy: -25.114 tors. eta vs tors. theta energy: -34.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -443.804936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.804936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.804936 (E_RNA) where: Base-Base interactions energy: -220.911 where: short stacking energy: -131.503 Base-Backbone interact. energy: 1.520 local terms energy: -224.413603 where: bonds (distance) C4'-P energy: -50.045 bonds (distance) P-C4' energy: -55.753 flat angles C4'-P-C4' energy: -53.883 flat angles P-C4'-P energy: -49.458 tors. eta vs tors. theta energy: -15.274 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: 2 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -426.812781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.812781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.812781 (E_RNA) where: Base-Base interactions energy: -236.510 where: short stacking energy: -115.689 Base-Backbone interact. energy: -0.952 local terms energy: -189.351032 where: bonds (distance) C4'-P energy: -57.617 bonds (distance) P-C4' energy: -39.337 flat angles C4'-P-C4' energy: -62.926 flat angles P-C4'-P energy: -24.266 tors. eta vs tors. theta energy: -5.206 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -1191.460308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.460308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.460308 (E_RNA) where: Base-Base interactions energy: -835.459 where: short stacking energy: -348.897 Base-Backbone interact. energy: -0.868 local terms energy: -355.133356 where: bonds (distance) C4'-P energy: -66.727 bonds (distance) P-C4' energy: -64.177 flat angles C4'-P-C4' energy: -72.566 flat angles P-C4'-P energy: -44.887 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: 2, replica: 10 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -1138.593666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.593666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.593666 (E_RNA) where: Base-Base interactions energy: -798.615 where: short stacking energy: -326.136 Base-Backbone interact. energy: -3.204 local terms energy: -336.774694 where: bonds (distance) C4'-P energy: -66.473 bonds (distance) P-C4' energy: -65.324 flat angles C4'-P-C4' energy: -65.152 flat angles P-C4'-P energy: -42.766 tors. eta vs tors. theta energy: -97.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -1086.142751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.142751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.142751 (E_RNA) where: Base-Base interactions energy: -753.621 where: short stacking energy: -318.377 Base-Backbone interact. energy: -2.045 local terms energy: -330.476704 where: bonds (distance) C4'-P energy: -54.968 bonds (distance) P-C4' energy: -67.027 flat angles C4'-P-C4' energy: -64.099 flat angles P-C4'-P energy: -49.028 tors. eta vs tors. theta energy: -95.355 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: 6 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -1016.936377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.936377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.936377 (E_RNA) where: Base-Base interactions energy: -706.078 where: short stacking energy: -304.541 Base-Backbone interact. energy: -1.054 local terms energy: -309.804234 where: bonds (distance) C4'-P energy: -53.562 bonds (distance) P-C4' energy: -60.613 flat angles C4'-P-C4' energy: -64.463 flat angles P-C4'-P energy: -36.573 tors. eta vs tors. theta energy: -94.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -912.816840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.816840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.816840 (E_RNA) where: Base-Base interactions energy: -611.952 where: short stacking energy: -252.667 Base-Backbone interact. energy: -2.259 local terms energy: -298.605420 where: bonds (distance) C4'-P energy: -61.821 bonds (distance) P-C4' energy: -65.872 flat angles C4'-P-C4' energy: -60.726 flat angles P-C4'-P energy: -48.100 tors. eta vs tors. theta energy: -62.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -789.076055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.076055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.076055 (E_RNA) where: Base-Base interactions energy: -514.753 where: short stacking energy: -219.718 Base-Backbone interact. energy: -0.999 local terms energy: -273.324025 where: bonds (distance) C4'-P energy: -69.858 bonds (distance) P-C4' energy: -56.672 flat angles C4'-P-C4' energy: -64.837 flat angles P-C4'-P energy: -38.977 tors. eta vs tors. theta energy: -42.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -708.397669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.397669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.397669 (E_RNA) where: Base-Base interactions energy: -453.853 where: short stacking energy: -201.865 Base-Backbone interact. energy: -1.046 local terms energy: -253.498570 where: bonds (distance) C4'-P energy: -48.148 bonds (distance) P-C4' energy: -64.101 flat angles C4'-P-C4' energy: -66.737 flat angles P-C4'-P energy: -29.479 tors. eta vs tors. theta energy: -45.033 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: 8, replica: 4 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -640.651938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.651938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.651938 (E_RNA) where: Base-Base interactions energy: -395.326 where: short stacking energy: -171.941 Base-Backbone interact. energy: -0.183 local terms energy: -245.143154 where: bonds (distance) C4'-P energy: -59.751 bonds (distance) P-C4' energy: -61.343 flat angles C4'-P-C4' energy: -56.949 flat angles P-C4'-P energy: -31.660 tors. eta vs tors. theta energy: -35.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -452.177484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -452.177484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -452.177484 (E_RNA) where: Base-Base interactions energy: -242.500 where: short stacking energy: -138.187 Base-Backbone interact. energy: -1.543 local terms energy: -208.134415 where: bonds (distance) C4'-P energy: -55.947 bonds (distance) P-C4' energy: -56.840 flat angles C4'-P-C4' energy: -61.172 flat angles P-C4'-P energy: -37.772 tors. eta vs tors. theta energy: 3.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -413.776088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.776088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.776088 (E_RNA) where: Base-Base interactions energy: -208.265 where: short stacking energy: -119.252 Base-Backbone interact. energy: 2.402 local terms energy: -207.912957 where: bonds (distance) C4'-P energy: -51.859 bonds (distance) P-C4' energy: -56.010 flat angles C4'-P-C4' energy: -53.940 flat angles P-C4'-P energy: -36.246 tors. eta vs tors. theta energy: -9.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -1175.067231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.067231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.067231 (E_RNA) where: Base-Base interactions energy: -818.066 where: short stacking energy: -336.384 Base-Backbone interact. energy: 0.526 local terms energy: -357.526656 where: bonds (distance) C4'-P energy: -60.350 bonds (distance) P-C4' energy: -71.052 flat angles C4'-P-C4' energy: -79.081 flat angles P-C4'-P energy: -43.894 tors. eta vs tors. theta energy: -103.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -1140.545449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.545449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.545449 (E_RNA) where: Base-Base interactions energy: -801.614 where: short stacking energy: -328.577 Base-Backbone interact. energy: -2.452 local terms energy: -336.479911 where: bonds (distance) C4'-P energy: -61.347 bonds (distance) P-C4' energy: -57.954 flat angles C4'-P-C4' energy: -73.250 flat angles P-C4'-P energy: -48.067 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: 3, replica: 8 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -1070.959587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1070.959587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1070.959587 (E_RNA) where: Base-Base interactions energy: -733.594 where: short stacking energy: -309.317 Base-Backbone interact. energy: -1.939 local terms energy: -335.426979 where: bonds (distance) C4'-P energy: -55.731 bonds (distance) P-C4' energy: -66.144 flat angles C4'-P-C4' energy: -69.569 flat angles P-C4'-P energy: -51.961 tors. eta vs tors. theta energy: -92.023 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: 6 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -1018.456871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.456871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.456871 (E_RNA) where: Base-Base interactions energy: -687.575 where: short stacking energy: -303.245 Base-Backbone interact. energy: -1.001 local terms energy: -329.880255 where: bonds (distance) C4'-P energy: -55.496 bonds (distance) P-C4' energy: -69.596 flat angles C4'-P-C4' energy: -61.418 flat angles P-C4'-P energy: -46.498 tors. eta vs tors. theta energy: -96.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 351 Temperature: 1.100000 Total energy: -890.916046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.916046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.916046 (E_RNA) where: Base-Base interactions energy: -604.034 where: short stacking energy: -272.441 Base-Backbone interact. energy: 0.009 local terms energy: -286.891100 where: bonds (distance) C4'-P energy: -44.383 bonds (distance) P-C4' energy: -61.271 flat angles C4'-P-C4' energy: -56.491 flat angles P-C4'-P energy: -45.386 tors. eta vs tors. theta energy: -79.359 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: 3 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -683.756831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -683.756831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -683.756831 (E_RNA) where: Base-Base interactions energy: -419.861 where: short stacking energy: -193.340 Base-Backbone interact. energy: -0.611 local terms energy: -263.284852 where: bonds (distance) C4'-P energy: -49.003 bonds (distance) P-C4' energy: -69.357 flat angles C4'-P-C4' energy: -63.513 flat angles P-C4'-P energy: -48.070 tors. eta vs tors. theta energy: -33.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -750.585060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.585060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.585060 (E_RNA) where: Base-Base interactions energy: -504.810 where: short stacking energy: -216.052 Base-Backbone interact. energy: -1.807 local terms energy: -243.967332 where: bonds (distance) C4'-P energy: -49.470 bonds (distance) P-C4' energy: -39.248 flat angles C4'-P-C4' energy: -54.348 flat angles P-C4'-P energy: -47.250 tors. eta vs tors. theta energy: -53.652 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: 8, replica: 4 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -633.722137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -633.722137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -633.722137 (E_RNA) where: Base-Base interactions energy: -394.748 where: short stacking energy: -178.903 Base-Backbone interact. energy: 0.000 local terms energy: -238.974386 where: bonds (distance) C4'-P energy: -60.436 bonds (distance) P-C4' energy: -61.087 flat angles C4'-P-C4' energy: -60.150 flat angles P-C4'-P energy: -29.435 tors. eta vs tors. theta energy: -27.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -440.252764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.252764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.252764 (E_RNA) where: Base-Base interactions energy: -223.547 where: short stacking energy: -125.683 Base-Backbone interact. energy: 0.293 local terms energy: -216.999402 where: bonds (distance) C4'-P energy: -57.939 bonds (distance) P-C4' energy: -59.064 flat angles C4'-P-C4' energy: -61.350 flat angles P-C4'-P energy: -34.503 tors. eta vs tors. theta energy: -4.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -424.020529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.020529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.020529 (E_RNA) where: Base-Base interactions energy: -215.321 where: short stacking energy: -103.154 Base-Backbone interact. energy: -1.711 local terms energy: -206.988189 where: bonds (distance) C4'-P energy: -49.864 bonds (distance) P-C4' energy: -63.036 flat angles C4'-P-C4' energy: -59.067 flat angles P-C4'-P energy: -31.671 tors. eta vs tors. theta energy: -3.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -1164.070258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.070258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.070258 (E_RNA) where: Base-Base interactions energy: -813.346 where: short stacking energy: -330.644 Base-Backbone interact. energy: 0.088 local terms energy: -350.812609 where: bonds (distance) C4'-P energy: -67.027 bonds (distance) P-C4' energy: -63.638 flat angles C4'-P-C4' energy: -66.626 flat angles P-C4'-P energy: -53.577 tors. eta vs tors. theta energy: -99.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -1122.686626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1122.686626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1122.686626 (E_RNA) where: Base-Base interactions energy: -792.477 where: short stacking energy: -320.123 Base-Backbone interact. energy: -1.702 local terms energy: -328.508254 where: bonds (distance) C4'-P energy: -59.849 bonds (distance) P-C4' energy: -67.448 flat angles C4'-P-C4' energy: -63.033 flat angles P-C4'-P energy: -36.595 tors. eta vs tors. theta energy: -101.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -1073.264929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1073.264929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1073.264929 (E_RNA) where: Base-Base interactions energy: -750.431 where: short stacking energy: -305.149 Base-Backbone interact. energy: -0.946 local terms energy: -321.887414 where: bonds (distance) C4'-P energy: -56.649 bonds (distance) P-C4' energy: -56.197 flat angles C4'-P-C4' energy: -71.800 flat angles P-C4'-P energy: -44.641 tors. eta vs tors. theta energy: -92.601 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 352 Temperature: 1.050000 Total energy: -980.035000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.035000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.035000 (E_RNA) where: Base-Base interactions energy: -648.499 where: short stacking energy: -288.570 Base-Backbone interact. energy: -1.562 local terms energy: -329.974024 where: bonds (distance) C4'-P energy: -64.206 bonds (distance) P-C4' energy: -64.082 flat angles C4'-P-C4' energy: -68.234 flat angles P-C4'-P energy: -50.090 tors. eta vs tors. theta energy: -83.362 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: 1 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -867.452501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.452501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.452501 (E_RNA) where: Base-Base interactions energy: -576.387 where: short stacking energy: -243.671 Base-Backbone interact. energy: -1.780 local terms energy: -289.285719 where: bonds (distance) C4'-P energy: -60.881 bonds (distance) P-C4' energy: -55.103 flat angles C4'-P-C4' energy: -66.011 flat angles P-C4'-P energy: -43.408 tors. eta vs tors. theta energy: -63.882 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: 6, replica: 3 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -721.136527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.136527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.136527 (E_RNA) where: Base-Base interactions energy: -450.512 where: short stacking energy: -233.064 Base-Backbone interact. energy: -0.154 local terms energy: -270.469914 where: bonds (distance) C4'-P energy: -70.110 bonds (distance) P-C4' energy: -56.465 flat angles C4'-P-C4' energy: -57.930 flat angles P-C4'-P energy: -33.021 tors. eta vs tors. theta energy: -52.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -753.906889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.906889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.906889 (E_RNA) where: Base-Base interactions energy: -494.157 where: short stacking energy: -219.863 Base-Backbone interact. energy: -0.101 local terms energy: -259.649467 where: bonds (distance) C4'-P energy: -55.426 bonds (distance) P-C4' energy: -56.623 flat angles C4'-P-C4' energy: -58.938 flat angles P-C4'-P energy: -25.387 tors. eta vs tors. theta energy: -63.276 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: 8, replica: 4 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -648.381701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.381701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.381701 (E_RNA) where: Base-Base interactions energy: -399.853 where: short stacking energy: -191.745 Base-Backbone interact. energy: -0.541 local terms energy: -247.987934 where: bonds (distance) C4'-P energy: -56.132 bonds (distance) P-C4' energy: -63.045 flat angles C4'-P-C4' energy: -59.738 flat angles P-C4'-P energy: -30.770 tors. eta vs tors. theta energy: -38.303 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: 2 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -453.378765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.378765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.378765 (E_RNA) where: Base-Base interactions energy: -258.963 where: short stacking energy: -129.847 Base-Backbone interact. energy: -1.409 local terms energy: -193.006569 where: bonds (distance) C4'-P energy: -54.990 bonds (distance) P-C4' energy: -41.018 flat angles C4'-P-C4' energy: -48.380 flat angles P-C4'-P energy: -30.952 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: 7 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -425.913059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.913059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.913059 (E_RNA) where: Base-Base interactions energy: -223.017 where: short stacking energy: -111.060 Base-Backbone interact. energy: -2.273 local terms energy: -200.622678 where: bonds (distance) C4'-P energy: -44.053 bonds (distance) P-C4' energy: -72.168 flat angles C4'-P-C4' energy: -54.475 flat angles P-C4'-P energy: -24.065 tors. eta vs tors. theta energy: -5.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -1160.659093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.659093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.659093 (E_RNA) where: Base-Base interactions energy: -790.218 where: short stacking energy: -318.229 Base-Backbone interact. energy: -1.796 local terms energy: -368.644796 where: bonds (distance) C4'-P energy: -65.947 bonds (distance) P-C4' energy: -73.715 flat angles C4'-P-C4' energy: -76.960 flat angles P-C4'-P energy: -51.521 tors. eta vs tors. theta energy: -100.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -1142.273184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.273184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.273184 (E_RNA) where: Base-Base interactions energy: -795.861 where: short stacking energy: -322.348 Base-Backbone interact. energy: -3.175 local terms energy: -343.236989 where: bonds (distance) C4'-P energy: -61.561 bonds (distance) P-C4' energy: -67.362 flat angles C4'-P-C4' energy: -64.462 flat angles P-C4'-P energy: -45.953 tors. eta vs tors. theta energy: -103.899 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -1081.020062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1081.020062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1081.020062 (E_RNA) where: Base-Base interactions energy: -721.186 where: short stacking energy: -314.328 Base-Backbone interact. energy: -0.385 local terms energy: -359.448938 where: bonds (distance) C4'-P energy: -72.915 bonds (distance) P-C4' energy: -67.483 flat angles C4'-P-C4' energy: -77.867 flat angles P-C4'-P energy: -50.549 tors. eta vs tors. theta energy: -90.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -1006.826180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.826180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.826180 (E_RNA) where: Base-Base interactions energy: -683.929 where: short stacking energy: -300.737 Base-Backbone interact. energy: -0.999 local terms energy: -321.898788 where: bonds (distance) C4'-P energy: -50.988 bonds (distance) P-C4' energy: -60.170 flat angles C4'-P-C4' energy: -67.135 flat angles P-C4'-P energy: -50.016 tors. eta vs tors. theta energy: -93.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -934.638641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.638641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.638641 (E_RNA) where: Base-Base interactions energy: -615.335 where: short stacking energy: -270.233 Base-Backbone interact. energy: -1.543 local terms energy: -317.760342 where: bonds (distance) C4'-P energy: -57.201 bonds (distance) P-C4' energy: -60.721 flat angles C4'-P-C4' energy: -64.765 flat angles P-C4'-P energy: -51.299 tors. eta vs tors. theta energy: -83.774 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: 6, replica: 5 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -811.526898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -811.526898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -811.526898 (E_RNA) where: Base-Base interactions energy: -551.188 where: short stacking energy: -250.355 Base-Backbone interact. energy: -0.180 local terms energy: -260.158878 where: bonds (distance) C4'-P energy: -47.548 bonds (distance) P-C4' energy: -56.974 flat angles C4'-P-C4' energy: -55.312 flat angles P-C4'-P energy: -42.147 tors. eta vs tors. theta energy: -58.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -704.078045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.078045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.078045 (E_RNA) where: Base-Base interactions energy: -430.103 where: short stacking energy: -211.973 Base-Backbone interact. energy: -0.616 local terms energy: -273.358281 where: bonds (distance) C4'-P energy: -57.590 bonds (distance) P-C4' energy: -50.650 flat angles C4'-P-C4' energy: -68.755 flat angles P-C4'-P energy: -35.234 tors. eta vs tors. theta energy: -61.130 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: 4 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -624.500735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -624.500735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -624.500735 (E_RNA) where: Base-Base interactions energy: -387.084 where: short stacking energy: -180.932 Base-Backbone interact. energy: -1.792 local terms energy: -235.625468 where: bonds (distance) C4'-P energy: -42.657 bonds (distance) P-C4' energy: -65.405 flat angles C4'-P-C4' energy: -58.107 flat angles P-C4'-P energy: -38.947 tors. eta vs tors. theta energy: -30.509 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: 353 Temperature: 1.300000 Total energy: -466.416627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.416627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.416627 (E_RNA) where: Base-Base interactions energy: -274.021 where: short stacking energy: -135.584 Base-Backbone interact. energy: 1.905 local terms energy: -194.300484 where: bonds (distance) C4'-P energy: -53.012 bonds (distance) P-C4' energy: -43.530 flat angles C4'-P-C4' energy: -55.569 flat angles P-C4'-P energy: -34.373 tors. eta vs tors. theta energy: -7.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -406.873596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.873596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.873596 (E_RNA) where: Base-Base interactions energy: -234.327 where: short stacking energy: -104.728 Base-Backbone interact. energy: -2.569 local terms energy: -169.977608 where: bonds (distance) C4'-P energy: -39.825 bonds (distance) P-C4' energy: -53.440 flat angles C4'-P-C4' energy: -46.374 flat angles P-C4'-P energy: -25.869 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: 10 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -1179.586510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.586510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.586510 (E_RNA) where: Base-Base interactions energy: -816.255 where: short stacking energy: -322.374 Base-Backbone interact. energy: -1.133 local terms energy: -362.198269 where: bonds (distance) C4'-P energy: -78.093 bonds (distance) P-C4' energy: -63.708 flat angles C4'-P-C4' energy: -67.454 flat angles P-C4'-P energy: -49.236 tors. eta vs tors. theta energy: -103.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -1148.880815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.880815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.880815 (E_RNA) where: Base-Base interactions energy: -808.956 where: short stacking energy: -338.015 Base-Backbone interact. energy: -1.193 local terms energy: -338.731511 where: bonds (distance) C4'-P energy: -47.752 bonds (distance) P-C4' energy: -66.777 flat angles C4'-P-C4' energy: -68.792 flat angles P-C4'-P energy: -54.710 tors. eta vs tors. theta energy: -100.700 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: 354 Temperature: 1.000000 Total energy: -1060.430066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1060.430066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1060.430066 (E_RNA) where: Base-Base interactions energy: -731.741 where: short stacking energy: -321.595 Base-Backbone interact. energy: -0.293 local terms energy: -328.395682 where: bonds (distance) C4'-P energy: -59.927 bonds (distance) P-C4' energy: -61.427 flat angles C4'-P-C4' energy: -73.420 flat angles P-C4'-P energy: -38.067 tors. eta vs tors. theta energy: -95.554 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: 6 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -1003.604818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.604818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.604818 (E_RNA) where: Base-Base interactions energy: -665.091 where: short stacking energy: -315.296 Base-Backbone interact. energy: -0.137 local terms energy: -338.376058 where: bonds (distance) C4'-P energy: -59.675 bonds (distance) P-C4' energy: -70.027 flat angles C4'-P-C4' energy: -72.438 flat angles P-C4'-P energy: -45.973 tors. eta vs tors. theta energy: -90.263 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -980.298561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.298561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.298561 (E_RNA) where: Base-Base interactions energy: -672.432 where: short stacking energy: -285.371 Base-Backbone interact. energy: -0.526 local terms energy: -307.340775 where: bonds (distance) C4'-P energy: -52.172 bonds (distance) P-C4' energy: -62.518 flat angles C4'-P-C4' energy: -60.762 flat angles P-C4'-P energy: -56.853 tors. eta vs tors. theta energy: -75.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -797.044106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.044106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.044106 (E_RNA) where: Base-Base interactions energy: -517.365 where: short stacking energy: -227.359 Base-Backbone interact. energy: -1.314 local terms energy: -278.364716 where: bonds (distance) C4'-P energy: -51.279 bonds (distance) P-C4' energy: -63.344 flat angles C4'-P-C4' energy: -64.247 flat angles P-C4'-P energy: -42.885 tors. eta vs tors. theta energy: -56.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -659.724055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.724055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.724055 (E_RNA) where: Base-Base interactions energy: -436.906 where: short stacking energy: -188.755 Base-Backbone interact. energy: -1.643 local terms energy: -221.175366 where: bonds (distance) C4'-P energy: -52.779 bonds (distance) P-C4' energy: -50.090 flat angles C4'-P-C4' energy: -54.118 flat angles P-C4'-P energy: -28.750 tors. eta vs tors. theta energy: -35.439 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: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -658.360519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.360519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.360519 (E_RNA) where: Base-Base interactions energy: -391.567 where: short stacking energy: -196.429 Base-Backbone interact. energy: 0.185 local terms energy: -266.977645 where: bonds (distance) C4'-P energy: -58.263 bonds (distance) P-C4' energy: -70.271 flat angles C4'-P-C4' energy: -57.291 flat angles P-C4'-P energy: -41.464 tors. eta vs tors. theta energy: -39.690 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: 354 Temperature: 1.300000 Total energy: -483.770493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -483.770493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -483.770493 (E_RNA) where: Base-Base interactions energy: -283.256 where: short stacking energy: -142.435 Base-Backbone interact. energy: 2.186 local terms energy: -202.700929 where: bonds (distance) C4'-P energy: -53.222 bonds (distance) P-C4' energy: -60.128 flat angles C4'-P-C4' energy: -40.194 flat angles P-C4'-P energy: -33.032 tors. eta vs tors. theta energy: -16.125 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: 7 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -416.616796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.616796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.616796 (E_RNA) where: Base-Base interactions energy: -231.579 where: short stacking energy: -108.018 Base-Backbone interact. energy: -1.932 local terms energy: -183.105375 where: bonds (distance) C4'-P energy: -49.275 bonds (distance) P-C4' energy: -63.995 flat angles C4'-P-C4' energy: -45.168 flat angles P-C4'-P energy: -18.427 tors. eta vs tors. theta energy: -6.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -1167.610697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.610697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.610697 (E_RNA) where: Base-Base interactions energy: -798.935 where: short stacking energy: -319.927 Base-Backbone interact. energy: -1.229 local terms energy: -367.446466 where: bonds (distance) C4'-P energy: -58.749 bonds (distance) P-C4' energy: -65.998 flat angles C4'-P-C4' energy: -80.530 flat angles P-C4'-P energy: -53.833 tors. eta vs tors. theta energy: -108.337 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: 9 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -1151.640344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.640344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.640344 (E_RNA) where: Base-Base interactions energy: -798.636 where: short stacking energy: -330.604 Base-Backbone interact. energy: -0.996 local terms energy: -352.008337 where: bonds (distance) C4'-P energy: -57.035 bonds (distance) P-C4' energy: -63.508 flat angles C4'-P-C4' energy: -73.371 flat angles P-C4'-P energy: -56.298 tors. eta vs tors. theta energy: -101.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -1052.111948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1052.111948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1052.111948 (E_RNA) where: Base-Base interactions energy: -725.580 where: short stacking energy: -325.906 Base-Backbone interact. energy: -2.735 local terms energy: -323.797267 where: bonds (distance) C4'-P energy: -56.674 bonds (distance) P-C4' energy: -64.920 flat angles C4'-P-C4' energy: -64.992 flat angles P-C4'-P energy: -45.956 tors. eta vs tors. theta energy: -91.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -1012.118607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.118607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.118607 (E_RNA) where: Base-Base interactions energy: -692.741 where: short stacking energy: -295.984 Base-Backbone interact. energy: -1.635 local terms energy: -317.743327 where: bonds (distance) C4'-P energy: -60.700 bonds (distance) P-C4' energy: -64.554 flat angles C4'-P-C4' energy: -64.940 flat angles P-C4'-P energy: -46.222 tors. eta vs tors. theta energy: -81.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -954.738649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.738649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.738649 (E_RNA) where: Base-Base interactions energy: -638.384 where: short stacking energy: -289.674 Base-Backbone interact. energy: -0.635 local terms energy: -315.720350 where: bonds (distance) C4'-P energy: -62.689 bonds (distance) P-C4' energy: -57.978 flat angles C4'-P-C4' energy: -66.310 flat angles P-C4'-P energy: -46.184 tors. eta vs tors. theta energy: -82.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -802.185053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -802.185053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -802.185053 (E_RNA) where: Base-Base interactions energy: -527.871 where: short stacking energy: -230.616 Base-Backbone interact. energy: 0.346 local terms energy: -274.659988 where: bonds (distance) C4'-P energy: -44.362 bonds (distance) P-C4' energy: -58.046 flat angles C4'-P-C4' energy: -63.809 flat angles P-C4'-P energy: -41.767 tors. eta vs tors. theta energy: -66.676 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: 4 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -646.015867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.015867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.015867 (E_RNA) where: Base-Base interactions energy: -400.019 where: short stacking energy: -169.680 Base-Backbone interact. energy: -1.133 local terms energy: -244.864794 where: bonds (distance) C4'-P energy: -52.576 bonds (distance) P-C4' energy: -63.093 flat angles C4'-P-C4' energy: -62.725 flat angles P-C4'-P energy: -37.614 tors. eta vs tors. theta energy: -28.857 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: 3 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -596.033747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.033747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.033747 (E_RNA) where: Base-Base interactions energy: -378.929 where: short stacking energy: -162.638 Base-Backbone interact. energy: -1.378 local terms energy: -215.727337 where: bonds (distance) C4'-P energy: -59.713 bonds (distance) P-C4' energy: -59.834 flat angles C4'-P-C4' energy: -52.706 flat angles P-C4'-P energy: -22.450 tors. eta vs tors. theta energy: -21.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -441.938755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.938755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.938755 (E_RNA) where: Base-Base interactions energy: -240.593 where: short stacking energy: -131.944 Base-Backbone interact. energy: -0.910 local terms energy: -200.436137 where: bonds (distance) C4'-P energy: -48.395 bonds (distance) P-C4' energy: -59.265 flat angles C4'-P-C4' energy: -45.332 flat angles P-C4'-P energy: -31.990 tors. eta vs tors. theta energy: -15.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -449.305068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -449.305068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -449.305068 (E_RNA) where: Base-Base interactions energy: -251.726 where: short stacking energy: -142.171 Base-Backbone interact. energy: -0.778 local terms energy: -196.800312 where: bonds (distance) C4'-P energy: -45.832 bonds (distance) P-C4' energy: -60.133 flat angles C4'-P-C4' energy: -45.231 flat angles P-C4'-P energy: -22.859 tors. eta vs tors. theta energy: -22.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -1160.438575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.438575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.438575 (E_RNA) where: Base-Base interactions energy: -821.424 where: short stacking energy: -339.481 Base-Backbone interact. energy: -1.971 local terms energy: -337.044074 where: bonds (distance) C4'-P energy: -62.511 bonds (distance) P-C4' energy: -56.116 flat angles C4'-P-C4' energy: -68.999 flat angles P-C4'-P energy: -47.823 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: 2, replica: 9 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -1133.595423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.595423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.595423 (E_RNA) where: Base-Base interactions energy: -767.228 where: short stacking energy: -326.824 Base-Backbone interact. energy: -0.732 local terms energy: -365.635265 where: bonds (distance) C4'-P energy: -67.069 bonds (distance) P-C4' energy: -70.818 flat angles C4'-P-C4' energy: -75.714 flat angles P-C4'-P energy: -52.747 tors. eta vs tors. theta energy: -99.287 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: 356 Temperature: 1.000000 Total energy: -1056.098825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.098825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.098825 (E_RNA) where: Base-Base interactions energy: -716.807 where: short stacking energy: -329.943 Base-Backbone interact. energy: 0.711 local terms energy: -340.002567 where: bonds (distance) C4'-P energy: -60.882 bonds (distance) P-C4' energy: -55.595 flat angles C4'-P-C4' energy: -72.102 flat angles P-C4'-P energy: -54.697 tors. eta vs tors. theta energy: -96.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -970.839543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -970.839543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -970.839543 (E_RNA) where: Base-Base interactions energy: -664.223 where: short stacking energy: -275.215 Base-Backbone interact. energy: -2.177 local terms energy: -304.439635 where: bonds (distance) C4'-P energy: -53.137 bonds (distance) P-C4' energy: -63.990 flat angles C4'-P-C4' energy: -65.785 flat angles P-C4'-P energy: -48.134 tors. eta vs tors. theta energy: -73.394 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: 6 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -952.538338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -952.538338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -952.538338 (E_RNA) where: Base-Base interactions energy: -656.916 where: short stacking energy: -292.954 Base-Backbone interact. energy: -1.261 local terms energy: -294.361715 where: bonds (distance) C4'-P energy: -50.762 bonds (distance) P-C4' energy: -61.156 flat angles C4'-P-C4' energy: -64.102 flat angles P-C4'-P energy: -41.427 tors. eta vs tors. theta energy: -76.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -762.874314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.874314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.874314 (E_RNA) where: Base-Base interactions energy: -477.277 where: short stacking energy: -229.575 Base-Backbone interact. energy: -1.419 local terms energy: -284.177820 where: bonds (distance) C4'-P energy: -65.895 bonds (distance) P-C4' energy: -40.993 flat angles C4'-P-C4' energy: -65.235 flat angles P-C4'-P energy: -50.080 tors. eta vs tors. theta energy: -61.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -647.872736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -647.872736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -647.872736 (E_RNA) where: Base-Base interactions energy: -409.696 where: short stacking energy: -199.312 Base-Backbone interact. energy: -1.595 local terms energy: -236.581324 where: bonds (distance) C4'-P energy: -50.297 bonds (distance) P-C4' energy: -65.554 flat angles C4'-P-C4' energy: -57.085 flat angles P-C4'-P energy: -28.563 tors. eta vs tors. theta energy: -35.083 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: 8, replica: 4 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -625.763337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.763337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.763337 (E_RNA) where: Base-Base interactions energy: -413.027 where: short stacking energy: -192.927 Base-Backbone interact. energy: -1.522 local terms energy: -211.214945 where: bonds (distance) C4'-P energy: -55.031 bonds (distance) P-C4' energy: -49.952 flat angles C4'-P-C4' energy: -46.428 flat angles P-C4'-P energy: -24.172 tors. eta vs tors. theta energy: -35.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -474.620073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.620073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.620073 (E_RNA) where: Base-Base interactions energy: -265.002 where: short stacking energy: -138.664 Base-Backbone interact. energy: -0.948 local terms energy: -208.670309 where: bonds (distance) C4'-P energy: -42.228 bonds (distance) P-C4' energy: -60.902 flat angles C4'-P-C4' energy: -50.057 flat angles P-C4'-P energy: -36.510 tors. eta vs tors. theta energy: -18.974 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: 7 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -398.818915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.818915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.818915 (E_RNA) where: Base-Base interactions energy: -213.952 where: short stacking energy: -102.756 Base-Backbone interact. energy: -1.637 local terms energy: -183.229358 where: bonds (distance) C4'-P energy: -58.836 bonds (distance) P-C4' energy: -51.557 flat angles C4'-P-C4' energy: -54.124 flat angles P-C4'-P energy: -25.528 tors. eta vs tors. theta energy: 6.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -1160.925500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.925500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.925500 (E_RNA) where: Base-Base interactions energy: -801.993 where: short stacking energy: -317.786 Base-Backbone interact. energy: -3.659 local terms energy: -355.273476 where: bonds (distance) C4'-P energy: -70.024 bonds (distance) P-C4' energy: -60.975 flat angles C4'-P-C4' energy: -74.498 flat angles P-C4'-P energy: -52.760 tors. eta vs tors. theta energy: -97.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -1063.571968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1063.571968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1063.571968 (E_RNA) where: Base-Base interactions energy: -727.450 where: short stacking energy: -316.083 Base-Backbone interact. energy: -1.906 local terms energy: -334.215756 where: bonds (distance) C4'-P energy: -64.897 bonds (distance) P-C4' energy: -60.641 flat angles C4'-P-C4' energy: -71.239 flat angles P-C4'-P energy: -45.468 tors. eta vs tors. theta energy: -91.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -1111.934542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1111.934542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1111.934542 (E_RNA) where: Base-Base interactions energy: -761.667 where: short stacking energy: -321.568 Base-Backbone interact. energy: -2.204 local terms energy: -348.063770 where: bonds (distance) C4'-P energy: -58.857 bonds (distance) P-C4' energy: -66.877 flat angles C4'-P-C4' energy: -79.607 flat angles P-C4'-P energy: -50.177 tors. eta vs tors. theta energy: -92.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -984.565944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.565944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.565944 (E_RNA) where: Base-Base interactions energy: -648.326 where: short stacking energy: -277.201 Base-Backbone interact. energy: -0.493 local terms energy: -335.746963 where: bonds (distance) C4'-P energy: -62.797 bonds (distance) P-C4' energy: -63.285 flat angles C4'-P-C4' energy: -65.958 flat angles P-C4'-P energy: -51.331 tors. eta vs tors. theta energy: -92.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -919.851489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.851489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.851489 (E_RNA) where: Base-Base interactions energy: -621.690 where: short stacking energy: -267.560 Base-Backbone interact. energy: -1.565 local terms energy: -296.596553 where: bonds (distance) C4'-P energy: -57.406 bonds (distance) P-C4' energy: -64.114 flat angles C4'-P-C4' energy: -60.379 flat angles P-C4'-P energy: -44.346 tors. eta vs tors. theta energy: -70.352 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: 6, replica: 5 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -750.697939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.697939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.697939 (E_RNA) where: Base-Base interactions energy: -497.445 where: short stacking energy: -231.668 Base-Backbone interact. energy: 1.263 local terms energy: -254.516381 where: bonds (distance) C4'-P energy: -65.585 bonds (distance) P-C4' energy: -46.091 flat angles C4'-P-C4' energy: -64.652 flat angles P-C4'-P energy: -28.686 tors. eta vs tors. theta energy: -49.502 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: 3 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -678.541773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.541773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.541773 (E_RNA) where: Base-Base interactions energy: -427.131 where: short stacking energy: -183.370 Base-Backbone interact. energy: -0.205 local terms energy: -251.206640 where: bonds (distance) C4'-P energy: -56.584 bonds (distance) P-C4' energy: -62.265 flat angles C4'-P-C4' energy: -52.478 flat angles P-C4'-P energy: -38.798 tors. eta vs tors. theta energy: -41.082 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: 4 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -634.691101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.691101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.691101 (E_RNA) where: Base-Base interactions energy: -384.322 where: short stacking energy: -175.686 Base-Backbone interact. energy: -0.307 local terms energy: -250.062314 where: bonds (distance) C4'-P energy: -59.994 bonds (distance) P-C4' energy: -68.767 flat angles C4'-P-C4' energy: -49.845 flat angles P-C4'-P energy: -37.535 tors. eta vs tors. theta energy: -33.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -530.486985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -530.486985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -530.486985 (E_RNA) where: Base-Base interactions energy: -303.738 where: short stacking energy: -160.212 Base-Backbone interact. energy: -0.894 local terms energy: -225.855117 where: bonds (distance) C4'-P energy: -46.390 bonds (distance) P-C4' energy: -58.698 flat angles C4'-P-C4' energy: -55.453 flat angles P-C4'-P energy: -31.729 tors. eta vs tors. theta energy: -33.585 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: 7 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -425.917887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.917887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.917887 (E_RNA) where: Base-Base interactions energy: -247.048 where: short stacking energy: -130.706 Base-Backbone interact. energy: -0.128 local terms energy: -178.741825 where: bonds (distance) C4'-P energy: -57.649 bonds (distance) P-C4' energy: -57.432 flat angles C4'-P-C4' energy: -42.271 flat angles P-C4'-P energy: -27.279 tors. eta vs tors. theta energy: 5.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -1163.259076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1163.259076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1163.259076 (E_RNA) where: Base-Base interactions energy: -810.760 where: short stacking energy: -317.826 Base-Backbone interact. energy: -1.918 local terms energy: -350.580215 where: bonds (distance) C4'-P energy: -68.037 bonds (distance) P-C4' energy: -66.766 flat angles C4'-P-C4' energy: -69.803 flat angles P-C4'-P energy: -48.393 tors. eta vs tors. theta energy: -97.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -1072.067450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.067450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.067450 (E_RNA) where: Base-Base interactions energy: -744.165 where: short stacking energy: -315.355 Base-Backbone interact. energy: -2.101 local terms energy: -325.802085 where: bonds (distance) C4'-P energy: -56.805 bonds (distance) P-C4' energy: -58.372 flat angles C4'-P-C4' energy: -74.466 flat angles P-C4'-P energy: -46.812 tors. eta vs tors. theta energy: -89.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -1132.046584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.046584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.046584 (E_RNA) where: Base-Base interactions energy: -784.847 where: short stacking energy: -313.307 Base-Backbone interact. energy: 1.388 local terms energy: -348.587278 where: bonds (distance) C4'-P energy: -70.708 bonds (distance) P-C4' energy: -60.231 flat angles C4'-P-C4' energy: -69.483 flat angles P-C4'-P energy: -53.197 tors. eta vs tors. theta energy: -94.968 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: 4, replica: 6 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -1014.870960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.870960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.870960 (E_RNA) where: Base-Base interactions energy: -673.204 where: short stacking energy: -314.992 Base-Backbone interact. energy: -0.782 local terms energy: -340.884365 where: bonds (distance) C4'-P energy: -62.545 bonds (distance) P-C4' energy: -68.753 flat angles C4'-P-C4' energy: -72.538 flat angles P-C4'-P energy: -39.573 tors. eta vs tors. theta energy: -97.475 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: 1 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -915.683494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.683494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.683494 (E_RNA) where: Base-Base interactions energy: -608.200 where: short stacking energy: -280.847 Base-Backbone interact. energy: 4.109 local terms energy: -311.592936 where: bonds (distance) C4'-P energy: -61.014 bonds (distance) P-C4' energy: -68.780 flat angles C4'-P-C4' energy: -71.701 flat angles P-C4'-P energy: -44.025 tors. eta vs tors. theta energy: -66.072 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: 6, replica: 5 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -777.688114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.688114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.688114 (E_RNA) where: Base-Base interactions energy: -532.014 where: short stacking energy: -239.920 Base-Backbone interact. energy: 4.326 local terms energy: -249.999262 where: bonds (distance) C4'-P energy: -40.895 bonds (distance) P-C4' energy: -50.351 flat angles C4'-P-C4' energy: -64.376 flat angles P-C4'-P energy: -48.737 tors. eta vs tors. theta energy: -45.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -622.291727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -622.291727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -622.291727 (E_RNA) where: Base-Base interactions energy: -385.464 where: short stacking energy: -166.680 Base-Backbone interact. energy: 9.322 local terms energy: -246.149430 where: bonds (distance) C4'-P energy: -66.774 bonds (distance) P-C4' energy: -53.305 flat angles C4'-P-C4' energy: -52.966 flat angles P-C4'-P energy: -38.071 tors. eta vs tors. theta energy: -35.033 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: 8, replica: 3 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -625.103300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -625.103300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -625.103300 (E_RNA) where: Base-Base interactions energy: -382.177 where: short stacking energy: -166.999 Base-Backbone interact. energy: 0.000 local terms energy: -242.926564 where: bonds (distance) C4'-P energy: -61.396 bonds (distance) P-C4' energy: -64.221 flat angles C4'-P-C4' energy: -58.592 flat angles P-C4'-P energy: -36.969 tors. eta vs tors. theta energy: -21.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -494.738611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -494.738611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -494.738611 (E_RNA) where: Base-Base interactions energy: -294.579 where: short stacking energy: -140.659 Base-Backbone interact. energy: 1.418 local terms energy: -201.577639 where: bonds (distance) C4'-P energy: -40.835 bonds (distance) P-C4' energy: -50.042 flat angles C4'-P-C4' energy: -55.473 flat angles P-C4'-P energy: -41.509 tors. eta vs tors. theta energy: -13.718 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: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -397.478812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -397.478812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -397.478812 (E_RNA) where: Base-Base interactions energy: -204.699 where: short stacking energy: -113.012 Base-Backbone interact. energy: 0.132 local terms energy: -192.911252 where: bonds (distance) C4'-P energy: -56.335 bonds (distance) P-C4' energy: -53.041 flat angles C4'-P-C4' energy: -53.836 flat angles P-C4'-P energy: -22.233 tors. eta vs tors. theta energy: -7.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -1176.914159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.914159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.914159 (E_RNA) where: Base-Base interactions energy: -823.031 where: short stacking energy: -319.954 Base-Backbone interact. energy: -4.002 local terms energy: -349.881464 where: bonds (distance) C4'-P energy: -64.704 bonds (distance) P-C4' energy: -70.501 flat angles C4'-P-C4' energy: -63.944 flat angles P-C4'-P energy: -54.522 tors. eta vs tors. theta energy: -96.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -1156.695126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.695126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.695126 (E_RNA) where: Base-Base interactions energy: -815.244 where: short stacking energy: -331.323 Base-Backbone interact. energy: -0.372 local terms energy: -341.079271 where: bonds (distance) C4'-P energy: -51.768 bonds (distance) P-C4' energy: -66.091 flat angles C4'-P-C4' energy: -76.015 flat angles P-C4'-P energy: -48.441 tors. eta vs tors. theta energy: -98.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -1066.232889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1066.232889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1066.232889 (E_RNA) where: Base-Base interactions energy: -714.339 where: short stacking energy: -321.434 Base-Backbone interact. energy: -2.150 local terms energy: -349.743476 where: bonds (distance) C4'-P energy: -70.123 bonds (distance) P-C4' energy: -67.958 flat angles C4'-P-C4' energy: -70.078 flat angles P-C4'-P energy: -51.208 tors. eta vs tors. theta energy: -90.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -1017.315583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1017.315583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1017.315583 (E_RNA) where: Base-Base interactions energy: -696.255 where: short stacking energy: -318.627 Base-Backbone interact. energy: -0.539 local terms energy: -320.521931 where: bonds (distance) C4'-P energy: -53.080 bonds (distance) P-C4' energy: -62.062 flat angles C4'-P-C4' energy: -69.513 flat angles P-C4'-P energy: -39.093 tors. eta vs tors. theta energy: -96.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -927.094218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -927.094218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -927.094218 (E_RNA) where: Base-Base interactions energy: -640.418 where: short stacking energy: -286.195 Base-Backbone interact. energy: -1.541 local terms energy: -285.135760 where: bonds (distance) C4'-P energy: -52.258 bonds (distance) P-C4' energy: -60.118 flat angles C4'-P-C4' energy: -53.721 flat angles P-C4'-P energy: -45.578 tors. eta vs tors. theta energy: -73.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -823.228846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.228846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.228846 (E_RNA) where: Base-Base interactions energy: -544.593 where: short stacking energy: -248.017 Base-Backbone interact. energy: 2.240 local terms energy: -280.876362 where: bonds (distance) C4'-P energy: -57.074 bonds (distance) P-C4' energy: -58.019 flat angles C4'-P-C4' energy: -59.843 flat angles P-C4'-P energy: -38.987 tors. eta vs tors. theta energy: -66.953 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -615.546942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.546942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.546942 (E_RNA) where: Base-Base interactions energy: -388.696 where: short stacking energy: -190.318 Base-Backbone interact. energy: -1.573 local terms energy: -225.277732 where: bonds (distance) C4'-P energy: -41.309 bonds (distance) P-C4' energy: -59.070 flat angles C4'-P-C4' energy: -63.376 flat angles P-C4'-P energy: -32.931 tors. eta vs tors. theta energy: -28.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -630.755227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -630.755227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -630.755227 (E_RNA) where: Base-Base interactions energy: -384.880 where: short stacking energy: -183.864 Base-Backbone interact. energy: 0.489 local terms energy: -246.363876 where: bonds (distance) C4'-P energy: -57.911 bonds (distance) P-C4' energy: -66.405 flat angles C4'-P-C4' energy: -59.778 flat angles P-C4'-P energy: -38.035 tors. eta vs tors. theta energy: -24.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -582.374620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.374620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.374620 (E_RNA) where: Base-Base interactions energy: -350.115 where: short stacking energy: -166.180 Base-Backbone interact. energy: -0.966 local terms energy: -231.294399 where: bonds (distance) C4'-P energy: -62.656 bonds (distance) P-C4' energy: -62.109 flat angles C4'-P-C4' energy: -54.446 flat angles P-C4'-P energy: -32.940 tors. eta vs tors. theta energy: -19.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -457.224898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.224898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.224898 (E_RNA) where: Base-Base interactions energy: -266.687 where: short stacking energy: -148.558 Base-Backbone interact. energy: -0.321 local terms energy: -190.216409 where: bonds (distance) C4'-P energy: -33.268 bonds (distance) P-C4' energy: -54.658 flat angles C4'-P-C4' energy: -46.345 flat angles P-C4'-P energy: -25.119 tors. eta vs tors. theta energy: -30.826 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: 1, replica: 10 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -1166.455669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.455669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.455669 (E_RNA) where: Base-Base interactions energy: -827.711 where: short stacking energy: -330.368 Base-Backbone interact. energy: -0.689 local terms energy: -338.055592 where: bonds (distance) C4'-P energy: -65.135 bonds (distance) P-C4' energy: -63.344 flat angles C4'-P-C4' energy: -71.536 flat angles P-C4'-P energy: -45.746 tors. eta vs tors. theta energy: -92.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -1151.427011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.427011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.427011 (E_RNA) where: Base-Base interactions energy: -801.522 where: short stacking energy: -342.676 Base-Backbone interact. energy: -2.660 local terms energy: -347.245758 where: bonds (distance) C4'-P energy: -68.054 bonds (distance) P-C4' energy: -58.462 flat angles C4'-P-C4' energy: -72.751 flat angles P-C4'-P energy: -53.551 tors. eta vs tors. theta energy: -94.427 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: 6 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -1014.905749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.905749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.905749 (E_RNA) where: Base-Base interactions energy: -687.891 where: short stacking energy: -321.801 Base-Backbone interact. energy: 0.127 local terms energy: -327.141844 where: bonds (distance) C4'-P energy: -43.513 bonds (distance) P-C4' energy: -65.796 flat angles C4'-P-C4' energy: -71.528 flat angles P-C4'-P energy: -54.559 tors. eta vs tors. theta energy: -91.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -1005.362978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.362978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.362978 (E_RNA) where: Base-Base interactions energy: -688.761 where: short stacking energy: -299.322 Base-Backbone interact. energy: -1.374 local terms energy: -315.227296 where: bonds (distance) C4'-P energy: -65.231 bonds (distance) P-C4' energy: -57.925 flat angles C4'-P-C4' energy: -66.029 flat angles P-C4'-P energy: -46.112 tors. eta vs tors. theta energy: -79.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -941.162511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.162511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.162511 (E_RNA) where: Base-Base interactions energy: -647.965 where: short stacking energy: -268.936 Base-Backbone interact. energy: -1.373 local terms energy: -291.824153 where: bonds (distance) C4'-P energy: -55.771 bonds (distance) P-C4' energy: -62.532 flat angles C4'-P-C4' energy: -63.944 flat angles P-C4'-P energy: -38.500 tors. eta vs tors. theta energy: -71.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -873.944343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.944343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.944343 (E_RNA) where: Base-Base interactions energy: -596.278 where: short stacking energy: -251.472 Base-Backbone interact. energy: -1.451 local terms energy: -276.215800 where: bonds (distance) C4'-P energy: -47.141 bonds (distance) P-C4' energy: -58.486 flat angles C4'-P-C4' energy: -63.818 flat angles P-C4'-P energy: -44.924 tors. eta vs tors. theta energy: -61.847 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: 3 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -645.424618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.424618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.424618 (E_RNA) where: Base-Base interactions energy: -398.394 where: short stacking energy: -196.050 Base-Backbone interact. energy: -1.229 local terms energy: -245.801732 where: bonds (distance) C4'-P energy: -58.590 bonds (distance) P-C4' energy: -59.122 flat angles C4'-P-C4' energy: -61.491 flat angles P-C4'-P energy: -31.122 tors. eta vs tors. theta energy: -35.477 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: 4 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -623.363502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.363502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.363502 (E_RNA) where: Base-Base interactions energy: -376.756 where: short stacking energy: -171.407 Base-Backbone interact. energy: -1.242 local terms energy: -245.366130 where: bonds (distance) C4'-P energy: -54.430 bonds (distance) P-C4' energy: -64.872 flat angles C4'-P-C4' energy: -49.447 flat angles P-C4'-P energy: -43.883 tors. eta vs tors. theta energy: -32.734 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: 2 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -592.445816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.445816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.445816 (E_RNA) where: Base-Base interactions energy: -363.050 where: short stacking energy: -153.012 Base-Backbone interact. energy: -1.289 local terms energy: -228.106388 where: bonds (distance) C4'-P energy: -52.962 bonds (distance) P-C4' energy: -62.789 flat angles C4'-P-C4' energy: -56.459 flat angles P-C4'-P energy: -36.708 tors. eta vs tors. theta energy: -19.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -418.666101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.666101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.666101 (E_RNA) where: Base-Base interactions energy: -220.504 where: short stacking energy: -112.973 Base-Backbone interact. energy: 3.846 local terms energy: -202.007191 where: bonds (distance) C4'-P energy: -57.628 bonds (distance) P-C4' energy: -58.556 flat angles C4'-P-C4' energy: -47.560 flat angles P-C4'-P energy: -36.915 tors. eta vs tors. theta energy: -1.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -1177.008538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.008538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.008538 (E_RNA) where: Base-Base interactions energy: -830.054 where: short stacking energy: -318.831 Base-Backbone interact. energy: -0.098 local terms energy: -346.856889 where: bonds (distance) C4'-P energy: -65.799 bonds (distance) P-C4' energy: -66.134 flat angles C4'-P-C4' energy: -69.129 flat angles P-C4'-P energy: -48.863 tors. eta vs tors. theta energy: -96.932 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: 2, replica: 9 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -1152.566019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.566019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.566019 (E_RNA) where: Base-Base interactions energy: -800.456 where: short stacking energy: -321.966 Base-Backbone interact. energy: -1.070 local terms energy: -351.040395 where: bonds (distance) C4'-P energy: -58.501 bonds (distance) P-C4' energy: -77.794 flat angles C4'-P-C4' energy: -74.025 flat angles P-C4'-P energy: -48.999 tors. eta vs tors. theta energy: -91.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -1027.863074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.863074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.863074 (E_RNA) where: Base-Base interactions energy: -704.383 where: short stacking energy: -327.483 Base-Backbone interact. energy: -1.658 local terms energy: -321.822422 where: bonds (distance) C4'-P energy: -69.419 bonds (distance) P-C4' energy: -59.293 flat angles C4'-P-C4' energy: -64.726 flat angles P-C4'-P energy: -38.940 tors. eta vs tors. theta energy: -89.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -971.682654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.682654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.682654 (E_RNA) where: Base-Base interactions energy: -656.920 where: short stacking energy: -297.540 Base-Backbone interact. energy: -1.857 local terms energy: -312.906084 where: bonds (distance) C4'-P energy: -50.276 bonds (distance) P-C4' energy: -64.439 flat angles C4'-P-C4' energy: -67.019 flat angles P-C4'-P energy: -47.834 tors. eta vs tors. theta energy: -83.337 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: 8 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -995.746514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.746514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.746514 (E_RNA) where: Base-Base interactions energy: -674.294 where: short stacking energy: -292.468 Base-Backbone interact. energy: -1.300 local terms energy: -320.152993 where: bonds (distance) C4'-P energy: -61.305 bonds (distance) P-C4' energy: -65.152 flat angles C4'-P-C4' energy: -67.931 flat angles P-C4'-P energy: -47.410 tors. eta vs tors. theta energy: -78.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -916.863885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.863885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.863885 (E_RNA) where: Base-Base interactions energy: -599.287 where: short stacking energy: -253.898 Base-Backbone interact. energy: -1.674 local terms energy: -315.902832 where: bonds (distance) C4'-P energy: -53.764 bonds (distance) P-C4' energy: -60.231 flat angles C4'-P-C4' energy: -74.470 flat angles P-C4'-P energy: -47.815 tors. eta vs tors. theta energy: -79.623 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: 361 Temperature: 1.200000 Total energy: -651.058124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.058124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.058124 (E_RNA) where: Base-Base interactions energy: -404.139 where: short stacking energy: -208.536 Base-Backbone interact. energy: -0.744 local terms energy: -246.175369 where: bonds (distance) C4'-P energy: -50.730 bonds (distance) P-C4' energy: -60.902 flat angles C4'-P-C4' energy: -64.193 flat angles P-C4'-P energy: -25.884 tors. eta vs tors. theta energy: -44.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -649.469026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.469026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.469026 (E_RNA) where: Base-Base interactions energy: -409.952 where: short stacking energy: -201.978 Base-Backbone interact. energy: 2.620 local terms energy: -242.136873 where: bonds (distance) C4'-P energy: -60.379 bonds (distance) P-C4' energy: -59.380 flat angles C4'-P-C4' energy: -50.302 flat angles P-C4'-P energy: -36.662 tors. eta vs tors. theta energy: -35.413 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: 2 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -582.334247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -582.334247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -582.334247 (E_RNA) where: Base-Base interactions energy: -347.897 where: short stacking energy: -164.254 Base-Backbone interact. energy: -0.907 local terms energy: -233.530406 where: bonds (distance) C4'-P energy: -53.474 bonds (distance) P-C4' energy: -65.763 flat angles C4'-P-C4' energy: -55.767 flat angles P-C4'-P energy: -30.661 tors. eta vs tors. theta energy: -27.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -424.712155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.712155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.712155 (E_RNA) where: Base-Base interactions energy: -228.574 where: short stacking energy: -118.221 Base-Backbone interact. energy: 1.108 local terms energy: -197.246675 where: bonds (distance) C4'-P energy: -53.381 bonds (distance) P-C4' energy: -48.722 flat angles C4'-P-C4' energy: -53.573 flat angles P-C4'-P energy: -25.707 tors. eta vs tors. theta energy: -15.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -1172.630624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.630624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.630624 (E_RNA) where: Base-Base interactions energy: -816.311 where: short stacking energy: -327.164 Base-Backbone interact. energy: -2.853 local terms energy: -353.466414 where: bonds (distance) C4'-P energy: -60.365 bonds (distance) P-C4' energy: -65.191 flat angles C4'-P-C4' energy: -76.897 flat angles P-C4'-P energy: -51.787 tors. eta vs tors. theta energy: -99.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -1149.322127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.322127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.322127 (E_RNA) where: Base-Base interactions energy: -813.928 where: short stacking energy: -337.857 Base-Backbone interact. energy: -0.720 local terms energy: -334.673361 where: bonds (distance) C4'-P energy: -58.981 bonds (distance) P-C4' energy: -61.205 flat angles C4'-P-C4' energy: -70.500 flat angles P-C4'-P energy: -52.881 tors. eta vs tors. theta energy: -91.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -1027.716581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.716581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.716581 (E_RNA) where: Base-Base interactions energy: -711.940 where: short stacking energy: -311.188 Base-Backbone interact. energy: -1.384 local terms energy: -314.392295 where: bonds (distance) C4'-P energy: -50.019 bonds (distance) P-C4' energy: -54.811 flat angles C4'-P-C4' energy: -72.510 flat angles P-C4'-P energy: -47.813 tors. eta vs tors. theta energy: -89.240 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: 1 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -955.086875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -955.086875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -955.086875 (E_RNA) where: Base-Base interactions energy: -637.641 where: short stacking energy: -285.494 Base-Backbone interact. energy: -0.364 local terms energy: -317.080991 where: bonds (distance) C4'-P energy: -59.748 bonds (distance) P-C4' energy: -65.826 flat angles C4'-P-C4' energy: -65.534 flat angles P-C4'-P energy: -42.405 tors. eta vs tors. theta energy: -83.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -1008.897602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.897602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.897602 (E_RNA) where: Base-Base interactions energy: -681.588 where: short stacking energy: -289.446 Base-Backbone interact. energy: 0.608 local terms energy: -327.917555 where: bonds (distance) C4'-P energy: -71.682 bonds (distance) P-C4' energy: -53.743 flat angles C4'-P-C4' energy: -66.447 flat angles P-C4'-P energy: -47.130 tors. eta vs tors. theta energy: -88.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -890.992901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.992901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.992901 (E_RNA) where: Base-Base interactions energy: -609.060 where: short stacking energy: -271.888 Base-Backbone interact. energy: -1.914 local terms energy: -280.019021 where: bonds (distance) C4'-P energy: -52.327 bonds (distance) P-C4' energy: -57.891 flat angles C4'-P-C4' energy: -60.086 flat angles P-C4'-P energy: -45.161 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: 7, replica: 4 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -651.858058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.858058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.858058 (E_RNA) where: Base-Base interactions energy: -407.976 where: short stacking energy: -190.520 Base-Backbone interact. energy: -3.555 local terms energy: -240.327380 where: bonds (distance) C4'-P energy: -50.788 bonds (distance) P-C4' energy: -64.708 flat angles C4'-P-C4' energy: -55.036 flat angles P-C4'-P energy: -30.500 tors. eta vs tors. theta energy: -39.296 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: 8, replica: 3 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -613.952492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -613.952492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -613.952492 (E_RNA) where: Base-Base interactions energy: -369.936 where: short stacking energy: -168.272 Base-Backbone interact. energy: -4.051 local terms energy: -239.965600 where: bonds (distance) C4'-P energy: -53.738 bonds (distance) P-C4' energy: -62.609 flat angles C4'-P-C4' energy: -52.200 flat angles P-C4'-P energy: -34.500 tors. eta vs tors. theta energy: -36.919 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: 9, replica: 2 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -616.396138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -616.396138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -616.396138 (E_RNA) where: Base-Base interactions energy: -403.074 where: short stacking energy: -182.351 Base-Backbone interact. energy: -0.561 local terms energy: -212.761359 where: bonds (distance) C4'-P energy: -47.322 bonds (distance) P-C4' energy: -51.136 flat angles C4'-P-C4' energy: -51.753 flat angles P-C4'-P energy: -31.704 tors. eta vs tors. theta energy: -30.847 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: 7 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -445.696337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -445.696337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -445.696337 (E_RNA) where: Base-Base interactions energy: -231.543 where: short stacking energy: -130.902 Base-Backbone interact. energy: 1.779 local terms energy: -215.932570 where: bonds (distance) C4'-P energy: -63.908 bonds (distance) P-C4' energy: -52.535 flat angles C4'-P-C4' energy: -53.967 flat angles P-C4'-P energy: -27.817 tors. eta vs tors. theta energy: -17.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -1191.987145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1191.987145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1191.987145 (E_RNA) where: Base-Base interactions energy: -829.130 where: short stacking energy: -325.324 Base-Backbone interact. energy: -3.949 local terms energy: -358.907453 where: bonds (distance) C4'-P energy: -67.161 bonds (distance) P-C4' energy: -67.222 flat angles C4'-P-C4' energy: -77.755 flat angles P-C4'-P energy: -45.595 tors. eta vs tors. theta energy: -101.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -1145.411793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.411793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.411793 (E_RNA) where: Base-Base interactions energy: -794.667 where: short stacking energy: -302.131 Base-Backbone interact. energy: -1.879 local terms energy: -348.865778 where: bonds (distance) C4'-P energy: -60.073 bonds (distance) P-C4' energy: -65.004 flat angles C4'-P-C4' energy: -69.090 flat angles P-C4'-P energy: -60.917 tors. eta vs tors. theta energy: -93.783 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: 6 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -1031.581472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.581472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.581472 (E_RNA) where: Base-Base interactions energy: -683.702 where: short stacking energy: -301.506 Base-Backbone interact. energy: -0.756 local terms energy: -347.123258 where: bonds (distance) C4'-P energy: -68.140 bonds (distance) P-C4' energy: -60.400 flat angles C4'-P-C4' energy: -72.843 flat angles P-C4'-P energy: -53.665 tors. eta vs tors. theta energy: -92.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -1044.459576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.459576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.459576 (E_RNA) where: Base-Base interactions energy: -729.337 where: short stacking energy: -321.578 Base-Backbone interact. energy: 0.783 local terms energy: -315.905232 where: bonds (distance) C4'-P energy: -63.689 bonds (distance) P-C4' energy: -58.705 flat angles C4'-P-C4' energy: -59.310 flat angles P-C4'-P energy: -43.717 tors. eta vs tors. theta energy: -90.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -936.716893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -936.716893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -936.716893 (E_RNA) where: Base-Base interactions energy: -639.424 where: short stacking energy: -288.285 Base-Backbone interact. energy: 0.342 local terms energy: -297.635051 where: bonds (distance) C4'-P energy: -50.513 bonds (distance) P-C4' energy: -69.222 flat angles C4'-P-C4' energy: -62.288 flat angles P-C4'-P energy: -36.709 tors. eta vs tors. theta energy: -78.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -912.114295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.114295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.114295 (E_RNA) where: Base-Base interactions energy: -636.476 where: short stacking energy: -274.463 Base-Backbone interact. energy: -0.138 local terms energy: -275.500885 where: bonds (distance) C4'-P energy: -40.676 bonds (distance) P-C4' energy: -58.262 flat angles C4'-P-C4' energy: -59.501 flat angles P-C4'-P energy: -38.652 tors. eta vs tors. theta energy: -78.411 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: 4 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -701.818515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.818515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.818515 (E_RNA) where: Base-Base interactions energy: -457.125 where: short stacking energy: -212.912 Base-Backbone interact. energy: 2.446 local terms energy: -247.139556 where: bonds (distance) C4'-P energy: -62.026 bonds (distance) P-C4' energy: -50.141 flat angles C4'-P-C4' energy: -56.401 flat angles P-C4'-P energy: -34.625 tors. eta vs tors. theta energy: -43.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -648.376480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.376480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.376480 (E_RNA) where: Base-Base interactions energy: -396.238 where: short stacking energy: -191.189 Base-Backbone interact. energy: 0.553 local terms energy: -252.691209 where: bonds (distance) C4'-P energy: -51.046 bonds (distance) P-C4' energy: -62.274 flat angles C4'-P-C4' energy: -62.768 flat angles P-C4'-P energy: -37.466 tors. eta vs tors. theta energy: -39.136 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: 3 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -595.509162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.509162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.509162 (E_RNA) where: Base-Base interactions energy: -357.532 where: short stacking energy: -159.327 Base-Backbone interact. energy: -1.613 local terms energy: -236.363407 where: bonds (distance) C4'-P energy: -51.223 bonds (distance) P-C4' energy: -61.868 flat angles C4'-P-C4' energy: -54.724 flat angles P-C4'-P energy: -44.897 tors. eta vs tors. theta energy: -23.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -430.479192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.479192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.479192 (E_RNA) where: Base-Base interactions energy: -221.761 where: short stacking energy: -111.086 Base-Backbone interact. energy: -0.891 local terms energy: -207.827514 where: bonds (distance) C4'-P energy: -41.052 bonds (distance) P-C4' energy: -64.836 flat angles C4'-P-C4' energy: -52.486 flat angles P-C4'-P energy: -38.909 tors. eta vs tors. theta energy: -10.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -1157.341496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1157.341496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1157.341496 (E_RNA) where: Base-Base interactions energy: -815.990 where: short stacking energy: -300.817 Base-Backbone interact. energy: -3.433 local terms energy: -337.918848 where: bonds (distance) C4'-P energy: -70.941 bonds (distance) P-C4' energy: -56.448 flat angles C4'-P-C4' energy: -79.204 flat angles P-C4'-P energy: -47.085 tors. eta vs tors. theta energy: -84.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -1149.260359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.260359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.260359 (E_RNA) where: Base-Base interactions energy: -799.898 where: short stacking energy: -327.938 Base-Backbone interact. energy: -0.742 local terms energy: -348.620428 where: bonds (distance) C4'-P energy: -62.871 bonds (distance) P-C4' energy: -62.715 flat angles C4'-P-C4' energy: -74.022 flat angles P-C4'-P energy: -48.789 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: 3, replica: 8 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -1032.246419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1032.246419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1032.246419 (E_RNA) where: Base-Base interactions energy: -704.331 where: short stacking energy: -306.257 Base-Backbone interact. energy: 0.451 local terms energy: -328.366417 where: bonds (distance) C4'-P energy: -59.235 bonds (distance) P-C4' energy: -59.780 flat angles C4'-P-C4' energy: -68.912 flat angles P-C4'-P energy: -54.675 tors. eta vs tors. theta energy: -85.765 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: 6 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -1030.861088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.861088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.861088 (E_RNA) where: Base-Base interactions energy: -716.991 where: short stacking energy: -317.056 Base-Backbone interact. energy: 0.238 local terms energy: -314.108235 where: bonds (distance) C4'-P energy: -48.085 bonds (distance) P-C4' energy: -67.219 flat angles C4'-P-C4' energy: -63.915 flat angles P-C4'-P energy: -44.385 tors. eta vs tors. theta energy: -90.505 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: 364 Temperature: 1.100000 Total energy: -916.573598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.573598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.573598 (E_RNA) where: Base-Base interactions energy: -612.118 where: short stacking energy: -246.876 Base-Backbone interact. energy: -0.426 local terms energy: -304.029540 where: bonds (distance) C4'-P energy: -66.181 bonds (distance) P-C4' energy: -63.195 flat angles C4'-P-C4' energy: -66.781 flat angles P-C4'-P energy: -38.979 tors. eta vs tors. theta energy: -68.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 364 Temperature: 1.150000 Total energy: -904.670347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.670347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.670347 (E_RNA) where: Base-Base interactions energy: -593.887 where: short stacking energy: -255.793 Base-Backbone interact. energy: -1.033 local terms energy: -309.750453 where: bonds (distance) C4'-P energy: -60.180 bonds (distance) P-C4' energy: -65.979 flat angles C4'-P-C4' energy: -70.533 flat angles P-C4'-P energy: -39.031 tors. eta vs tors. theta energy: -74.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -697.318598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.318598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.318598 (E_RNA) where: Base-Base interactions energy: -446.561 where: short stacking energy: -188.462 Base-Backbone interact. energy: -0.864 local terms energy: -249.893587 where: bonds (distance) C4'-P energy: -58.579 bonds (distance) P-C4' energy: -59.767 flat angles C4'-P-C4' energy: -50.546 flat angles P-C4'-P energy: -43.415 tors. eta vs tors. theta energy: -37.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -634.140353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -634.140353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -634.140353 (E_RNA) where: Base-Base interactions energy: -394.997 where: short stacking energy: -163.090 Base-Backbone interact. energy: 1.259 local terms energy: -240.402505 where: bonds (distance) C4'-P energy: -56.331 bonds (distance) P-C4' energy: -64.045 flat angles C4'-P-C4' energy: -44.292 flat angles P-C4'-P energy: -38.936 tors. eta vs tors. theta energy: -36.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -585.776549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.776549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.776549 (E_RNA) where: Base-Base interactions energy: -363.965 where: short stacking energy: -158.664 Base-Backbone interact. energy: -0.501 local terms energy: -221.310560 where: bonds (distance) C4'-P energy: -49.161 bonds (distance) P-C4' energy: -63.054 flat angles C4'-P-C4' energy: -60.200 flat angles P-C4'-P energy: -29.545 tors. eta vs tors. theta energy: -19.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -428.212983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.212983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.212983 (E_RNA) where: Base-Base interactions energy: -238.116 where: short stacking energy: -131.092 Base-Backbone interact. energy: 0.098 local terms energy: -190.195383 where: bonds (distance) C4'-P energy: -43.434 bonds (distance) P-C4' energy: -50.446 flat angles C4'-P-C4' energy: -53.684 flat angles P-C4'-P energy: -35.274 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: 1, replica: 10 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -1174.827443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.827443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.827443 (E_RNA) where: Base-Base interactions energy: -812.298 where: short stacking energy: -320.229 Base-Backbone interact. energy: -2.103 local terms energy: -360.425798 where: bonds (distance) C4'-P energy: -71.219 bonds (distance) P-C4' energy: -66.439 flat angles C4'-P-C4' energy: -75.621 flat angles P-C4'-P energy: -46.485 tors. eta vs tors. theta energy: -100.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -1154.552327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1154.552327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1154.552327 (E_RNA) where: Base-Base interactions energy: -809.898 where: short stacking energy: -341.654 Base-Backbone interact. energy: -1.956 local terms energy: -342.699018 where: bonds (distance) C4'-P energy: -59.412 bonds (distance) P-C4' energy: -64.438 flat angles C4'-P-C4' energy: -73.250 flat angles P-C4'-P energy: -44.425 tors. eta vs tors. theta energy: -101.173 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: 365 Temperature: 1.000000 Total energy: -1050.605214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1050.605214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1050.605214 (E_RNA) where: Base-Base interactions energy: -710.672 where: short stacking energy: -288.413 Base-Backbone interact. energy: -0.354 local terms energy: -339.578473 where: bonds (distance) C4'-P energy: -57.861 bonds (distance) P-C4' energy: -69.479 flat angles C4'-P-C4' energy: -74.931 flat angles P-C4'-P energy: -53.951 tors. eta vs tors. theta energy: -83.356 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: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -1029.175134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.175134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.175134 (E_RNA) where: Base-Base interactions energy: -693.994 where: short stacking energy: -342.340 Base-Backbone interact. energy: -0.289 local terms energy: -334.891810 where: bonds (distance) C4'-P energy: -61.130 bonds (distance) P-C4' energy: -62.509 flat angles C4'-P-C4' energy: -74.599 flat angles P-C4'-P energy: -38.860 tors. eta vs tors. theta energy: -97.794 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: 5 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -943.527328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -943.527328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -943.527328 (E_RNA) where: Base-Base interactions energy: -626.480 where: short stacking energy: -261.537 Base-Backbone interact. energy: -1.129 local terms energy: -315.917637 where: bonds (distance) C4'-P energy: -56.622 bonds (distance) P-C4' energy: -70.262 flat angles C4'-P-C4' energy: -66.327 flat angles P-C4'-P energy: -49.489 tors. eta vs tors. theta energy: -73.217 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: 1 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -912.486942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.486942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.486942 (E_RNA) where: Base-Base interactions energy: -611.995 where: short stacking energy: -259.653 Base-Backbone interact. energy: -0.934 local terms energy: -299.557708 where: bonds (distance) C4'-P energy: -54.864 bonds (distance) P-C4' energy: -64.467 flat angles C4'-P-C4' energy: -66.673 flat angles P-C4'-P energy: -49.151 tors. eta vs tors. theta energy: -64.403 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: 7, replica: 4 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -669.007642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -669.007642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -669.007642 (E_RNA) where: Base-Base interactions energy: -422.151 where: short stacking energy: -178.357 Base-Backbone interact. energy: -0.435 local terms energy: -246.421573 where: bonds (distance) C4'-P energy: -58.770 bonds (distance) P-C4' energy: -66.145 flat angles C4'-P-C4' energy: -47.601 flat angles P-C4'-P energy: -35.499 tors. eta vs tors. theta energy: -38.407 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: 8, replica: 3 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -643.072835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -643.072835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -643.072835 (E_RNA) where: Base-Base interactions energy: -409.750 where: short stacking energy: -178.862 Base-Backbone interact. energy: -0.394 local terms energy: -232.929343 where: bonds (distance) C4'-P energy: -49.738 bonds (distance) P-C4' energy: -56.308 flat angles C4'-P-C4' energy: -57.600 flat angles P-C4'-P energy: -41.896 tors. eta vs tors. theta energy: -27.387 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: 9, replica: 2 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -637.588785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.588785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.588785 (E_RNA) where: Base-Base interactions energy: -418.176 where: short stacking energy: -182.255 Base-Backbone interact. energy: -1.757 local terms energy: -217.655819 where: bonds (distance) C4'-P energy: -54.894 bonds (distance) P-C4' energy: -53.510 flat angles C4'-P-C4' energy: -47.984 flat angles P-C4'-P energy: -34.929 tors. eta vs tors. theta energy: -26.339 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: 7 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -406.991659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.991659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.991659 (E_RNA) where: Base-Base interactions energy: -223.165 where: short stacking energy: -104.958 Base-Backbone interact. energy: -0.724 local terms energy: -183.102189 where: bonds (distance) C4'-P energy: -46.066 bonds (distance) P-C4' energy: -70.128 flat angles C4'-P-C4' energy: -36.766 flat angles P-C4'-P energy: -35.511 tors. eta vs tors. theta energy: 5.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -1176.959871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1176.959871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1176.959871 (E_RNA) where: Base-Base interactions energy: -818.984 where: short stacking energy: -318.972 Base-Backbone interact. energy: -3.073 local terms energy: -354.903178 where: bonds (distance) C4'-P energy: -67.181 bonds (distance) P-C4' energy: -69.677 flat angles C4'-P-C4' energy: -73.254 flat angles P-C4'-P energy: -55.101 tors. eta vs tors. theta energy: -89.689 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -1130.863829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.863829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.863829 (E_RNA) where: Base-Base interactions energy: -781.238 where: short stacking energy: -326.753 Base-Backbone interact. energy: -2.155 local terms energy: -347.470194 where: bonds (distance) C4'-P energy: -61.857 bonds (distance) P-C4' energy: -58.438 flat angles C4'-P-C4' energy: -83.565 flat angles P-C4'-P energy: -47.746 tors. eta vs tors. theta energy: -95.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 366 Temperature: 1.000000 Total energy: -1055.770383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1055.770383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1055.770383 (E_RNA) where: Base-Base interactions energy: -706.053 where: short stacking energy: -320.562 Base-Backbone interact. energy: -1.070 local terms energy: -348.647155 where: bonds (distance) C4'-P energy: -59.694 bonds (distance) P-C4' energy: -66.138 flat angles C4'-P-C4' energy: -77.997 flat angles P-C4'-P energy: -46.473 tors. eta vs tors. theta energy: -98.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -1022.192550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1022.192550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1022.192550 (E_RNA) where: Base-Base interactions energy: -713.100 where: short stacking energy: -283.335 Base-Backbone interact. energy: 1.402 local terms energy: -310.494002 where: bonds (distance) C4'-P energy: -48.645 bonds (distance) P-C4' energy: -65.205 flat angles C4'-P-C4' energy: -68.714 flat angles P-C4'-P energy: -43.268 tors. eta vs tors. theta energy: -84.661 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: 5 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -912.176696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.176696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.176696 (E_RNA) where: Base-Base interactions energy: -637.158 where: short stacking energy: -289.419 Base-Backbone interact. energy: -0.603 local terms energy: -274.416269 where: bonds (distance) C4'-P energy: -53.423 bonds (distance) P-C4' energy: -50.519 flat angles C4'-P-C4' energy: -59.603 flat angles P-C4'-P energy: -25.819 tors. eta vs tors. theta energy: -85.052 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: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -868.740260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -868.740260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -868.740260 (E_RNA) where: Base-Base interactions energy: -594.539 where: short stacking energy: -249.099 Base-Backbone interact. energy: -1.024 local terms energy: -273.177907 where: bonds (distance) C4'-P energy: -53.051 bonds (distance) P-C4' energy: -51.039 flat angles C4'-P-C4' energy: -66.769 flat angles P-C4'-P energy: -39.886 tors. eta vs tors. theta energy: -62.432 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: 3 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -639.102315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -639.102315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -639.102315 (E_RNA) where: Base-Base interactions energy: -390.064 where: short stacking energy: -174.613 Base-Backbone interact. energy: -2.275 local terms energy: -246.763865 where: bonds (distance) C4'-P energy: -56.744 bonds (distance) P-C4' energy: -57.117 flat angles C4'-P-C4' energy: -56.330 flat angles P-C4'-P energy: -41.522 tors. eta vs tors. theta energy: -35.051 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: 4 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -618.034981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -618.034981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -618.034981 (E_RNA) where: Base-Base interactions energy: -395.494 where: short stacking energy: -181.221 Base-Backbone interact. energy: 0.546 local terms energy: -223.086685 where: bonds (distance) C4'-P energy: -58.650 bonds (distance) P-C4' energy: -54.296 flat angles C4'-P-C4' energy: -43.033 flat angles P-C4'-P energy: -36.737 tors. eta vs tors. theta energy: -30.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -594.539110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.539110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.539110 (E_RNA) where: Base-Base interactions energy: -374.966 where: short stacking energy: -171.714 Base-Backbone interact. energy: -0.947 local terms energy: -218.625558 where: bonds (distance) C4'-P energy: -51.506 bonds (distance) P-C4' energy: -56.564 flat angles C4'-P-C4' energy: -48.664 flat angles P-C4'-P energy: -32.545 tors. eta vs tors. theta energy: -29.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -398.870580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -398.870580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -398.870580 (E_RNA) where: Base-Base interactions energy: -215.698 where: short stacking energy: -114.620 Base-Backbone interact. energy: -1.403 local terms energy: -181.769302 where: bonds (distance) C4'-P energy: -45.873 bonds (distance) P-C4' energy: -59.870 flat angles C4'-P-C4' energy: -51.469 flat angles P-C4'-P energy: -20.951 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: 10 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -1186.625454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.625454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.625454 (E_RNA) where: Base-Base interactions energy: -834.047 where: short stacking energy: -340.522 Base-Backbone interact. energy: -1.328 local terms energy: -351.250832 where: bonds (distance) C4'-P energy: -59.737 bonds (distance) P-C4' energy: -70.824 flat angles C4'-P-C4' energy: -70.232 flat angles P-C4'-P energy: -49.157 tors. eta vs tors. theta energy: -101.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -1140.028780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.028780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.028780 (E_RNA) where: Base-Base interactions energy: -795.213 where: short stacking energy: -330.706 Base-Backbone interact. energy: -0.556 local terms energy: -344.260038 where: bonds (distance) C4'-P energy: -58.459 bonds (distance) P-C4' energy: -62.187 flat angles C4'-P-C4' energy: -77.076 flat angles P-C4'-P energy: -50.115 tors. eta vs tors. theta energy: -96.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -1025.061899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.061899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.061899 (E_RNA) where: Base-Base interactions energy: -689.033 where: short stacking energy: -316.770 Base-Backbone interact. energy: -0.408 local terms energy: -335.620623 where: bonds (distance) C4'-P energy: -65.324 bonds (distance) P-C4' energy: -65.936 flat angles C4'-P-C4' energy: -62.358 flat angles P-C4'-P energy: -51.116 tors. eta vs tors. theta energy: -90.887 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: 8 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -1046.201496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1046.201496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1046.201496 (E_RNA) where: Base-Base interactions energy: -742.930 where: short stacking energy: -285.061 Base-Backbone interact. energy: -1.156 local terms energy: -302.115680 where: bonds (distance) C4'-P energy: -55.162 bonds (distance) P-C4' energy: -61.364 flat angles C4'-P-C4' energy: -70.523 flat angles P-C4'-P energy: -39.865 tors. eta vs tors. theta energy: -75.201 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: 5 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -901.123740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -901.123740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -901.123740 (E_RNA) where: Base-Base interactions energy: -597.593 where: short stacking energy: -259.316 Base-Backbone interact. energy: -2.693 local terms energy: -300.837945 where: bonds (distance) C4'-P energy: -49.681 bonds (distance) P-C4' energy: -52.587 flat angles C4'-P-C4' energy: -70.247 flat angles P-C4'-P energy: -50.753 tors. eta vs tors. theta energy: -77.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -870.586666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.586666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.586666 (E_RNA) where: Base-Base interactions energy: -580.219 where: short stacking energy: -266.289 Base-Backbone interact. energy: 0.593 local terms energy: -290.960509 where: bonds (distance) C4'-P energy: -51.609 bonds (distance) P-C4' energy: -56.191 flat angles C4'-P-C4' energy: -68.422 flat angles P-C4'-P energy: -45.901 tors. eta vs tors. theta energy: -68.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -646.596674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.596674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.596674 (E_RNA) where: Base-Base interactions energy: -416.173 where: short stacking energy: -184.904 Base-Backbone interact. energy: -4.173 local terms energy: -226.251183 where: bonds (distance) C4'-P energy: -50.009 bonds (distance) P-C4' energy: -55.865 flat angles C4'-P-C4' energy: -67.376 flat angles P-C4'-P energy: -23.463 tors. eta vs tors. theta energy: -29.538 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: 367 Temperature: 1.250000 Total energy: -655.540557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.540557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.540557 (E_RNA) where: Base-Base interactions energy: -413.015 where: short stacking energy: -192.971 Base-Backbone interact. energy: -1.011 local terms energy: -241.515039 where: bonds (distance) C4'-P energy: -54.387 bonds (distance) P-C4' energy: -52.047 flat angles C4'-P-C4' energy: -59.566 flat angles P-C4'-P energy: -38.408 tors. eta vs tors. theta energy: -37.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -658.535853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.535853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.535853 (E_RNA) where: Base-Base interactions energy: -416.679 where: short stacking energy: -188.042 Base-Backbone interact. energy: 0.710 local terms energy: -242.566781 where: bonds (distance) C4'-P energy: -65.915 bonds (distance) P-C4' energy: -58.564 flat angles C4'-P-C4' energy: -51.467 flat angles P-C4'-P energy: -28.449 tors. eta vs tors. theta energy: -38.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -440.003771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -440.003771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -440.003771 (E_RNA) where: Base-Base interactions energy: -257.008 where: short stacking energy: -114.985 Base-Backbone interact. energy: -0.046 local terms energy: -182.950057 where: bonds (distance) C4'-P energy: -36.900 bonds (distance) P-C4' energy: -58.013 flat angles C4'-P-C4' energy: -50.239 flat angles P-C4'-P energy: -32.780 tors. eta vs tors. theta energy: -5.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -1168.156504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.156504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.156504 (E_RNA) where: Base-Base interactions energy: -817.085 where: short stacking energy: -336.354 Base-Backbone interact. energy: -1.522 local terms energy: -349.548890 where: bonds (distance) C4'-P energy: -67.334 bonds (distance) P-C4' energy: -71.023 flat angles C4'-P-C4' energy: -73.308 flat angles P-C4'-P energy: -43.697 tors. eta vs tors. theta energy: -94.188 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: 10 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -1140.884668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.884668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.884668 (E_RNA) where: Base-Base interactions energy: -784.269 where: short stacking energy: -310.697 Base-Backbone interact. energy: -1.239 local terms energy: -355.377063 where: bonds (distance) C4'-P energy: -73.068 bonds (distance) P-C4' energy: -64.859 flat angles C4'-P-C4' energy: -61.769 flat angles P-C4'-P energy: -54.615 tors. eta vs tors. theta energy: -101.066 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: 3, replica: 8 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -1067.676134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1067.676134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1067.676134 (E_RNA) where: Base-Base interactions energy: -754.852 where: short stacking energy: -298.803 Base-Backbone interact. energy: 0.880 local terms energy: -313.704582 where: bonds (distance) C4'-P energy: -66.481 bonds (distance) P-C4' energy: -66.352 flat angles C4'-P-C4' energy: -58.947 flat angles P-C4'-P energy: -46.883 tors. eta vs tors. theta energy: -75.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -997.408951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -997.408951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -997.408951 (E_RNA) where: Base-Base interactions energy: -677.860 where: short stacking energy: -297.551 Base-Backbone interact. energy: -0.374 local terms energy: -319.174409 where: bonds (distance) C4'-P energy: -50.716 bonds (distance) P-C4' energy: -56.711 flat angles C4'-P-C4' energy: -76.360 flat angles P-C4'-P energy: -48.524 tors. eta vs tors. theta energy: -86.864 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: 1 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -909.054250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -909.054250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -909.054250 (E_RNA) where: Base-Base interactions energy: -600.588 where: short stacking energy: -267.493 Base-Backbone interact. energy: -1.869 local terms energy: -306.597200 where: bonds (distance) C4'-P energy: -57.810 bonds (distance) P-C4' energy: -60.139 flat angles C4'-P-C4' energy: -68.372 flat angles P-C4'-P energy: -45.246 tors. eta vs tors. theta energy: -75.030 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: 5 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -874.093728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.093728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.093728 (E_RNA) where: Base-Base interactions energy: -579.910 where: short stacking energy: -261.394 Base-Backbone interact. energy: -1.190 local terms energy: -292.993749 where: bonds (distance) C4'-P energy: -66.791 bonds (distance) P-C4' energy: -65.411 flat angles C4'-P-C4' energy: -46.651 flat angles P-C4'-P energy: -40.044 tors. eta vs tors. theta energy: -74.096 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: 4 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -661.527349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -661.527349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -661.527349 (E_RNA) where: Base-Base interactions energy: -399.631 where: short stacking energy: -191.415 Base-Backbone interact. energy: -3.291 local terms energy: -258.605205 where: bonds (distance) C4'-P energy: -57.552 bonds (distance) P-C4' energy: -60.242 flat angles C4'-P-C4' energy: -67.287 flat angles P-C4'-P energy: -32.885 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: 8, replica: 3 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -628.447154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.447154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.447154 (E_RNA) where: Base-Base interactions energy: -380.039 where: short stacking energy: -168.772 Base-Backbone interact. energy: -2.193 local terms energy: -246.215548 where: bonds (distance) C4'-P energy: -52.643 bonds (distance) P-C4' energy: -52.377 flat angles C4'-P-C4' energy: -57.796 flat angles P-C4'-P energy: -36.883 tors. eta vs tors. theta energy: -46.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -626.024932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -626.024932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -626.024932 (E_RNA) where: Base-Base interactions energy: -388.430 where: short stacking energy: -170.665 Base-Backbone interact. energy: 2.295 local terms energy: -239.890137 where: bonds (distance) C4'-P energy: -48.504 bonds (distance) P-C4' energy: -62.991 flat angles C4'-P-C4' energy: -58.020 flat angles P-C4'-P energy: -37.157 tors. eta vs tors. theta energy: -33.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -423.413896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.413896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.413896 (E_RNA) where: Base-Base interactions energy: -249.038 where: short stacking energy: -122.570 Base-Backbone interact. energy: -2.140 local terms energy: -172.235449 where: bonds (distance) C4'-P energy: -46.537 bonds (distance) P-C4' energy: -57.453 flat angles C4'-P-C4' energy: -46.460 flat angles P-C4'-P energy: -20.232 tors. eta vs tors. theta energy: -1.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -1160.709372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.709372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.709372 (E_RNA) where: Base-Base interactions energy: -819.504 where: short stacking energy: -340.686 Base-Backbone interact. energy: -1.488 local terms energy: -339.717376 where: bonds (distance) C4'-P energy: -57.933 bonds (distance) P-C4' energy: -61.616 flat angles C4'-P-C4' energy: -70.361 flat angles P-C4'-P energy: -50.711 tors. eta vs tors. theta energy: -99.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -1145.490045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.490045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.490045 (E_RNA) where: Base-Base interactions energy: -801.888 where: short stacking energy: -341.875 Base-Backbone interact. energy: -0.647 local terms energy: -342.955785 where: bonds (distance) C4'-P energy: -64.243 bonds (distance) P-C4' energy: -58.175 flat angles C4'-P-C4' energy: -76.520 flat angles P-C4'-P energy: -45.441 tors. eta vs tors. theta energy: -98.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -1086.103862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.103862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.103862 (E_RNA) where: Base-Base interactions energy: -771.654 where: short stacking energy: -303.472 Base-Backbone interact. energy: -0.728 local terms energy: -313.722187 where: bonds (distance) C4'-P energy: -62.685 bonds (distance) P-C4' energy: -65.477 flat angles C4'-P-C4' energy: -74.371 flat angles P-C4'-P energy: -33.682 tors. eta vs tors. theta energy: -77.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -1008.813445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.813445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.813445 (E_RNA) where: Base-Base interactions energy: -667.004 where: short stacking energy: -308.953 Base-Backbone interact. energy: 0.063 local terms energy: -341.872143 where: bonds (distance) C4'-P energy: -63.733 bonds (distance) P-C4' energy: -63.050 flat angles C4'-P-C4' energy: -72.864 flat angles P-C4'-P energy: -44.796 tors. eta vs tors. theta energy: -97.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -886.742915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.742915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.742915 (E_RNA) where: Base-Base interactions energy: -606.617 where: short stacking energy: -264.305 Base-Backbone interact. energy: -0.045 local terms energy: -280.080486 where: bonds (distance) C4'-P energy: -49.444 bonds (distance) P-C4' energy: -56.866 flat angles C4'-P-C4' energy: -59.160 flat angles P-C4'-P energy: -41.735 tors. eta vs tors. theta energy: -72.875 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: 5 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -857.636905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.636905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.636905 (E_RNA) where: Base-Base interactions energy: -559.065 where: short stacking energy: -238.683 Base-Backbone interact. energy: -2.122 local terms energy: -296.449941 where: bonds (distance) C4'-P energy: -54.503 bonds (distance) P-C4' energy: -63.479 flat angles C4'-P-C4' energy: -63.429 flat angles P-C4'-P energy: -49.186 tors. eta vs tors. theta energy: -65.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -662.113541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -662.113541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -662.113541 (E_RNA) where: Base-Base interactions energy: -401.435 where: short stacking energy: -202.660 Base-Backbone interact. energy: -1.280 local terms energy: -259.397714 where: bonds (distance) C4'-P energy: -64.363 bonds (distance) P-C4' energy: -54.576 flat angles C4'-P-C4' energy: -54.545 flat angles P-C4'-P energy: -39.847 tors. eta vs tors. theta energy: -46.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -642.629646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.629646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.629646 (E_RNA) where: Base-Base interactions energy: -399.178 where: short stacking energy: -199.008 Base-Backbone interact. energy: -1.547 local terms energy: -241.904341 where: bonds (distance) C4'-P energy: -52.834 bonds (distance) P-C4' energy: -56.261 flat angles C4'-P-C4' energy: -45.815 flat angles P-C4'-P energy: -39.663 tors. eta vs tors. theta energy: -47.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -608.752930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -608.752930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -608.752930 (E_RNA) where: Base-Base interactions energy: -389.368 where: short stacking energy: -183.601 Base-Backbone interact. energy: -0.459 local terms energy: -218.925586 where: bonds (distance) C4'-P energy: -57.477 bonds (distance) P-C4' energy: -52.646 flat angles C4'-P-C4' energy: -46.488 flat angles P-C4'-P energy: -22.203 tors. eta vs tors. theta energy: -40.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -422.428948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.428948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.428948 (E_RNA) where: Base-Base interactions energy: -224.854 where: short stacking energy: -110.805 Base-Backbone interact. energy: 3.700 local terms energy: -201.275105 where: bonds (distance) C4'-P energy: -60.453 bonds (distance) P-C4' energy: -66.412 flat angles C4'-P-C4' energy: -43.873 flat angles P-C4'-P energy: -26.171 tors. eta vs tors. theta energy: -4.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -1179.443304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.443304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.443304 (E_RNA) where: Base-Base interactions energy: -831.550 where: short stacking energy: -346.681 Base-Backbone interact. energy: -0.548 local terms energy: -347.344799 where: bonds (distance) C4'-P energy: -59.511 bonds (distance) P-C4' energy: -70.258 flat angles C4'-P-C4' energy: -71.756 flat angles P-C4'-P energy: -44.863 tors. eta vs tors. theta energy: -100.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -1161.869096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.869096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.869096 (E_RNA) where: Base-Base interactions energy: -807.642 where: short stacking energy: -336.683 Base-Backbone interact. energy: -1.183 local terms energy: -353.043994 where: bonds (distance) C4'-P energy: -61.926 bonds (distance) P-C4' energy: -73.888 flat angles C4'-P-C4' energy: -79.788 flat angles P-C4'-P energy: -42.808 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: 3, replica: 8 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -1086.173431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.173431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.173431 (E_RNA) where: Base-Base interactions energy: -750.633 where: short stacking energy: -308.344 Base-Backbone interact. energy: -1.518 local terms energy: -334.022119 where: bonds (distance) C4'-P energy: -58.595 bonds (distance) P-C4' energy: -67.573 flat angles C4'-P-C4' energy: -78.669 flat angles P-C4'-P energy: -50.636 tors. eta vs tors. theta energy: -78.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -1027.753839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.753839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.753839 (E_RNA) where: Base-Base interactions energy: -699.505 where: short stacking energy: -307.373 Base-Backbone interact. energy: -3.078 local terms energy: -325.171115 where: bonds (distance) C4'-P energy: -62.586 bonds (distance) P-C4' energy: -59.973 flat angles C4'-P-C4' energy: -70.854 flat angles P-C4'-P energy: -37.625 tors. eta vs tors. theta energy: -94.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 370 Temperature: 1.100000 Total energy: -880.990468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -880.990468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -880.990468 (E_RNA) where: Base-Base interactions energy: -589.138 where: short stacking energy: -254.447 Base-Backbone interact. energy: 1.295 local terms energy: -293.147598 where: bonds (distance) C4'-P energy: -51.826 bonds (distance) P-C4' energy: -62.839 flat angles C4'-P-C4' energy: -73.367 flat angles P-C4'-P energy: -41.087 tors. eta vs tors. theta energy: -64.029 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: 5 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -864.315989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.315989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.315989 (E_RNA) where: Base-Base interactions energy: -572.597 where: short stacking energy: -230.587 Base-Backbone interact. energy: -2.675 local terms energy: -289.044101 where: bonds (distance) C4'-P energy: -58.329 bonds (distance) P-C4' energy: -59.583 flat angles C4'-P-C4' energy: -66.648 flat angles P-C4'-P energy: -43.676 tors. eta vs tors. theta energy: -60.808 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: 7, replica: 2 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -668.401243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.401243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.401243 (E_RNA) where: Base-Base interactions energy: -434.092 where: short stacking energy: -205.126 Base-Backbone interact. energy: -0.511 local terms energy: -233.797606 where: bonds (distance) C4'-P energy: -54.723 bonds (distance) P-C4' energy: -59.737 flat angles C4'-P-C4' energy: -52.917 flat angles P-C4'-P energy: -35.063 tors. eta vs tors. theta energy: -31.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -655.426840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.426840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.426840 (E_RNA) where: Base-Base interactions energy: -393.996 where: short stacking energy: -191.200 Base-Backbone interact. energy: -0.132 local terms energy: -261.299506 where: bonds (distance) C4'-P energy: -54.499 bonds (distance) P-C4' energy: -55.599 flat angles C4'-P-C4' energy: -58.771 flat angles P-C4'-P energy: -49.824 tors. eta vs tors. theta energy: -42.606 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: 3 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -617.998874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -617.998874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -617.998874 (E_RNA) where: Base-Base interactions energy: -395.133 where: short stacking energy: -185.466 Base-Backbone interact. energy: 0.903 local terms energy: -223.768146 where: bonds (distance) C4'-P energy: -50.623 bonds (distance) P-C4' energy: -49.398 flat angles C4'-P-C4' energy: -53.274 flat angles P-C4'-P energy: -37.752 tors. eta vs tors. theta energy: -32.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -418.566788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.566788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.566788 (E_RNA) where: Base-Base interactions energy: -228.701 where: short stacking energy: -118.866 Base-Backbone interact. energy: -1.219 local terms energy: -188.647081 where: bonds (distance) C4'-P energy: -52.950 bonds (distance) P-C4' energy: -56.004 flat angles C4'-P-C4' energy: -50.646 flat angles P-C4'-P energy: -17.720 tors. eta vs tors. theta energy: -11.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -1162.363071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.363071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.363071 (E_RNA) where: Base-Base interactions energy: -812.158 where: short stacking energy: -338.166 Base-Backbone interact. energy: -0.346 local terms energy: -349.859790 where: bonds (distance) C4'-P energy: -67.811 bonds (distance) P-C4' energy: -60.779 flat angles C4'-P-C4' energy: -79.437 flat angles P-C4'-P energy: -43.016 tors. eta vs tors. theta energy: -98.817 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: 10 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -1159.015018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1159.015018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1159.015018 (E_RNA) where: Base-Base interactions energy: -819.466 where: short stacking energy: -325.481 Base-Backbone interact. energy: -2.582 local terms energy: -336.966551 where: bonds (distance) C4'-P energy: -59.405 bonds (distance) P-C4' energy: -62.654 flat angles C4'-P-C4' energy: -76.027 flat angles P-C4'-P energy: -45.371 tors. eta vs tors. theta energy: -93.510 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: 8 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -1080.104965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.104965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.104965 (E_RNA) where: Base-Base interactions energy: -731.868 where: short stacking energy: -299.506 Base-Backbone interact. energy: -1.852 local terms energy: -346.385348 where: bonds (distance) C4'-P energy: -62.697 bonds (distance) P-C4' energy: -71.169 flat angles C4'-P-C4' energy: -67.252 flat angles P-C4'-P energy: -57.514 tors. eta vs tors. theta energy: -87.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -1027.585960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1027.585960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1027.585960 (E_RNA) where: Base-Base interactions energy: -697.259 where: short stacking energy: -303.108 Base-Backbone interact. energy: -0.457 local terms energy: -329.870279 where: bonds (distance) C4'-P energy: -59.016 bonds (distance) P-C4' energy: -57.668 flat angles C4'-P-C4' energy: -75.628 flat angles P-C4'-P energy: -43.028 tors. eta vs tors. theta energy: -94.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -866.981697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.981697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.981697 (E_RNA) where: Base-Base interactions energy: -569.604 where: short stacking energy: -256.790 Base-Backbone interact. energy: 0.005 local terms energy: -297.382837 where: bonds (distance) C4'-P energy: -55.522 bonds (distance) P-C4' energy: -60.186 flat angles C4'-P-C4' energy: -66.471 flat angles P-C4'-P energy: -50.026 tors. eta vs tors. theta energy: -65.178 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: 6, replica: 5 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -871.965283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -871.965283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -871.965283 (E_RNA) where: Base-Base interactions energy: -579.588 where: short stacking energy: -262.203 Base-Backbone interact. energy: -0.413 local terms energy: -291.964535 where: bonds (distance) C4'-P energy: -54.700 bonds (distance) P-C4' energy: -62.232 flat angles C4'-P-C4' energy: -59.667 flat angles P-C4'-P energy: -42.020 tors. eta vs tors. theta energy: -73.345 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: 2 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -718.375906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.375906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.375906 (E_RNA) where: Base-Base interactions energy: -461.269 where: short stacking energy: -212.263 Base-Backbone interact. energy: 0.192 local terms energy: -257.298929 where: bonds (distance) C4'-P energy: -63.073 bonds (distance) P-C4' energy: -57.453 flat angles C4'-P-C4' energy: -55.120 flat angles P-C4'-P energy: -42.628 tors. eta vs tors. theta energy: -39.025 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: 3 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -654.163823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.163823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.163823 (E_RNA) where: Base-Base interactions energy: -410.304 where: short stacking energy: -195.330 Base-Backbone interact. energy: -0.212 local terms energy: -243.647780 where: bonds (distance) C4'-P energy: -48.951 bonds (distance) P-C4' energy: -57.345 flat angles C4'-P-C4' energy: -61.626 flat angles P-C4'-P energy: -35.753 tors. eta vs tors. theta energy: -39.973 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: 4 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -568.005125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -568.005125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -568.005125 (E_RNA) where: Base-Base interactions energy: -359.917 where: short stacking energy: -169.601 Base-Backbone interact. energy: 1.518 local terms energy: -209.606794 where: bonds (distance) C4'-P energy: -42.668 bonds (distance) P-C4' energy: -51.890 flat angles C4'-P-C4' energy: -53.032 flat angles P-C4'-P energy: -37.694 tors. eta vs tors. theta energy: -24.324 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: 10, replica: 7 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -435.171755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -435.171755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -435.171755 (E_RNA) where: Base-Base interactions energy: -223.607 where: short stacking energy: -114.571 Base-Backbone interact. energy: -0.912 local terms energy: -210.653686 where: bonds (distance) C4'-P energy: -48.829 bonds (distance) P-C4' energy: -59.217 flat angles C4'-P-C4' energy: -51.802 flat angles P-C4'-P energy: -35.635 tors. eta vs tors. theta energy: -15.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -1161.802032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.802032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.802032 (E_RNA) where: Base-Base interactions energy: -803.074 where: short stacking energy: -344.224 Base-Backbone interact. energy: -2.361 local terms energy: -356.367606 where: bonds (distance) C4'-P energy: -56.914 bonds (distance) P-C4' energy: -71.057 flat angles C4'-P-C4' energy: -72.406 flat angles P-C4'-P energy: -53.334 tors. eta vs tors. theta energy: -102.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -1139.822529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.822529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.822529 (E_RNA) where: Base-Base interactions energy: -790.911 where: short stacking energy: -317.551 Base-Backbone interact. energy: -3.106 local terms energy: -345.805565 where: bonds (distance) C4'-P energy: -73.416 bonds (distance) P-C4' energy: -57.482 flat angles C4'-P-C4' energy: -62.512 flat angles P-C4'-P energy: -55.610 tors. eta vs tors. theta energy: -96.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -1100.144663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.144663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.144663 (E_RNA) where: Base-Base interactions energy: -762.260 where: short stacking energy: -301.317 Base-Backbone interact. energy: -2.067 local terms energy: -335.817196 where: bonds (distance) C4'-P energy: -70.178 bonds (distance) P-C4' energy: -58.917 flat angles C4'-P-C4' energy: -74.410 flat angles P-C4'-P energy: -44.680 tors. eta vs tors. theta energy: -87.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -1043.171149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1043.171149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1043.171149 (E_RNA) where: Base-Base interactions energy: -702.972 where: short stacking energy: -328.062 Base-Backbone interact. energy: -0.042 local terms energy: -340.157138 where: bonds (distance) C4'-P energy: -58.170 bonds (distance) P-C4' energy: -65.812 flat angles C4'-P-C4' energy: -69.922 flat angles P-C4'-P energy: -46.594 tors. eta vs tors. theta energy: -99.659 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: 5 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -902.462747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.462747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.462747 (E_RNA) where: Base-Base interactions energy: -586.232 where: short stacking energy: -257.760 Base-Backbone interact. energy: 1.647 local terms energy: -317.877805 where: bonds (distance) C4'-P energy: -60.076 bonds (distance) P-C4' energy: -58.671 flat angles C4'-P-C4' energy: -65.267 flat angles P-C4'-P energy: -51.765 tors. eta vs tors. theta energy: -82.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -829.774458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.774458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.774458 (E_RNA) where: Base-Base interactions energy: -533.125 where: short stacking energy: -224.156 Base-Backbone interact. energy: -2.646 local terms energy: -294.002693 where: bonds (distance) C4'-P energy: -70.205 bonds (distance) P-C4' energy: -59.159 flat angles C4'-P-C4' energy: -72.260 flat angles P-C4'-P energy: -41.930 tors. eta vs tors. theta energy: -50.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -691.512792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.512792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.512792 (E_RNA) where: Base-Base interactions energy: -432.435 where: short stacking energy: -198.849 Base-Backbone interact. energy: -1.797 local terms energy: -257.280598 where: bonds (distance) C4'-P energy: -61.429 bonds (distance) P-C4' energy: -60.670 flat angles C4'-P-C4' energy: -53.027 flat angles P-C4'-P energy: -44.628 tors. eta vs tors. theta energy: -37.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -689.887711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -689.887711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -689.887711 (E_RNA) where: Base-Base interactions energy: -449.065 where: short stacking energy: -198.097 Base-Backbone interact. energy: -1.835 local terms energy: -238.988002 where: bonds (distance) C4'-P energy: -51.069 bonds (distance) P-C4' energy: -56.152 flat angles C4'-P-C4' energy: -52.413 flat angles P-C4'-P energy: -41.924 tors. eta vs tors. theta energy: -37.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -623.492433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -623.492433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -623.492433 (E_RNA) where: Base-Base interactions energy: -384.181 where: short stacking energy: -173.975 Base-Backbone interact. energy: 2.673 local terms energy: -241.984713 where: bonds (distance) C4'-P energy: -49.960 bonds (distance) P-C4' energy: -60.960 flat angles C4'-P-C4' energy: -55.037 flat angles P-C4'-P energy: -39.137 tors. eta vs tors. theta energy: -36.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -413.480356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.480356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.480356 (E_RNA) where: Base-Base interactions energy: -220.409 where: short stacking energy: -128.266 Base-Backbone interact. energy: 4.792 local terms energy: -197.863312 where: bonds (distance) C4'-P energy: -51.977 bonds (distance) P-C4' energy: -53.979 flat angles C4'-P-C4' energy: -48.837 flat angles P-C4'-P energy: -27.084 tors. eta vs tors. theta energy: -15.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -1172.448774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.448774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.448774 (E_RNA) where: Base-Base interactions energy: -809.690 where: short stacking energy: -342.359 Base-Backbone interact. energy: -2.344 local terms energy: -360.414225 where: bonds (distance) C4'-P energy: -66.659 bonds (distance) P-C4' energy: -58.774 flat angles C4'-P-C4' energy: -75.162 flat angles P-C4'-P energy: -56.055 tors. eta vs tors. theta energy: -103.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -1147.157716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.157716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.157716 (E_RNA) where: Base-Base interactions energy: -788.661 where: short stacking energy: -320.528 Base-Backbone interact. energy: -3.957 local terms energy: -354.539688 where: bonds (distance) C4'-P energy: -62.033 bonds (distance) P-C4' energy: -68.029 flat angles C4'-P-C4' energy: -78.460 flat angles P-C4'-P energy: -48.558 tors. eta vs tors. theta energy: -97.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -1101.071568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.071568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.071568 (E_RNA) where: Base-Base interactions energy: -762.261 where: short stacking energy: -326.715 Base-Backbone interact. energy: -1.020 local terms energy: -337.790206 where: bonds (distance) C4'-P energy: -52.495 bonds (distance) P-C4' energy: -68.494 flat angles C4'-P-C4' energy: -76.553 flat angles P-C4'-P energy: -50.557 tors. eta vs tors. theta energy: -89.691 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: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -1023.067068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.067068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.067068 (E_RNA) where: Base-Base interactions energy: -705.431 where: short stacking energy: -318.951 Base-Backbone interact. energy: -1.110 local terms energy: -316.526442 where: bonds (distance) C4'-P energy: -48.649 bonds (distance) P-C4' energy: -63.004 flat angles C4'-P-C4' energy: -76.354 flat angles P-C4'-P energy: -35.194 tors. eta vs tors. theta energy: -93.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -924.214701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.214701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.214701 (E_RNA) where: Base-Base interactions energy: -635.736 where: short stacking energy: -286.047 Base-Backbone interact. energy: -0.957 local terms energy: -287.521249 where: bonds (distance) C4'-P energy: -58.089 bonds (distance) P-C4' energy: -58.218 flat angles C4'-P-C4' energy: -67.614 flat angles P-C4'-P energy: -30.317 tors. eta vs tors. theta energy: -73.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -789.802780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.802780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.802780 (E_RNA) where: Base-Base interactions energy: -508.645 where: short stacking energy: -218.615 Base-Backbone interact. energy: 0.440 local terms energy: -281.598000 where: bonds (distance) C4'-P energy: -44.730 bonds (distance) P-C4' energy: -64.467 flat angles C4'-P-C4' energy: -70.305 flat angles P-C4'-P energy: -43.868 tors. eta vs tors. theta energy: -58.228 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: 7, replica: 2 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -702.984729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -702.984729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -702.984729 (E_RNA) where: Base-Base interactions energy: -449.695 where: short stacking energy: -195.454 Base-Backbone interact. energy: 2.797 local terms energy: -256.085941 where: bonds (distance) C4'-P energy: -55.002 bonds (distance) P-C4' energy: -63.675 flat angles C4'-P-C4' energy: -70.514 flat angles P-C4'-P energy: -31.350 tors. eta vs tors. theta energy: -35.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -649.984993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -649.984993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -649.984993 (E_RNA) where: Base-Base interactions energy: -418.130 where: short stacking energy: -188.021 Base-Backbone interact. energy: 2.073 local terms energy: -233.927336 where: bonds (distance) C4'-P energy: -53.193 bonds (distance) P-C4' energy: -63.288 flat angles C4'-P-C4' energy: -50.521 flat angles P-C4'-P energy: -33.083 tors. eta vs tors. theta energy: -33.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -577.023604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.023604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.023604 (E_RNA) where: Base-Base interactions energy: -358.449 where: short stacking energy: -161.596 Base-Backbone interact. energy: -2.849 local terms energy: -215.725241 where: bonds (distance) C4'-P energy: -49.865 bonds (distance) P-C4' energy: -45.623 flat angles C4'-P-C4' energy: -63.564 flat angles P-C4'-P energy: -35.620 tors. eta vs tors. theta energy: -21.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -416.540854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -416.540854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -416.540854 (E_RNA) where: Base-Base interactions energy: -222.972 where: short stacking energy: -121.444 Base-Backbone interact. energy: 0.289 local terms energy: -193.857627 where: bonds (distance) C4'-P energy: -56.242 bonds (distance) P-C4' energy: -52.017 flat angles C4'-P-C4' energy: -47.857 flat angles P-C4'-P energy: -33.708 tors. eta vs tors. theta energy: -4.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -1168.935901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.935901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.935901 (E_RNA) where: Base-Base interactions energy: -818.025 where: short stacking energy: -335.227 Base-Backbone interact. energy: -3.368 local terms energy: -347.543232 where: bonds (distance) C4'-P energy: -60.430 bonds (distance) P-C4' energy: -59.891 flat angles C4'-P-C4' energy: -76.389 flat angles P-C4'-P energy: -44.700 tors. eta vs tors. theta energy: -106.134 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: 2, replica: 10 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -1152.194239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.194239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.194239 (E_RNA) where: Base-Base interactions energy: -821.174 where: short stacking energy: -328.199 Base-Backbone interact. energy: -2.359 local terms energy: -328.661088 where: bonds (distance) C4'-P energy: -54.667 bonds (distance) P-C4' energy: -61.785 flat angles C4'-P-C4' energy: -70.158 flat angles P-C4'-P energy: -45.272 tors. eta vs tors. theta energy: -96.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -1096.571155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1096.571155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1096.571155 (E_RNA) where: Base-Base interactions energy: -751.322 where: short stacking energy: -312.716 Base-Backbone interact. energy: -2.087 local terms energy: -343.162077 where: bonds (distance) C4'-P energy: -63.000 bonds (distance) P-C4' energy: -63.283 flat angles C4'-P-C4' energy: -76.408 flat angles P-C4'-P energy: -45.046 tors. eta vs tors. theta energy: -95.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -1012.465035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.465035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.465035 (E_RNA) where: Base-Base interactions energy: -692.178 where: short stacking energy: -301.725 Base-Backbone interact. energy: -0.355 local terms energy: -319.931338 where: bonds (distance) C4'-P energy: -56.116 bonds (distance) P-C4' energy: -67.226 flat angles C4'-P-C4' energy: -63.834 flat angles P-C4'-P energy: -45.225 tors. eta vs tors. theta energy: -87.529 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: 5 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -897.807330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.807330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.807330 (E_RNA) where: Base-Base interactions energy: -605.571 where: short stacking energy: -263.265 Base-Backbone interact. energy: -2.114 local terms energy: -290.123107 where: bonds (distance) C4'-P energy: -47.650 bonds (distance) P-C4' energy: -72.416 flat angles C4'-P-C4' energy: -61.796 flat angles P-C4'-P energy: -35.783 tors. eta vs tors. theta energy: -72.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -788.285441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.285441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.285441 (E_RNA) where: Base-Base interactions energy: -524.245 where: short stacking energy: -229.675 Base-Backbone interact. energy: -1.948 local terms energy: -262.092670 where: bonds (distance) C4'-P energy: -47.105 bonds (distance) P-C4' energy: -58.674 flat angles C4'-P-C4' energy: -66.576 flat angles P-C4'-P energy: -38.961 tors. eta vs tors. theta energy: -50.776 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: 2 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -698.865865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.865865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.865865 (E_RNA) where: Base-Base interactions energy: -447.031 where: short stacking energy: -201.638 Base-Backbone interact. energy: -3.389 local terms energy: -248.446010 where: bonds (distance) C4'-P energy: -52.293 bonds (distance) P-C4' energy: -51.461 flat angles C4'-P-C4' energy: -66.201 flat angles P-C4'-P energy: -45.446 tors. eta vs tors. theta energy: -33.045 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: 8, replica: 3 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -722.609341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.609341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.609341 (E_RNA) where: Base-Base interactions energy: -472.232 where: short stacking energy: -216.948 Base-Backbone interact. energy: -0.588 local terms energy: -249.789313 where: bonds (distance) C4'-P energy: -56.989 bonds (distance) P-C4' energy: -64.863 flat angles C4'-P-C4' energy: -47.939 flat angles P-C4'-P energy: -32.159 tors. eta vs tors. theta energy: -47.839 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: 9, replica: 4 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -559.526094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.526094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.526094 (E_RNA) where: Base-Base interactions energy: -344.062 where: short stacking energy: -157.374 Base-Backbone interact. energy: 0.402 local terms energy: -215.866627 where: bonds (distance) C4'-P energy: -52.270 bonds (distance) P-C4' energy: -59.566 flat angles C4'-P-C4' energy: -56.294 flat angles P-C4'-P energy: -34.130 tors. eta vs tors. theta energy: -13.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -438.035003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.035003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.035003 (E_RNA) where: Base-Base interactions energy: -253.561 where: short stacking energy: -122.772 Base-Backbone interact. energy: -1.721 local terms energy: -182.752385 where: bonds (distance) C4'-P energy: -54.621 bonds (distance) P-C4' energy: -59.940 flat angles C4'-P-C4' energy: -45.132 flat angles P-C4'-P energy: -12.309 tors. eta vs tors. theta energy: -10.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -1174.979502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.979502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.979502 (E_RNA) where: Base-Base interactions energy: -814.878 where: short stacking energy: -330.792 Base-Backbone interact. energy: -1.296 local terms energy: -358.805335 where: bonds (distance) C4'-P energy: -70.164 bonds (distance) P-C4' energy: -67.241 flat angles C4'-P-C4' energy: -75.156 flat angles P-C4'-P energy: -49.683 tors. eta vs tors. theta energy: -96.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -1146.349005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.349005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.349005 (E_RNA) where: Base-Base interactions energy: -786.980 where: short stacking energy: -336.448 Base-Backbone interact. energy: -2.933 local terms energy: -356.436716 where: bonds (distance) C4'-P energy: -70.077 bonds (distance) P-C4' energy: -65.178 flat angles C4'-P-C4' energy: -70.343 flat angles P-C4'-P energy: -45.388 tors. eta vs tors. theta energy: -105.450 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: 10 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -1135.382236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.382236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.382236 (E_RNA) where: Base-Base interactions energy: -794.420 where: short stacking energy: -320.125 Base-Backbone interact. energy: -5.156 local terms energy: -335.806712 where: bonds (distance) C4'-P energy: -55.031 bonds (distance) P-C4' energy: -66.007 flat angles C4'-P-C4' energy: -72.010 flat angles P-C4'-P energy: -45.152 tors. eta vs tors. theta energy: -97.607 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: 4, replica: 6 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -1034.733263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.733263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.733263 (E_RNA) where: Base-Base interactions energy: -710.648 where: short stacking energy: -324.234 Base-Backbone interact. energy: 1.374 local terms energy: -325.459128 where: bonds (distance) C4'-P energy: -54.816 bonds (distance) P-C4' energy: -52.267 flat angles C4'-P-C4' energy: -73.587 flat angles P-C4'-P energy: -47.360 tors. eta vs tors. theta energy: -97.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -905.009239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.009239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.009239 (E_RNA) where: Base-Base interactions energy: -614.694 where: short stacking energy: -256.678 Base-Backbone interact. energy: 1.403 local terms energy: -291.717878 where: bonds (distance) C4'-P energy: -55.983 bonds (distance) P-C4' energy: -51.416 flat angles C4'-P-C4' energy: -67.837 flat angles P-C4'-P energy: -42.615 tors. eta vs tors. theta energy: -73.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -840.465355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.465355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.465355 (E_RNA) where: Base-Base interactions energy: -535.500 where: short stacking energy: -225.482 Base-Backbone interact. energy: -2.663 local terms energy: -302.302834 where: bonds (distance) C4'-P energy: -57.441 bonds (distance) P-C4' energy: -66.209 flat angles C4'-P-C4' energy: -55.338 flat angles P-C4'-P energy: -51.679 tors. eta vs tors. theta energy: -71.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -692.705397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.705397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.705397 (E_RNA) where: Base-Base interactions energy: -439.177 where: short stacking energy: -200.676 Base-Backbone interact. energy: -1.576 local terms energy: -251.952986 where: bonds (distance) C4'-P energy: -58.630 bonds (distance) P-C4' energy: -62.503 flat angles C4'-P-C4' energy: -53.740 flat angles P-C4'-P energy: -37.230 tors. eta vs tors. theta energy: -39.851 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: 3 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -671.237055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.237055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.237055 (E_RNA) where: Base-Base interactions energy: -435.347 where: short stacking energy: -183.648 Base-Backbone interact. energy: -1.503 local terms energy: -234.386972 where: bonds (distance) C4'-P energy: -52.221 bonds (distance) P-C4' energy: -52.808 flat angles C4'-P-C4' energy: -57.173 flat angles P-C4'-P energy: -32.189 tors. eta vs tors. theta energy: -39.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -518.342370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -518.342370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -518.342370 (E_RNA) where: Base-Base interactions energy: -310.152 where: short stacking energy: -133.440 Base-Backbone interact. energy: -1.913 local terms energy: -206.277768 where: bonds (distance) C4'-P energy: -50.316 bonds (distance) P-C4' energy: -55.483 flat angles C4'-P-C4' energy: -46.297 flat angles P-C4'-P energy: -42.755 tors. eta vs tors. theta energy: -11.427 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: 7 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -469.157481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -469.157481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -469.157481 (E_RNA) where: Base-Base interactions energy: -254.473 where: short stacking energy: -112.899 Base-Backbone interact. energy: 0.432 local terms energy: -215.115742 where: bonds (distance) C4'-P energy: -64.667 bonds (distance) P-C4' energy: -59.807 flat angles C4'-P-C4' energy: -41.017 flat angles P-C4'-P energy: -31.207 tors. eta vs tors. theta energy: -18.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -1184.141695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.141695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.141695 (E_RNA) where: Base-Base interactions energy: -811.899 where: short stacking energy: -342.026 Base-Backbone interact. energy: -1.424 local terms energy: -370.818423 where: bonds (distance) C4'-P energy: -66.703 bonds (distance) P-C4' energy: -67.660 flat angles C4'-P-C4' energy: -78.602 flat angles P-C4'-P energy: -52.735 tors. eta vs tors. theta energy: -105.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -1148.158558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.158558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.158558 (E_RNA) where: Base-Base interactions energy: -793.901 where: short stacking energy: -343.244 Base-Backbone interact. energy: 0.187 local terms energy: -354.444586 where: bonds (distance) C4'-P energy: -68.389 bonds (distance) P-C4' energy: -69.095 flat angles C4'-P-C4' energy: -69.743 flat angles P-C4'-P energy: -46.836 tors. eta vs tors. theta energy: -100.382 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: 10 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -1123.673239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.673239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.673239 (E_RNA) where: Base-Base interactions energy: -802.513 where: short stacking energy: -315.024 Base-Backbone interact. energy: -2.067 local terms energy: -319.092740 where: bonds (distance) C4'-P energy: -59.275 bonds (distance) P-C4' energy: -58.450 flat angles C4'-P-C4' energy: -64.706 flat angles P-C4'-P energy: -41.690 tors. eta vs tors. theta energy: -94.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -1031.530316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.530316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.530316 (E_RNA) where: Base-Base interactions energy: -690.192 where: short stacking energy: -311.377 Base-Backbone interact. energy: -0.715 local terms energy: -340.623438 where: bonds (distance) C4'-P energy: -63.165 bonds (distance) P-C4' energy: -70.210 flat angles C4'-P-C4' energy: -75.557 flat angles P-C4'-P energy: -38.461 tors. eta vs tors. theta energy: -93.231 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: 5 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -874.655360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.655360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.655360 (E_RNA) where: Base-Base interactions energy: -572.489 where: short stacking energy: -239.794 Base-Backbone interact. energy: -0.914 local terms energy: -301.252408 where: bonds (distance) C4'-P energy: -73.045 bonds (distance) P-C4' energy: -55.303 flat angles C4'-P-C4' energy: -74.712 flat angles P-C4'-P energy: -39.551 tors. eta vs tors. theta energy: -58.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -797.111253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -797.111253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -797.111253 (E_RNA) where: Base-Base interactions energy: -520.931 where: short stacking energy: -244.785 Base-Backbone interact. energy: 0.692 local terms energy: -276.872266 where: bonds (distance) C4'-P energy: -53.324 bonds (distance) P-C4' energy: -60.829 flat angles C4'-P-C4' energy: -63.140 flat angles P-C4'-P energy: -40.515 tors. eta vs tors. theta energy: -59.063 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: 7, replica: 2 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -673.996626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -673.996626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -673.996626 (E_RNA) where: Base-Base interactions energy: -434.877 where: short stacking energy: -194.367 Base-Backbone interact. energy: -0.301 local terms energy: -238.818205 where: bonds (distance) C4'-P energy: -49.247 bonds (distance) P-C4' energy: -68.315 flat angles C4'-P-C4' energy: -47.754 flat angles P-C4'-P energy: -38.560 tors. eta vs tors. theta energy: -34.942 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: 3 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -718.191510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.191510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.191510 (E_RNA) where: Base-Base interactions energy: -462.544 where: short stacking energy: -202.356 Base-Backbone interact. energy: -2.110 local terms energy: -253.537620 where: bonds (distance) C4'-P energy: -46.030 bonds (distance) P-C4' energy: -62.542 flat angles C4'-P-C4' energy: -56.717 flat angles P-C4'-P energy: -42.730 tors. eta vs tors. theta energy: -45.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -520.052463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.052463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.052463 (E_RNA) where: Base-Base interactions energy: -337.714 where: short stacking energy: -159.904 Base-Backbone interact. energy: -0.032 local terms energy: -182.307065 where: bonds (distance) C4'-P energy: -37.579 bonds (distance) P-C4' energy: -55.293 flat angles C4'-P-C4' energy: -49.793 flat angles P-C4'-P energy: -26.435 tors. eta vs tors. theta energy: -13.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -417.940897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.940897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.940897 (E_RNA) where: Base-Base interactions energy: -211.377 where: short stacking energy: -109.873 Base-Backbone interact. energy: 2.323 local terms energy: -208.886602 where: bonds (distance) C4'-P energy: -58.215 bonds (distance) P-C4' energy: -60.322 flat angles C4'-P-C4' energy: -47.737 flat angles P-C4'-P energy: -33.213 tors. eta vs tors. theta energy: -9.400 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: 8 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -1185.819034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1185.819034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1185.819034 (E_RNA) where: Base-Base interactions energy: -832.144 where: short stacking energy: -327.777 Base-Backbone interact. energy: -1.874 local terms energy: -351.800871 where: bonds (distance) C4'-P energy: -61.260 bonds (distance) P-C4' energy: -71.340 flat angles C4'-P-C4' energy: -77.962 flat angles P-C4'-P energy: -44.091 tors. eta vs tors. theta energy: -97.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -1202.129338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.129338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.129338 (E_RNA) where: Base-Base interactions energy: -848.573 where: short stacking energy: -337.215 Base-Backbone interact. energy: -1.359 local terms energy: -352.197066 where: bonds (distance) C4'-P energy: -66.047 bonds (distance) P-C4' energy: -72.060 flat angles C4'-P-C4' energy: -69.121 flat angles P-C4'-P energy: -45.128 tors. eta vs tors. theta energy: -99.840 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: 377 Temperature: 1.000000 Total energy: -1137.937468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.937468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.937468 (E_RNA) where: Base-Base interactions energy: -805.483 where: short stacking energy: -331.280 Base-Backbone interact. energy: -2.244 local terms energy: -330.210897 where: bonds (distance) C4'-P energy: -63.140 bonds (distance) P-C4' energy: -63.697 flat angles C4'-P-C4' energy: -65.083 flat angles P-C4'-P energy: -38.079 tors. eta vs tors. theta energy: -100.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -1015.680607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.680607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.680607 (E_RNA) where: Base-Base interactions energy: -690.083 where: short stacking energy: -302.940 Base-Backbone interact. energy: -0.521 local terms energy: -325.075936 where: bonds (distance) C4'-P energy: -61.745 bonds (distance) P-C4' energy: -60.057 flat angles C4'-P-C4' energy: -73.582 flat angles P-C4'-P energy: -37.606 tors. eta vs tors. theta energy: -92.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -834.001780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.001780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.001780 (E_RNA) where: Base-Base interactions energy: -546.583 where: short stacking energy: -243.127 Base-Backbone interact. energy: -0.992 local terms energy: -286.426607 where: bonds (distance) C4'-P energy: -56.606 bonds (distance) P-C4' energy: -60.142 flat angles C4'-P-C4' energy: -59.869 flat angles P-C4'-P energy: -44.314 tors. eta vs tors. theta energy: -65.496 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: 1 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -831.855821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -831.855821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -831.855821 (E_RNA) where: Base-Base interactions energy: -563.254 where: short stacking energy: -248.949 Base-Backbone interact. energy: -1.065 local terms energy: -267.536508 where: bonds (distance) C4'-P energy: -49.600 bonds (distance) P-C4' energy: -62.894 flat angles C4'-P-C4' energy: -66.861 flat angles P-C4'-P energy: -23.871 tors. eta vs tors. theta energy: -64.310 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: 7, replica: 2 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -722.625815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.625815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.625815 (E_RNA) where: Base-Base interactions energy: -468.776 where: short stacking energy: -214.870 Base-Backbone interact. energy: -0.612 local terms energy: -253.238261 where: bonds (distance) C4'-P energy: -51.061 bonds (distance) P-C4' energy: -46.215 flat angles C4'-P-C4' energy: -62.356 flat angles P-C4'-P energy: -44.805 tors. eta vs tors. theta energy: -48.801 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: 3 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -680.576539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -680.576539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -680.576539 (E_RNA) where: Base-Base interactions energy: -447.063 where: short stacking energy: -185.128 Base-Backbone interact. energy: -1.246 local terms energy: -232.267705 where: bonds (distance) C4'-P energy: -53.658 bonds (distance) P-C4' energy: -56.154 flat angles C4'-P-C4' energy: -58.477 flat angles P-C4'-P energy: -33.019 tors. eta vs tors. theta energy: -30.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -549.003443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.003443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.003443 (E_RNA) where: Base-Base interactions energy: -340.525 where: short stacking energy: -158.362 Base-Backbone interact. energy: 2.403 local terms energy: -210.881121 where: bonds (distance) C4'-P energy: -50.737 bonds (distance) P-C4' energy: -41.444 flat angles C4'-P-C4' energy: -57.479 flat angles P-C4'-P energy: -37.286 tors. eta vs tors. theta energy: -23.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -433.911086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.911086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.911086 (E_RNA) where: Base-Base interactions energy: -249.426 where: short stacking energy: -115.975 Base-Backbone interact. energy: 1.738 local terms energy: -186.223165 where: bonds (distance) C4'-P energy: -55.403 bonds (distance) P-C4' energy: -48.924 flat angles C4'-P-C4' energy: -39.277 flat angles P-C4'-P energy: -35.115 tors. eta vs tors. theta energy: -7.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -1213.146464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1213.146464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1213.146464 (E_RNA) where: Base-Base interactions energy: -845.208 where: short stacking energy: -328.387 Base-Backbone interact. energy: -2.160 local terms energy: -365.778512 where: bonds (distance) C4'-P energy: -67.387 bonds (distance) P-C4' energy: -72.982 flat angles C4'-P-C4' energy: -78.564 flat angles P-C4'-P energy: -53.399 tors. eta vs tors. theta energy: -93.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -1175.987248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.987248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.987248 (E_RNA) where: Base-Base interactions energy: -803.550 where: short stacking energy: -337.228 Base-Backbone interact. energy: -1.485 local terms energy: -370.952375 where: bonds (distance) C4'-P energy: -67.417 bonds (distance) P-C4' energy: -69.282 flat angles C4'-P-C4' energy: -77.551 flat angles P-C4'-P energy: -50.488 tors. eta vs tors. theta energy: -106.213 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: 9 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -1103.221173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.221173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.221173 (E_RNA) where: Base-Base interactions energy: -760.155 where: short stacking energy: -308.807 Base-Backbone interact. energy: -2.086 local terms energy: -340.979801 where: bonds (distance) C4'-P energy: -49.053 bonds (distance) P-C4' energy: -61.452 flat angles C4'-P-C4' energy: -76.185 flat angles P-C4'-P energy: -58.550 tors. eta vs tors. theta energy: -95.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -1023.390980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.390980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.390980 (E_RNA) where: Base-Base interactions energy: -699.269 where: short stacking energy: -310.466 Base-Backbone interact. energy: -0.617 local terms energy: -323.505605 where: bonds (distance) C4'-P energy: -57.810 bonds (distance) P-C4' energy: -60.489 flat angles C4'-P-C4' energy: -71.326 flat angles P-C4'-P energy: -45.584 tors. eta vs tors. theta energy: -88.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -845.186496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -845.186496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -845.186496 (E_RNA) where: Base-Base interactions energy: -554.853 where: short stacking energy: -248.172 Base-Backbone interact. energy: -1.186 local terms energy: -289.147164 where: bonds (distance) C4'-P energy: -55.073 bonds (distance) P-C4' energy: -63.773 flat angles C4'-P-C4' energy: -69.050 flat angles P-C4'-P energy: -36.762 tors. eta vs tors. theta energy: -64.488 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: 5 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -823.392396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.392396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.392396 (E_RNA) where: Base-Base interactions energy: -541.674 where: short stacking energy: -228.114 Base-Backbone interact. energy: 4.401 local terms energy: -286.119055 where: bonds (distance) C4'-P energy: -62.725 bonds (distance) P-C4' energy: -56.819 flat angles C4'-P-C4' energy: -65.309 flat angles P-C4'-P energy: -41.831 tors. eta vs tors. theta energy: -59.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -735.217090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.217090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.217090 (E_RNA) where: Base-Base interactions energy: -462.195 where: short stacking energy: -219.533 Base-Backbone interact. energy: -0.249 local terms energy: -272.773556 where: bonds (distance) C4'-P energy: -55.405 bonds (distance) P-C4' energy: -65.206 flat angles C4'-P-C4' energy: -63.976 flat angles P-C4'-P energy: -41.487 tors. eta vs tors. theta energy: -46.699 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: 3 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -727.119647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.119647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.119647 (E_RNA) where: Base-Base interactions energy: -493.913 where: short stacking energy: -190.193 Base-Backbone interact. energy: 0.647 local terms energy: -233.853929 where: bonds (distance) C4'-P energy: -52.102 bonds (distance) P-C4' energy: -50.203 flat angles C4'-P-C4' energy: -43.806 flat angles P-C4'-P energy: -49.021 tors. eta vs tors. theta energy: -38.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -549.866644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.866644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.866644 (E_RNA) where: Base-Base interactions energy: -322.434 where: short stacking energy: -161.241 Base-Backbone interact. energy: -1.199 local terms energy: -226.233326 where: bonds (distance) C4'-P energy: -43.529 bonds (distance) P-C4' energy: -60.410 flat angles C4'-P-C4' energy: -52.949 flat angles P-C4'-P energy: -40.661 tors. eta vs tors. theta energy: -28.685 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: 7 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -408.114207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.114207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.114207 (E_RNA) where: Base-Base interactions energy: -215.483 where: short stacking energy: -119.393 Base-Backbone interact. energy: -1.812 local terms energy: -190.819475 where: bonds (distance) C4'-P energy: -43.286 bonds (distance) P-C4' energy: -51.123 flat angles C4'-P-C4' energy: -51.771 flat angles P-C4'-P energy: -24.077 tors. eta vs tors. theta energy: -20.562 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: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -1188.797963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.797963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.797963 (E_RNA) where: Base-Base interactions energy: -835.579 where: short stacking energy: -343.024 Base-Backbone interact. energy: -2.478 local terms energy: -350.741300 where: bonds (distance) C4'-P energy: -70.519 bonds (distance) P-C4' energy: -65.626 flat angles C4'-P-C4' energy: -70.278 flat angles P-C4'-P energy: -48.655 tors. eta vs tors. theta energy: -95.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -1169.879871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.879871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.879871 (E_RNA) where: Base-Base interactions energy: -825.936 where: short stacking energy: -335.777 Base-Backbone interact. energy: 0.396 local terms energy: -344.339731 where: bonds (distance) C4'-P energy: -59.431 bonds (distance) P-C4' energy: -55.910 flat angles C4'-P-C4' energy: -76.478 flat angles P-C4'-P energy: -47.362 tors. eta vs tors. theta energy: -105.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -1091.470994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.470994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.470994 (E_RNA) where: Base-Base interactions energy: -745.108 where: short stacking energy: -295.219 Base-Backbone interact. energy: -0.749 local terms energy: -345.614316 where: bonds (distance) C4'-P energy: -65.792 bonds (distance) P-C4' energy: -69.768 flat angles C4'-P-C4' energy: -72.479 flat angles P-C4'-P energy: -43.226 tors. eta vs tors. theta energy: -94.350 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: 6 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -1003.937540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.937540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.937540 (E_RNA) where: Base-Base interactions energy: -684.019 where: short stacking energy: -315.214 Base-Backbone interact. energy: -1.349 local terms energy: -318.569324 where: bonds (distance) C4'-P energy: -68.745 bonds (distance) P-C4' energy: -54.593 flat angles C4'-P-C4' energy: -58.190 flat angles P-C4'-P energy: -43.346 tors. eta vs tors. theta energy: -93.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -870.718246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.718246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.718246 (E_RNA) where: Base-Base interactions energy: -565.163 where: short stacking energy: -245.665 Base-Backbone interact. energy: -1.293 local terms energy: -304.261717 where: bonds (distance) C4'-P energy: -59.018 bonds (distance) P-C4' energy: -72.005 flat angles C4'-P-C4' energy: -64.227 flat angles P-C4'-P energy: -40.621 tors. eta vs tors. theta energy: -68.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -783.111799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -783.111799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -783.111799 (E_RNA) where: Base-Base interactions energy: -508.736 where: short stacking energy: -213.769 Base-Backbone interact. energy: 0.639 local terms energy: -275.014624 where: bonds (distance) C4'-P energy: -63.844 bonds (distance) P-C4' energy: -67.668 flat angles C4'-P-C4' energy: -52.835 flat angles P-C4'-P energy: -35.091 tors. eta vs tors. theta energy: -55.576 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: 379 Temperature: 1.200000 Total energy: -727.544730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.544730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.544730 (E_RNA) where: Base-Base interactions energy: -469.895 where: short stacking energy: -214.685 Base-Backbone interact. energy: -2.192 local terms energy: -255.457304 where: bonds (distance) C4'-P energy: -60.125 bonds (distance) P-C4' energy: -58.083 flat angles C4'-P-C4' energy: -48.200 flat angles P-C4'-P energy: -38.714 tors. eta vs tors. theta energy: -50.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -710.701552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -710.701552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -710.701552 (E_RNA) where: Base-Base interactions energy: -476.598 where: short stacking energy: -208.736 Base-Backbone interact. energy: 2.234 local terms energy: -236.336989 where: bonds (distance) C4'-P energy: -46.092 bonds (distance) P-C4' energy: -60.004 flat angles C4'-P-C4' energy: -54.087 flat angles P-C4'-P energy: -33.467 tors. eta vs tors. theta energy: -42.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -520.423166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.423166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.423166 (E_RNA) where: Base-Base interactions energy: -301.017 where: short stacking energy: -162.104 Base-Backbone interact. energy: -0.146 local terms energy: -219.260313 where: bonds (distance) C4'-P energy: -50.585 bonds (distance) P-C4' energy: -53.551 flat angles C4'-P-C4' energy: -59.294 flat angles P-C4'-P energy: -35.117 tors. eta vs tors. theta energy: -20.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -406.345837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.345837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.345837 (E_RNA) where: Base-Base interactions energy: -199.218 where: short stacking energy: -108.570 Base-Backbone interact. energy: -1.007 local terms energy: -206.121064 where: bonds (distance) C4'-P energy: -47.176 bonds (distance) P-C4' energy: -60.179 flat angles C4'-P-C4' energy: -53.256 flat angles P-C4'-P energy: -33.833 tors. eta vs tors. theta energy: -11.677 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: 8 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -1181.694277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1181.694277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1181.694277 (E_RNA) where: Base-Base interactions energy: -826.814 where: short stacking energy: -340.496 Base-Backbone interact. energy: -2.613 local terms energy: -352.267713 where: bonds (distance) C4'-P energy: -61.937 bonds (distance) P-C4' energy: -68.995 flat angles C4'-P-C4' energy: -72.448 flat angles P-C4'-P energy: -46.453 tors. eta vs tors. theta energy: -102.435 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: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -1151.172358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1151.172358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1151.172358 (E_RNA) where: Base-Base interactions energy: -808.147 where: short stacking energy: -329.500 Base-Backbone interact. energy: -3.083 local terms energy: -339.942165 where: bonds (distance) C4'-P energy: -65.809 bonds (distance) P-C4' energy: -61.141 flat angles C4'-P-C4' energy: -72.619 flat angles P-C4'-P energy: -45.247 tors. eta vs tors. theta energy: -95.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -1086.927001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1086.927001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1086.927001 (E_RNA) where: Base-Base interactions energy: -756.250 where: short stacking energy: -331.210 Base-Backbone interact. energy: 4.135 local terms energy: -334.811511 where: bonds (distance) C4'-P energy: -55.013 bonds (distance) P-C4' energy: -70.821 flat angles C4'-P-C4' energy: -69.878 flat angles P-C4'-P energy: -40.540 tors. eta vs tors. theta energy: -98.560 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: 6 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -1010.255018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.255018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.255018 (E_RNA) where: Base-Base interactions energy: -695.452 where: short stacking energy: -312.765 Base-Backbone interact. energy: -0.970 local terms energy: -313.832522 where: bonds (distance) C4'-P energy: -58.669 bonds (distance) P-C4' energy: -54.878 flat angles C4'-P-C4' energy: -67.112 flat angles P-C4'-P energy: -42.766 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: 5, replica: 5 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -857.755194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.755194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.755194 (E_RNA) where: Base-Base interactions energy: -558.120 where: short stacking energy: -254.792 Base-Backbone interact. energy: -2.289 local terms energy: -297.346318 where: bonds (distance) C4'-P energy: -56.592 bonds (distance) P-C4' energy: -55.641 flat angles C4'-P-C4' energy: -71.502 flat angles P-C4'-P energy: -40.864 tors. eta vs tors. theta energy: -72.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -840.966627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.966627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.966627 (E_RNA) where: Base-Base interactions energy: -550.411 where: short stacking energy: -238.007 Base-Backbone interact. energy: 1.414 local terms energy: -291.969653 where: bonds (distance) C4'-P energy: -59.561 bonds (distance) P-C4' energy: -68.415 flat angles C4'-P-C4' energy: -69.736 flat angles P-C4'-P energy: -33.627 tors. eta vs tors. theta energy: -60.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -751.050041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -751.050041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -751.050041 (E_RNA) where: Base-Base interactions energy: -486.280 where: short stacking energy: -230.742 Base-Backbone interact. energy: 1.986 local terms energy: -266.755638 where: bonds (distance) C4'-P energy: -65.470 bonds (distance) P-C4' energy: -55.181 flat angles C4'-P-C4' energy: -60.433 flat angles P-C4'-P energy: -34.443 tors. eta vs tors. theta energy: -51.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -688.081193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.081193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.081193 (E_RNA) where: Base-Base interactions energy: -464.126 where: short stacking energy: -207.580 Base-Backbone interact. energy: -0.778 local terms energy: -223.176733 where: bonds (distance) C4'-P energy: -56.225 bonds (distance) P-C4' energy: -44.186 flat angles C4'-P-C4' energy: -59.119 flat angles P-C4'-P energy: -31.218 tors. eta vs tors. theta energy: -32.429 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: 380 Temperature: 1.300000 Total energy: -502.905907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.905907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.905907 (E_RNA) where: Base-Base interactions energy: -300.685 where: short stacking energy: -171.576 Base-Backbone interact. energy: 0.245 local terms energy: -202.466514 where: bonds (distance) C4'-P energy: -45.267 bonds (distance) P-C4' energy: -57.258 flat angles C4'-P-C4' energy: -52.795 flat angles P-C4'-P energy: -27.550 tors. eta vs tors. theta energy: -19.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -403.202160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.202160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.202160 (E_RNA) where: Base-Base interactions energy: -214.723 where: short stacking energy: -114.559 Base-Backbone interact. energy: -1.151 local terms energy: -187.328505 where: bonds (distance) C4'-P energy: -58.968 bonds (distance) P-C4' energy: -49.130 flat angles C4'-P-C4' energy: -50.092 flat angles P-C4'-P energy: -17.548 tors. eta vs tors. theta energy: -11.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -1175.430786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1175.430786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1175.430786 (E_RNA) where: Base-Base interactions energy: -811.734 where: short stacking energy: -329.717 Base-Backbone interact. energy: -2.044 local terms energy: -361.652543 where: bonds (distance) C4'-P energy: -61.546 bonds (distance) P-C4' energy: -68.973 flat angles C4'-P-C4' energy: -77.549 flat angles P-C4'-P energy: -48.783 tors. eta vs tors. theta energy: -104.802 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: 10 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -1160.443246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.443246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.443246 (E_RNA) where: Base-Base interactions energy: -800.044 where: short stacking energy: -306.963 Base-Backbone interact. energy: -4.389 local terms energy: -356.011099 where: bonds (distance) C4'-P energy: -67.317 bonds (distance) P-C4' energy: -72.474 flat angles C4'-P-C4' energy: -67.648 flat angles P-C4'-P energy: -57.850 tors. eta vs tors. theta energy: -90.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -1078.496086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1078.496086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1078.496086 (E_RNA) where: Base-Base interactions energy: -758.555 where: short stacking energy: -312.289 Base-Backbone interact. energy: -0.003 local terms energy: -319.938847 where: bonds (distance) C4'-P energy: -54.934 bonds (distance) P-C4' energy: -64.711 flat angles C4'-P-C4' energy: -71.189 flat angles P-C4'-P energy: -43.797 tors. eta vs tors. theta energy: -85.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 381 Temperature: 1.050000 Total energy: -1029.783571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1029.783571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1029.783571 (E_RNA) where: Base-Base interactions energy: -704.810 where: short stacking energy: -313.345 Base-Backbone interact. energy: -2.248 local terms energy: -322.725347 where: bonds (distance) C4'-P energy: -59.223 bonds (distance) P-C4' energy: -55.306 flat angles C4'-P-C4' energy: -73.153 flat angles P-C4'-P energy: -42.105 tors. eta vs tors. theta energy: -92.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -852.946431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.946431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.946431 (E_RNA) where: Base-Base interactions energy: -557.849 where: short stacking energy: -232.720 Base-Backbone interact. energy: -0.388 local terms energy: -294.709782 where: bonds (distance) C4'-P energy: -62.627 bonds (distance) P-C4' energy: -72.145 flat angles C4'-P-C4' energy: -59.985 flat angles P-C4'-P energy: -44.182 tors. eta vs tors. theta energy: -55.771 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: 1 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -825.265972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -825.265972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -825.265972 (E_RNA) where: Base-Base interactions energy: -554.760 where: short stacking energy: -225.134 Base-Backbone interact. energy: -0.208 local terms energy: -270.298241 where: bonds (distance) C4'-P energy: -63.901 bonds (distance) P-C4' energy: -37.337 flat angles C4'-P-C4' energy: -72.791 flat angles P-C4'-P energy: -39.993 tors. eta vs tors. theta energy: -56.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -694.801125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.801125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.801125 (E_RNA) where: Base-Base interactions energy: -433.163 where: short stacking energy: -192.212 Base-Backbone interact. energy: 1.413 local terms energy: -263.050813 where: bonds (distance) C4'-P energy: -60.281 bonds (distance) P-C4' energy: -60.719 flat angles C4'-P-C4' energy: -59.117 flat angles P-C4'-P energy: -39.386 tors. eta vs tors. theta energy: -43.547 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: 8, replica: 3 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -694.953607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.953607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.953607 (E_RNA) where: Base-Base interactions energy: -458.688 where: short stacking energy: -191.751 Base-Backbone interact. energy: -2.093 local terms energy: -234.172156 where: bonds (distance) C4'-P energy: -59.504 bonds (distance) P-C4' energy: -51.769 flat angles C4'-P-C4' energy: -54.438 flat angles P-C4'-P energy: -27.386 tors. eta vs tors. theta energy: -41.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -507.926782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -507.926782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -507.926782 (E_RNA) where: Base-Base interactions energy: -295.967 where: short stacking energy: -157.663 Base-Backbone interact. energy: -1.680 local terms energy: -210.280263 where: bonds (distance) C4'-P energy: -50.993 bonds (distance) P-C4' energy: -57.147 flat angles C4'-P-C4' energy: -52.600 flat angles P-C4'-P energy: -33.237 tors. eta vs tors. theta energy: -16.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -466.629132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -466.629132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -466.629132 (E_RNA) where: Base-Base interactions energy: -257.331 where: short stacking energy: -146.997 Base-Backbone interact. energy: 7.583 local terms energy: -216.881205 where: bonds (distance) C4'-P energy: -61.271 bonds (distance) P-C4' energy: -51.580 flat angles C4'-P-C4' energy: -53.549 flat angles P-C4'-P energy: -30.267 tors. eta vs tors. theta energy: -20.215 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: 8 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -1195.625323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.625323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.625323 (E_RNA) where: Base-Base interactions energy: -829.215 where: short stacking energy: -334.634 Base-Backbone interact. energy: -2.648 local terms energy: -363.761849 where: bonds (distance) C4'-P energy: -63.788 bonds (distance) P-C4' energy: -65.664 flat angles C4'-P-C4' energy: -76.096 flat angles P-C4'-P energy: -56.897 tors. eta vs tors. theta energy: -101.317 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: 10 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -1150.128637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.128637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.128637 (E_RNA) where: Base-Base interactions energy: -814.689 where: short stacking energy: -315.878 Base-Backbone interact. energy: -2.207 local terms energy: -333.232292 where: bonds (distance) C4'-P energy: -65.149 bonds (distance) P-C4' energy: -62.839 flat angles C4'-P-C4' energy: -66.950 flat angles P-C4'-P energy: -44.665 tors. eta vs tors. theta energy: -93.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -1139.384842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.384842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.384842 (E_RNA) where: Base-Base interactions energy: -787.025 where: short stacking energy: -317.345 Base-Backbone interact. energy: -3.754 local terms energy: -348.605105 where: bonds (distance) C4'-P energy: -64.200 bonds (distance) P-C4' energy: -64.905 flat angles C4'-P-C4' energy: -72.019 flat angles P-C4'-P energy: -50.925 tors. eta vs tors. theta energy: -96.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -1006.136802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.136802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.136802 (E_RNA) where: Base-Base interactions energy: -683.024 where: short stacking energy: -302.272 Base-Backbone interact. energy: -1.046 local terms energy: -322.066851 where: bonds (distance) C4'-P energy: -56.010 bonds (distance) P-C4' energy: -60.522 flat angles C4'-P-C4' energy: -68.760 flat angles P-C4'-P energy: -48.535 tors. eta vs tors. theta energy: -88.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -873.230569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.230569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.230569 (E_RNA) where: Base-Base interactions energy: -573.971 where: short stacking energy: -242.845 Base-Backbone interact. energy: 1.935 local terms energy: -301.194700 where: bonds (distance) C4'-P energy: -62.486 bonds (distance) P-C4' energy: -71.515 flat angles C4'-P-C4' energy: -59.090 flat angles P-C4'-P energy: -42.577 tors. eta vs tors. theta energy: -65.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -803.648602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -803.648602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -803.648602 (E_RNA) where: Base-Base interactions energy: -558.417 where: short stacking energy: -249.596 Base-Backbone interact. energy: -2.372 local terms energy: -242.858955 where: bonds (distance) C4'-P energy: -49.909 bonds (distance) P-C4' energy: -54.388 flat angles C4'-P-C4' energy: -53.327 flat angles P-C4'-P energy: -25.628 tors. eta vs tors. theta energy: -59.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -704.485044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.485044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.485044 (E_RNA) where: Base-Base interactions energy: -468.898 where: short stacking energy: -201.815 Base-Backbone interact. energy: -0.373 local terms energy: -235.214209 where: bonds (distance) C4'-P energy: -53.598 bonds (distance) P-C4' energy: -42.373 flat angles C4'-P-C4' energy: -61.853 flat angles P-C4'-P energy: -35.235 tors. eta vs tors. theta energy: -42.156 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: 382 Temperature: 1.250000 Total energy: -691.566228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.566228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.566228 (E_RNA) where: Base-Base interactions energy: -446.835 where: short stacking energy: -194.466 Base-Backbone interact. energy: 0.325 local terms energy: -245.056295 where: bonds (distance) C4'-P energy: -61.178 bonds (distance) P-C4' energy: -54.420 flat angles C4'-P-C4' energy: -49.747 flat angles P-C4'-P energy: -32.448 tors. eta vs tors. theta energy: -47.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -502.321319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -502.321319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -502.321319 (E_RNA) where: Base-Base interactions energy: -295.397 where: short stacking energy: -141.731 Base-Backbone interact. energy: 1.016 local terms energy: -207.940419 where: bonds (distance) C4'-P energy: -63.510 bonds (distance) P-C4' energy: -51.730 flat angles C4'-P-C4' energy: -48.526 flat angles P-C4'-P energy: -30.193 tors. eta vs tors. theta energy: -13.982 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: 7 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -428.609131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.609131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.609131 (E_RNA) where: Base-Base interactions energy: -231.697 where: short stacking energy: -133.244 Base-Backbone interact. energy: -0.471 local terms energy: -196.441260 where: bonds (distance) C4'-P energy: -41.470 bonds (distance) P-C4' energy: -55.070 flat angles C4'-P-C4' energy: -53.712 flat angles P-C4'-P energy: -18.913 tors. eta vs tors. theta energy: -27.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -1197.322043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.322043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.322043 (E_RNA) where: Base-Base interactions energy: -832.727 where: short stacking energy: -326.996 Base-Backbone interact. energy: -1.223 local terms energy: -363.372029 where: bonds (distance) C4'-P energy: -64.867 bonds (distance) P-C4' energy: -64.100 flat angles C4'-P-C4' energy: -75.298 flat angles P-C4'-P energy: -58.049 tors. eta vs tors. theta energy: -101.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -1144.850594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.850594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.850594 (E_RNA) where: Base-Base interactions energy: -801.884 where: short stacking energy: -330.493 Base-Backbone interact. energy: -1.862 local terms energy: -341.104524 where: bonds (distance) C4'-P energy: -58.665 bonds (distance) P-C4' energy: -69.820 flat angles C4'-P-C4' energy: -71.856 flat angles P-C4'-P energy: -43.503 tors. eta vs tors. theta energy: -97.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -1116.027786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1116.027786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1116.027786 (E_RNA) where: Base-Base interactions energy: -796.083 where: short stacking energy: -309.305 Base-Backbone interact. energy: -2.711 local terms energy: -317.233625 where: bonds (distance) C4'-P energy: -58.650 bonds (distance) P-C4' energy: -58.527 flat angles C4'-P-C4' energy: -67.539 flat angles P-C4'-P energy: -42.380 tors. eta vs tors. theta energy: -90.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -1030.102049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1030.102049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1030.102049 (E_RNA) where: Base-Base interactions energy: -694.335 where: short stacking energy: -296.123 Base-Backbone interact. energy: -0.506 local terms energy: -335.261390 where: bonds (distance) C4'-P energy: -63.152 bonds (distance) P-C4' energy: -70.298 flat angles C4'-P-C4' energy: -71.983 flat angles P-C4'-P energy: -38.419 tors. eta vs tors. theta energy: -91.410 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: 1 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -884.146292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.146292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.146292 (E_RNA) where: Base-Base interactions energy: -588.918 where: short stacking energy: -264.457 Base-Backbone interact. energy: -1.118 local terms energy: -294.110160 where: bonds (distance) C4'-P energy: -53.307 bonds (distance) P-C4' energy: -64.930 flat angles C4'-P-C4' energy: -70.087 flat angles P-C4'-P energy: -34.409 tors. eta vs tors. theta energy: -71.378 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: 6, replica: 5 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -788.569434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -788.569434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -788.569434 (E_RNA) where: Base-Base interactions energy: -525.910 where: short stacking energy: -226.584 Base-Backbone interact. energy: -2.310 local terms energy: -260.349148 where: bonds (distance) C4'-P energy: -55.374 bonds (distance) P-C4' energy: -49.776 flat angles C4'-P-C4' energy: -62.130 flat angles P-C4'-P energy: -41.055 tors. eta vs tors. theta energy: -52.014 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: 383 Temperature: 1.200000 Total energy: -748.248312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.248312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.248312 (E_RNA) where: Base-Base interactions energy: -471.362 where: short stacking energy: -229.861 Base-Backbone interact. energy: 0.414 local terms energy: -277.300451 where: bonds (distance) C4'-P energy: -64.236 bonds (distance) P-C4' energy: -60.991 flat angles C4'-P-C4' energy: -56.397 flat angles P-C4'-P energy: -44.539 tors. eta vs tors. theta energy: -51.137 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: 8, replica: 2 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -677.792039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -677.792039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -677.792039 (E_RNA) where: Base-Base interactions energy: -422.810 where: short stacking energy: -176.120 Base-Backbone interact. energy: 1.972 local terms energy: -256.954396 where: bonds (distance) C4'-P energy: -46.825 bonds (distance) P-C4' energy: -59.175 flat angles C4'-P-C4' energy: -61.033 flat angles P-C4'-P energy: -45.343 tors. eta vs tors. theta energy: -44.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -543.710280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.710280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.710280 (E_RNA) where: Base-Base interactions energy: -334.971 where: short stacking energy: -160.298 Base-Backbone interact. energy: -2.876 local terms energy: -205.863824 where: bonds (distance) C4'-P energy: -43.137 bonds (distance) P-C4' energy: -58.914 flat angles C4'-P-C4' energy: -53.305 flat angles P-C4'-P energy: -31.608 tors. eta vs tors. theta energy: -18.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -412.203667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -412.203667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -412.203667 (E_RNA) where: Base-Base interactions energy: -228.670 where: short stacking energy: -114.591 Base-Backbone interact. energy: 0.322 local terms energy: -183.855198 where: bonds (distance) C4'-P energy: -45.528 bonds (distance) P-C4' energy: -51.362 flat angles C4'-P-C4' energy: -57.132 flat angles P-C4'-P energy: -22.894 tors. eta vs tors. theta energy: -6.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -1210.813307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.813307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.813307 (E_RNA) where: Base-Base interactions energy: -860.584 where: short stacking energy: -345.003 Base-Backbone interact. energy: 0.580 local terms energy: -350.809364 where: bonds (distance) C4'-P energy: -60.388 bonds (distance) P-C4' energy: -64.412 flat angles C4'-P-C4' energy: -70.314 flat angles P-C4'-P energy: -50.267 tors. eta vs tors. theta energy: -105.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -1139.733751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.733751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.733751 (E_RNA) where: Base-Base interactions energy: -812.636 where: short stacking energy: -341.574 Base-Backbone interact. energy: -2.417 local terms energy: -324.680445 where: bonds (distance) C4'-P energy: -61.581 bonds (distance) P-C4' energy: -61.422 flat angles C4'-P-C4' energy: -65.066 flat angles P-C4'-P energy: -44.744 tors. eta vs tors. theta energy: -91.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -1114.929424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.929424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.929424 (E_RNA) where: Base-Base interactions energy: -767.145 where: short stacking energy: -294.340 Base-Backbone interact. energy: 1.035 local terms energy: -348.819765 where: bonds (distance) C4'-P energy: -64.350 bonds (distance) P-C4' energy: -62.963 flat angles C4'-P-C4' energy: -79.412 flat angles P-C4'-P energy: -48.290 tors. eta vs tors. theta energy: -93.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -1013.249766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.249766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.249766 (E_RNA) where: Base-Base interactions energy: -685.167 where: short stacking energy: -291.066 Base-Backbone interact. energy: -1.102 local terms energy: -326.980807 where: bonds (distance) C4'-P energy: -65.130 bonds (distance) P-C4' energy: -57.788 flat angles C4'-P-C4' energy: -66.313 flat angles P-C4'-P energy: -44.860 tors. eta vs tors. theta energy: -92.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -844.376695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.376695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.376695 (E_RNA) where: Base-Base interactions energy: -561.107 where: short stacking energy: -251.892 Base-Backbone interact. energy: 1.390 local terms energy: -284.659617 where: bonds (distance) C4'-P energy: -57.902 bonds (distance) P-C4' energy: -65.389 flat angles C4'-P-C4' energy: -62.301 flat angles P-C4'-P energy: -38.088 tors. eta vs tors. theta energy: -60.979 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: 5 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -772.210125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.210125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.210125 (E_RNA) where: Base-Base interactions energy: -515.705 where: short stacking energy: -208.802 Base-Backbone interact. energy: 0.609 local terms energy: -257.113991 where: bonds (distance) C4'-P energy: -55.864 bonds (distance) P-C4' energy: -53.573 flat angles C4'-P-C4' energy: -65.845 flat angles P-C4'-P energy: -37.275 tors. eta vs tors. theta energy: -44.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -708.061992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.061992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.061992 (E_RNA) where: Base-Base interactions energy: -449.712 where: short stacking energy: -186.888 Base-Backbone interact. energy: 0.833 local terms energy: -259.183732 where: bonds (distance) C4'-P energy: -55.145 bonds (distance) P-C4' energy: -67.724 flat angles C4'-P-C4' energy: -50.989 flat angles P-C4'-P energy: -45.720 tors. eta vs tors. theta energy: -39.606 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: 3 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -714.932474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -714.932474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -714.932474 (E_RNA) where: Base-Base interactions energy: -461.005 where: short stacking energy: -187.326 Base-Backbone interact. energy: -0.271 local terms energy: -253.656264 where: bonds (distance) C4'-P energy: -48.367 bonds (distance) P-C4' energy: -61.833 flat angles C4'-P-C4' energy: -53.326 flat angles P-C4'-P energy: -45.549 tors. eta vs tors. theta energy: -44.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -541.345118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.345118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.345118 (E_RNA) where: Base-Base interactions energy: -336.395 where: short stacking energy: -160.870 Base-Backbone interact. energy: -2.191 local terms energy: -202.758985 where: bonds (distance) C4'-P energy: -36.704 bonds (distance) P-C4' energy: -53.206 flat angles C4'-P-C4' energy: -60.490 flat angles P-C4'-P energy: -34.003 tors. eta vs tors. theta energy: -18.357 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: 7 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -399.736738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.736738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.736738 (E_RNA) where: Base-Base interactions energy: -221.761 where: short stacking energy: -122.252 Base-Backbone interact. energy: 0.753 local terms energy: -178.728603 where: bonds (distance) C4'-P energy: -44.677 bonds (distance) P-C4' energy: -51.061 flat angles C4'-P-C4' energy: -36.800 flat angles P-C4'-P energy: -37.266 tors. eta vs tors. theta energy: -8.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -1204.540602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.540602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.540602 (E_RNA) where: Base-Base interactions energy: -838.820 where: short stacking energy: -340.112 Base-Backbone interact. energy: -1.605 local terms energy: -364.115412 where: bonds (distance) C4'-P energy: -68.941 bonds (distance) P-C4' energy: -64.654 flat angles C4'-P-C4' energy: -75.684 flat angles P-C4'-P energy: -50.151 tors. eta vs tors. theta energy: -104.685 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: 9 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -1130.500520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.500520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.500520 (E_RNA) where: Base-Base interactions energy: -795.752 where: short stacking energy: -317.784 Base-Backbone interact. energy: -2.303 local terms energy: -332.444750 where: bonds (distance) C4'-P energy: -58.226 bonds (distance) P-C4' energy: -66.905 flat angles C4'-P-C4' energy: -62.747 flat angles P-C4'-P energy: -50.368 tors. eta vs tors. theta energy: -94.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -1117.169488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.169488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.169488 (E_RNA) where: Base-Base interactions energy: -779.600 where: short stacking energy: -308.396 Base-Backbone interact. energy: -3.514 local terms energy: -334.055679 where: bonds (distance) C4'-P energy: -56.501 bonds (distance) P-C4' energy: -71.152 flat angles C4'-P-C4' energy: -67.743 flat angles P-C4'-P energy: -45.167 tors. eta vs tors. theta energy: -93.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -1024.130378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.130378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.130378 (E_RNA) where: Base-Base interactions energy: -692.173 where: short stacking energy: -323.141 Base-Backbone interact. energy: -1.388 local terms energy: -330.569372 where: bonds (distance) C4'-P energy: -55.150 bonds (distance) P-C4' energy: -62.062 flat angles C4'-P-C4' energy: -74.223 flat angles P-C4'-P energy: -51.550 tors. eta vs tors. theta energy: -87.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 385 Temperature: 1.100000 Total energy: -861.951464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.951464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.951464 (E_RNA) where: Base-Base interactions energy: -560.160 where: short stacking energy: -240.177 Base-Backbone interact. energy: -0.104 local terms energy: -301.687230 where: bonds (distance) C4'-P energy: -65.516 bonds (distance) P-C4' energy: -68.954 flat angles C4'-P-C4' energy: -65.671 flat angles P-C4'-P energy: -39.803 tors. eta vs tors. theta energy: -61.743 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: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -763.788825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -763.788825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -763.788825 (E_RNA) where: Base-Base interactions energy: -508.567 where: short stacking energy: -230.062 Base-Backbone interact. energy: 0.221 local terms energy: -255.442892 where: bonds (distance) C4'-P energy: -53.839 bonds (distance) P-C4' energy: -61.919 flat angles C4'-P-C4' energy: -56.724 flat angles P-C4'-P energy: -39.436 tors. eta vs tors. theta energy: -43.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -721.202142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.202142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.202142 (E_RNA) where: Base-Base interactions energy: -493.191 where: short stacking energy: -216.804 Base-Backbone interact. energy: -1.141 local terms energy: -226.870291 where: bonds (distance) C4'-P energy: -34.155 bonds (distance) P-C4' energy: -54.822 flat angles C4'-P-C4' energy: -56.880 flat angles P-C4'-P energy: -32.499 tors. eta vs tors. theta energy: -48.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -688.217991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.217991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.217991 (E_RNA) where: Base-Base interactions energy: -444.756 where: short stacking energy: -187.385 Base-Backbone interact. energy: 0.206 local terms energy: -243.668653 where: bonds (distance) C4'-P energy: -54.095 bonds (distance) P-C4' energy: -53.380 flat angles C4'-P-C4' energy: -56.550 flat angles P-C4'-P energy: -43.563 tors. eta vs tors. theta energy: -36.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -561.595929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -561.595929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -561.595929 (E_RNA) where: Base-Base interactions energy: -348.774 where: short stacking energy: -161.098 Base-Backbone interact. energy: -0.034 local terms energy: -212.787116 where: bonds (distance) C4'-P energy: -50.268 bonds (distance) P-C4' energy: -55.877 flat angles C4'-P-C4' energy: -52.034 flat angles P-C4'-P energy: -40.831 tors. eta vs tors. theta energy: -13.777 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: 7 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -442.594094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.594094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.594094 (E_RNA) where: Base-Base interactions energy: -239.877 where: short stacking energy: -112.978 Base-Backbone interact. energy: -0.561 local terms energy: -202.155924 where: bonds (distance) C4'-P energy: -47.819 bonds (distance) P-C4' energy: -61.191 flat angles C4'-P-C4' energy: -44.115 flat angles P-C4'-P energy: -40.739 tors. eta vs tors. theta energy: -8.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -1203.340609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.340609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.340609 (E_RNA) where: Base-Base interactions energy: -846.458 where: short stacking energy: -337.521 Base-Backbone interact. energy: -3.431 local terms energy: -353.451808 where: bonds (distance) C4'-P energy: -64.351 bonds (distance) P-C4' energy: -63.199 flat angles C4'-P-C4' energy: -74.452 flat angles P-C4'-P energy: -50.529 tors. eta vs tors. theta energy: -100.921 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: 2, replica: 9 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -1138.163883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.163883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.163883 (E_RNA) where: Base-Base interactions energy: -805.290 where: short stacking energy: -327.852 Base-Backbone interact. energy: -0.565 local terms energy: -332.308664 where: bonds (distance) C4'-P energy: -54.179 bonds (distance) P-C4' energy: -63.884 flat angles C4'-P-C4' energy: -70.573 flat angles P-C4'-P energy: -46.934 tors. eta vs tors. theta energy: -96.739 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: 10 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -1109.314210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.314210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.314210 (E_RNA) where: Base-Base interactions energy: -764.900 where: short stacking energy: -299.109 Base-Backbone interact. energy: -0.424 local terms energy: -343.989631 where: bonds (distance) C4'-P energy: -63.832 bonds (distance) P-C4' energy: -63.987 flat angles C4'-P-C4' energy: -71.799 flat angles P-C4'-P energy: -53.083 tors. eta vs tors. theta energy: -91.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -1002.912432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.912432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.912432 (E_RNA) where: Base-Base interactions energy: -662.966 where: short stacking energy: -295.025 Base-Backbone interact. energy: -0.842 local terms energy: -339.104128 where: bonds (distance) C4'-P energy: -60.693 bonds (distance) P-C4' energy: -63.825 flat angles C4'-P-C4' energy: -72.432 flat angles P-C4'-P energy: -52.386 tors. eta vs tors. theta energy: -89.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -850.482485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.482485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.482485 (E_RNA) where: Base-Base interactions energy: -550.830 where: short stacking energy: -260.014 Base-Backbone interact. energy: -1.648 local terms energy: -298.004978 where: bonds (distance) C4'-P energy: -57.140 bonds (distance) P-C4' energy: -67.368 flat angles C4'-P-C4' energy: -67.617 flat angles P-C4'-P energy: -44.496 tors. eta vs tors. theta energy: -61.384 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: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -773.842810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.842810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.842810 (E_RNA) where: Base-Base interactions energy: -508.226 where: short stacking energy: -201.987 Base-Backbone interact. energy: 2.262 local terms energy: -267.878954 where: bonds (distance) C4'-P energy: -58.957 bonds (distance) P-C4' energy: -69.590 flat angles C4'-P-C4' energy: -58.359 flat angles P-C4'-P energy: -45.440 tors. eta vs tors. theta energy: -35.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -686.736691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -686.736691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -686.736691 (E_RNA) where: Base-Base interactions energy: -452.014 where: short stacking energy: -206.152 Base-Backbone interact. energy: 2.162 local terms energy: -236.885428 where: bonds (distance) C4'-P energy: -53.342 bonds (distance) P-C4' energy: -57.146 flat angles C4'-P-C4' energy: -50.386 flat angles P-C4'-P energy: -34.392 tors. eta vs tors. theta energy: -41.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -676.394628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.394628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.394628 (E_RNA) where: Base-Base interactions energy: -442.239 where: short stacking energy: -186.166 Base-Backbone interact. energy: 1.347 local terms energy: -235.503313 where: bonds (distance) C4'-P energy: -43.985 bonds (distance) P-C4' energy: -62.690 flat angles C4'-P-C4' energy: -62.207 flat angles P-C4'-P energy: -31.534 tors. eta vs tors. theta energy: -35.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -556.703868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -556.703868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -556.703868 (E_RNA) where: Base-Base interactions energy: -333.357 where: short stacking energy: -167.039 Base-Backbone interact. energy: -1.623 local terms energy: -221.723763 where: bonds (distance) C4'-P energy: -61.136 bonds (distance) P-C4' energy: -56.579 flat angles C4'-P-C4' energy: -56.607 flat angles P-C4'-P energy: -26.177 tors. eta vs tors. theta energy: -21.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -401.837531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.837531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.837531 (E_RNA) where: Base-Base interactions energy: -213.311 where: short stacking energy: -117.941 Base-Backbone interact. energy: 3.226 local terms energy: -191.752510 where: bonds (distance) C4'-P energy: -45.704 bonds (distance) P-C4' energy: -58.830 flat angles C4'-P-C4' energy: -46.675 flat angles P-C4'-P energy: -28.192 tors. eta vs tors. theta energy: -12.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -1217.442024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.442024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.442024 (E_RNA) where: Base-Base interactions energy: -867.236 where: short stacking energy: -345.263 Base-Backbone interact. energy: -0.612 local terms energy: -349.594147 where: bonds (distance) C4'-P energy: -65.291 bonds (distance) P-C4' energy: -60.821 flat angles C4'-P-C4' energy: -72.725 flat angles P-C4'-P energy: -50.690 tors. eta vs tors. theta energy: -100.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -1142.624002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.624002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.624002 (E_RNA) where: Base-Base interactions energy: -801.669 where: short stacking energy: -338.922 Base-Backbone interact. energy: -0.645 local terms energy: -340.309774 where: bonds (distance) C4'-P energy: -71.711 bonds (distance) P-C4' energy: -58.620 flat angles C4'-P-C4' energy: -65.187 flat angles P-C4'-P energy: -41.589 tors. eta vs tors. theta energy: -103.203 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: 10 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -1089.710555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1089.710555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1089.710555 (E_RNA) where: Base-Base interactions energy: -756.594 where: short stacking energy: -296.828 Base-Backbone interact. energy: -2.946 local terms energy: -330.169861 where: bonds (distance) C4'-P energy: -53.759 bonds (distance) P-C4' energy: -65.913 flat angles C4'-P-C4' energy: -70.637 flat angles P-C4'-P energy: -48.391 tors. eta vs tors. theta energy: -91.470 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: 6 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -1001.665604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.665604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.665604 (E_RNA) where: Base-Base interactions energy: -676.444 where: short stacking energy: -312.941 Base-Backbone interact. energy: -0.271 local terms energy: -324.950825 where: bonds (distance) C4'-P energy: -63.358 bonds (distance) P-C4' energy: -53.881 flat angles C4'-P-C4' energy: -67.786 flat angles P-C4'-P energy: -50.342 tors. eta vs tors. theta energy: -89.584 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: 1 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -857.555675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.555675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.555675 (E_RNA) where: Base-Base interactions energy: -567.401 where: short stacking energy: -254.205 Base-Backbone interact. energy: 1.173 local terms energy: -291.327713 where: bonds (distance) C4'-P energy: -50.653 bonds (distance) P-C4' energy: -59.259 flat angles C4'-P-C4' energy: -73.695 flat angles P-C4'-P energy: -44.518 tors. eta vs tors. theta energy: -63.202 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: 3 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -727.493603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.493603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.493603 (E_RNA) where: Base-Base interactions energy: -477.308 where: short stacking energy: -198.733 Base-Backbone interact. energy: 1.643 local terms energy: -251.828442 where: bonds (distance) C4'-P energy: -50.991 bonds (distance) P-C4' energy: -59.809 flat angles C4'-P-C4' energy: -56.073 flat angles P-C4'-P energy: -43.454 tors. eta vs tors. theta energy: -41.501 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: 7, replica: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -735.802957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -735.802957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -735.802957 (E_RNA) where: Base-Base interactions energy: -479.363 where: short stacking energy: -215.701 Base-Backbone interact. energy: 1.555 local terms energy: -257.995281 where: bonds (distance) C4'-P energy: -45.873 bonds (distance) P-C4' energy: -58.592 flat angles C4'-P-C4' energy: -56.468 flat angles P-C4'-P energy: -43.940 tors. eta vs tors. theta energy: -53.121 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: 387 Temperature: 1.250000 Total energy: -619.783481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -619.783481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -619.783481 (E_RNA) where: Base-Base interactions energy: -391.706 where: short stacking energy: -186.959 Base-Backbone interact. energy: -0.727 local terms energy: -227.350786 where: bonds (distance) C4'-P energy: -53.885 bonds (distance) P-C4' energy: -37.563 flat angles C4'-P-C4' energy: -61.391 flat angles P-C4'-P energy: -35.138 tors. eta vs tors. theta energy: -39.374 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: 4 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -590.555864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -590.555864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -590.555864 (E_RNA) where: Base-Base interactions energy: -357.644 where: short stacking energy: -172.091 Base-Backbone interact. energy: -1.662 local terms energy: -231.249227 where: bonds (distance) C4'-P energy: -47.280 bonds (distance) P-C4' energy: -57.551 flat angles C4'-P-C4' energy: -55.853 flat angles P-C4'-P energy: -31.733 tors. eta vs tors. theta energy: -38.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -441.729235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -441.729235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -441.729235 (E_RNA) where: Base-Base interactions energy: -237.331 where: short stacking energy: -129.511 Base-Backbone interact. energy: -1.717 local terms energy: -202.681260 where: bonds (distance) C4'-P energy: -34.934 bonds (distance) P-C4' energy: -58.910 flat angles C4'-P-C4' energy: -57.805 flat angles P-C4'-P energy: -32.987 tors. eta vs tors. theta energy: -18.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -1203.880918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.880918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.880918 (E_RNA) where: Base-Base interactions energy: -865.624 where: short stacking energy: -318.505 Base-Backbone interact. energy: -4.838 local terms energy: -333.419089 where: bonds (distance) C4'-P energy: -66.616 bonds (distance) P-C4' energy: -62.570 flat angles C4'-P-C4' energy: -66.564 flat angles P-C4'-P energy: -38.395 tors. eta vs tors. theta energy: -99.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -1139.185155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.185155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.185155 (E_RNA) where: Base-Base interactions energy: -793.055 where: short stacking energy: -325.798 Base-Backbone interact. energy: 0.642 local terms energy: -346.772301 where: bonds (distance) C4'-P energy: -66.400 bonds (distance) P-C4' energy: -66.998 flat angles C4'-P-C4' energy: -71.720 flat angles P-C4'-P energy: -38.746 tors. eta vs tors. theta energy: -102.908 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: 10 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -1110.902896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.902896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.902896 (E_RNA) where: Base-Base interactions energy: -781.100 where: short stacking energy: -305.427 Base-Backbone interact. energy: 1.560 local terms energy: -331.362867 where: bonds (distance) C4'-P energy: -60.937 bonds (distance) P-C4' energy: -65.062 flat angles C4'-P-C4' energy: -65.773 flat angles P-C4'-P energy: -49.395 tors. eta vs tors. theta energy: -90.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -993.480477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.480477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.480477 (E_RNA) where: Base-Base interactions energy: -679.830 where: short stacking energy: -301.928 Base-Backbone interact. energy: -0.724 local terms energy: -312.925772 where: bonds (distance) C4'-P energy: -49.002 bonds (distance) P-C4' energy: -65.547 flat angles C4'-P-C4' energy: -68.211 flat angles P-C4'-P energy: -45.840 tors. eta vs tors. theta energy: -84.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -861.420191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.420191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.420191 (E_RNA) where: Base-Base interactions energy: -562.568 where: short stacking energy: -245.062 Base-Backbone interact. energy: 0.300 local terms energy: -299.152102 where: bonds (distance) C4'-P energy: -57.244 bonds (distance) P-C4' energy: -65.926 flat angles C4'-P-C4' energy: -73.260 flat angles P-C4'-P energy: -41.875 tors. eta vs tors. theta energy: -60.847 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: 3 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -813.116163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.116163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.116163 (E_RNA) where: Base-Base interactions energy: -546.378 where: short stacking energy: -221.156 Base-Backbone interact. energy: -3.705 local terms energy: -263.032806 where: bonds (distance) C4'-P energy: -53.218 bonds (distance) P-C4' energy: -49.514 flat angles C4'-P-C4' energy: -70.685 flat angles P-C4'-P energy: -35.236 tors. eta vs tors. theta energy: -54.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -713.199633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.199633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.199633 (E_RNA) where: Base-Base interactions energy: -477.910 where: short stacking energy: -181.908 Base-Backbone interact. energy: 0.180 local terms energy: -235.469767 where: bonds (distance) C4'-P energy: -45.980 bonds (distance) P-C4' energy: -68.222 flat angles C4'-P-C4' energy: -54.921 flat angles P-C4'-P energy: -33.800 tors. eta vs tors. theta energy: -32.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -650.957469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.957469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.957469 (E_RNA) where: Base-Base interactions energy: -416.509 where: short stacking energy: -175.298 Base-Backbone interact. energy: 0.957 local terms energy: -235.404628 where: bonds (distance) C4'-P energy: -51.855 bonds (distance) P-C4' energy: -59.658 flat angles C4'-P-C4' energy: -63.535 flat angles P-C4'-P energy: -25.379 tors. eta vs tors. theta energy: -34.977 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: 388 Temperature: 1.300000 Total energy: -560.863137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -560.863137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -560.863137 (E_RNA) where: Base-Base interactions energy: -343.589 where: short stacking energy: -169.759 Base-Backbone interact. energy: -0.360 local terms energy: -216.913687 where: bonds (distance) C4'-P energy: -42.891 bonds (distance) P-C4' energy: -51.259 flat angles C4'-P-C4' energy: -57.983 flat angles P-C4'-P energy: -33.889 tors. eta vs tors. theta energy: -30.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -388.361599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -388.361599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -388.361599 (E_RNA) where: Base-Base interactions energy: -193.122 where: short stacking energy: -98.424 Base-Backbone interact. energy: -0.734 local terms energy: -194.505620 where: bonds (distance) C4'-P energy: -52.760 bonds (distance) P-C4' energy: -65.919 flat angles C4'-P-C4' energy: -51.527 flat angles P-C4'-P energy: -26.063 tors. eta vs tors. theta energy: 1.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -1177.276603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1177.276603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1177.276603 (E_RNA) where: Base-Base interactions energy: -834.163 where: short stacking energy: -334.150 Base-Backbone interact. energy: -1.431 local terms energy: -341.682894 where: bonds (distance) C4'-P energy: -64.475 bonds (distance) P-C4' energy: -68.255 flat angles C4'-P-C4' energy: -69.608 flat angles P-C4'-P energy: -46.192 tors. eta vs tors. theta energy: -93.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -1164.012905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1164.012905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1164.012905 (E_RNA) where: Base-Base interactions energy: -820.199 where: short stacking energy: -332.597 Base-Backbone interact. energy: -0.977 local terms energy: -342.836597 where: bonds (distance) C4'-P energy: -52.570 bonds (distance) P-C4' energy: -63.342 flat angles C4'-P-C4' energy: -72.866 flat angles P-C4'-P energy: -54.151 tors. eta vs tors. theta energy: -99.907 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: 3, replica: 10 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -1104.315170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.315170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.315170 (E_RNA) where: Base-Base interactions energy: -767.969 where: short stacking energy: -300.377 Base-Backbone interact. energy: -3.471 local terms energy: -332.874924 where: bonds (distance) C4'-P energy: -68.352 bonds (distance) P-C4' energy: -64.000 flat angles C4'-P-C4' energy: -78.643 flat angles P-C4'-P energy: -42.346 tors. eta vs tors. theta energy: -79.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -1008.410402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.410402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.410402 (E_RNA) where: Base-Base interactions energy: -682.531 where: short stacking energy: -300.024 Base-Backbone interact. energy: -0.819 local terms energy: -325.060510 where: bonds (distance) C4'-P energy: -67.104 bonds (distance) P-C4' energy: -62.299 flat angles C4'-P-C4' energy: -67.682 flat angles P-C4'-P energy: -42.272 tors. eta vs tors. theta energy: -85.703 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: 5, replica: 1 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -870.186087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.186087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.186087 (E_RNA) where: Base-Base interactions energy: -596.985 where: short stacking energy: -243.751 Base-Backbone interact. energy: 0.202 local terms energy: -273.403556 where: bonds (distance) C4'-P energy: -51.213 bonds (distance) P-C4' energy: -54.160 flat angles C4'-P-C4' energy: -54.795 flat angles P-C4'-P energy: -50.312 tors. eta vs tors. theta energy: -62.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -736.257638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -736.257638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -736.257638 (E_RNA) where: Base-Base interactions energy: -471.296 where: short stacking energy: -218.425 Base-Backbone interact. energy: -0.889 local terms energy: -264.073474 where: bonds (distance) C4'-P energy: -57.551 bonds (distance) P-C4' energy: -54.247 flat angles C4'-P-C4' energy: -63.781 flat angles P-C4'-P energy: -29.940 tors. eta vs tors. theta energy: -58.555 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: 389 Temperature: 1.200000 Total energy: -756.020862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.020862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.020862 (E_RNA) where: Base-Base interactions energy: -490.528 where: short stacking energy: -225.268 Base-Backbone interact. energy: -1.764 local terms energy: -263.728618 where: bonds (distance) C4'-P energy: -57.306 bonds (distance) P-C4' energy: -59.231 flat angles C4'-P-C4' energy: -57.565 flat angles P-C4'-P energy: -33.333 tors. eta vs tors. theta energy: -56.294 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: 2 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -621.987526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -621.987526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -621.987526 (E_RNA) where: Base-Base interactions energy: -381.788 where: short stacking energy: -168.183 Base-Backbone interact. energy: 1.147 local terms energy: -241.346376 where: bonds (distance) C4'-P energy: -60.176 bonds (distance) P-C4' energy: -52.333 flat angles C4'-P-C4' energy: -58.543 flat angles P-C4'-P energy: -40.311 tors. eta vs tors. theta energy: -29.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -549.799845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.799845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.799845 (E_RNA) where: Base-Base interactions energy: -330.792 where: short stacking energy: -166.547 Base-Backbone interact. energy: 0.671 local terms energy: -219.678774 where: bonds (distance) C4'-P energy: -45.288 bonds (distance) P-C4' energy: -63.319 flat angles C4'-P-C4' energy: -57.528 flat angles P-C4'-P energy: -24.946 tors. eta vs tors. theta energy: -28.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -401.269149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.269149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.269149 (E_RNA) where: Base-Base interactions energy: -196.651 where: short stacking energy: -107.560 Base-Backbone interact. energy: -2.363 local terms energy: -202.255011 where: bonds (distance) C4'-P energy: -50.921 bonds (distance) P-C4' energy: -58.546 flat angles C4'-P-C4' energy: -61.966 flat angles P-C4'-P energy: -23.208 tors. eta vs tors. theta energy: -7.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -1206.905537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.905537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.905537 (E_RNA) where: Base-Base interactions energy: -841.149 where: short stacking energy: -346.467 Base-Backbone interact. energy: -3.064 local terms energy: -362.693062 where: bonds (distance) C4'-P energy: -56.836 bonds (distance) P-C4' energy: -71.500 flat angles C4'-P-C4' energy: -74.687 flat angles P-C4'-P energy: -53.654 tors. eta vs tors. theta energy: -106.016 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: 9 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -1169.043735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1169.043735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1169.043735 (E_RNA) where: Base-Base interactions energy: -818.550 where: short stacking energy: -322.929 Base-Backbone interact. energy: 0.882 local terms energy: -351.375551 where: bonds (distance) C4'-P energy: -62.574 bonds (distance) P-C4' energy: -73.948 flat angles C4'-P-C4' energy: -69.199 flat angles P-C4'-P energy: -50.710 tors. eta vs tors. theta energy: -94.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -1102.987428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.987428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.987428 (E_RNA) where: Base-Base interactions energy: -760.227 where: short stacking energy: -304.985 Base-Backbone interact. energy: -2.463 local terms energy: -340.297069 where: bonds (distance) C4'-P energy: -72.847 bonds (distance) P-C4' energy: -70.460 flat angles C4'-P-C4' energy: -78.018 flat angles P-C4'-P energy: -40.631 tors. eta vs tors. theta energy: -78.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -1005.341029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.341029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.341029 (E_RNA) where: Base-Base interactions energy: -665.891 where: short stacking energy: -308.019 Base-Backbone interact. energy: 0.244 local terms energy: -339.693573 where: bonds (distance) C4'-P energy: -61.766 bonds (distance) P-C4' energy: -59.268 flat angles C4'-P-C4' energy: -71.755 flat angles P-C4'-P energy: -52.256 tors. eta vs tors. theta energy: -94.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -873.759468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.759468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.759468 (E_RNA) where: Base-Base interactions energy: -588.169 where: short stacking energy: -250.479 Base-Backbone interact. energy: -0.352 local terms energy: -285.238430 where: bonds (distance) C4'-P energy: -61.675 bonds (distance) P-C4' energy: -59.612 flat angles C4'-P-C4' energy: -66.358 flat angles P-C4'-P energy: -42.079 tors. eta vs tors. theta energy: -55.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -732.912771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.912771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.912771 (E_RNA) where: Base-Base interactions energy: -459.528 where: short stacking energy: -211.996 Base-Backbone interact. energy: 0.518 local terms energy: -273.902761 where: bonds (distance) C4'-P energy: -64.351 bonds (distance) P-C4' energy: -63.518 flat angles C4'-P-C4' energy: -53.503 flat angles P-C4'-P energy: -41.023 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: 7, replica: 3 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -752.660182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.660182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.660182 (E_RNA) where: Base-Base interactions energy: -499.312 where: short stacking energy: -220.346 Base-Backbone interact. energy: -4.742 local terms energy: -248.606334 where: bonds (distance) C4'-P energy: -52.388 bonds (distance) P-C4' energy: -49.350 flat angles C4'-P-C4' energy: -56.498 flat angles P-C4'-P energy: -38.339 tors. eta vs tors. theta energy: -52.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -628.988144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.988144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.988144 (E_RNA) where: Base-Base interactions energy: -383.417 where: short stacking energy: -174.755 Base-Backbone interact. energy: -1.951 local terms energy: -243.619552 where: bonds (distance) C4'-P energy: -57.299 bonds (distance) P-C4' energy: -66.538 flat angles C4'-P-C4' energy: -50.340 flat angles P-C4'-P energy: -38.809 tors. eta vs tors. theta energy: -30.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -572.620993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.620993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.620993 (E_RNA) where: Base-Base interactions energy: -353.472 where: short stacking energy: -162.760 Base-Backbone interact. energy: -1.201 local terms energy: -217.947129 where: bonds (distance) C4'-P energy: -55.583 bonds (distance) P-C4' energy: -59.968 flat angles C4'-P-C4' energy: -37.884 flat angles P-C4'-P energy: -34.602 tors. eta vs tors. theta energy: -29.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -403.922312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -403.922312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -403.922312 (E_RNA) where: Base-Base interactions energy: -232.047 where: short stacking energy: -122.440 Base-Backbone interact. energy: 0.670 local terms energy: -172.544904 where: bonds (distance) C4'-P energy: -58.742 bonds (distance) P-C4' energy: -52.433 flat angles C4'-P-C4' energy: -37.757 flat angles P-C4'-P energy: -25.592 tors. eta vs tors. theta energy: 1.979 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -1217.087671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1217.087671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1217.087671 (E_RNA) where: Base-Base interactions energy: -852.141 where: short stacking energy: -337.579 Base-Backbone interact. energy: -2.140 local terms energy: -362.806203 where: bonds (distance) C4'-P energy: -65.014 bonds (distance) P-C4' energy: -70.287 flat angles C4'-P-C4' energy: -75.536 flat angles P-C4'-P energy: -54.474 tors. eta vs tors. theta energy: -97.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -1131.392441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1131.392441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1131.392441 (E_RNA) where: Base-Base interactions energy: -811.856 where: short stacking energy: -336.316 Base-Backbone interact. energy: 0.108 local terms energy: -319.644775 where: bonds (distance) C4'-P energy: -45.362 bonds (distance) P-C4' energy: -58.875 flat angles C4'-P-C4' energy: -77.737 flat angles P-C4'-P energy: -43.770 tors. eta vs tors. theta energy: -93.901 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: 10 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -1080.564397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1080.564397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1080.564397 (E_RNA) where: Base-Base interactions energy: -765.862 where: short stacking energy: -315.623 Base-Backbone interact. energy: -2.068 local terms energy: -312.634854 where: bonds (distance) C4'-P energy: -55.207 bonds (distance) P-C4' energy: -58.731 flat angles C4'-P-C4' energy: -68.771 flat angles P-C4'-P energy: -45.002 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: 4, replica: 6 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -996.005837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.005837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.005837 (E_RNA) where: Base-Base interactions energy: -671.140 where: short stacking energy: -312.945 Base-Backbone interact. energy: 0.706 local terms energy: -325.571174 where: bonds (distance) C4'-P energy: -62.221 bonds (distance) P-C4' energy: -66.303 flat angles C4'-P-C4' energy: -66.487 flat angles P-C4'-P energy: -37.359 tors. eta vs tors. theta energy: -93.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -874.560338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.560338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.560338 (E_RNA) where: Base-Base interactions energy: -579.108 where: short stacking energy: -256.886 Base-Backbone interact. energy: -3.280 local terms energy: -292.172049 where: bonds (distance) C4'-P energy: -57.232 bonds (distance) P-C4' energy: -67.939 flat angles C4'-P-C4' energy: -65.894 flat angles P-C4'-P energy: -39.356 tors. eta vs tors. theta energy: -61.751 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: 3 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -774.716120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.716120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.716120 (E_RNA) where: Base-Base interactions energy: -511.380 where: short stacking energy: -228.769 Base-Backbone interact. energy: 1.170 local terms energy: -264.506416 where: bonds (distance) C4'-P energy: -51.929 bonds (distance) P-C4' energy: -63.973 flat angles C4'-P-C4' energy: -60.933 flat angles P-C4'-P energy: -40.553 tors. eta vs tors. theta energy: -47.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -731.131644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.131644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.131644 (E_RNA) where: Base-Base interactions energy: -483.958 where: short stacking energy: -190.329 Base-Backbone interact. energy: -2.456 local terms energy: -244.717587 where: bonds (distance) C4'-P energy: -50.027 bonds (distance) P-C4' energy: -61.546 flat angles C4'-P-C4' energy: -62.521 flat angles P-C4'-P energy: -36.422 tors. eta vs tors. theta energy: -34.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -586.031584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.031584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.031584 (E_RNA) where: Base-Base interactions energy: -349.657 where: short stacking energy: -178.142 Base-Backbone interact. energy: -2.150 local terms energy: -234.224157 where: bonds (distance) C4'-P energy: -55.506 bonds (distance) P-C4' energy: -65.303 flat angles C4'-P-C4' energy: -59.755 flat angles P-C4'-P energy: -25.711 tors. eta vs tors. theta energy: -27.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -592.298001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -592.298001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -592.298001 (E_RNA) where: Base-Base interactions energy: -372.495 where: short stacking energy: -170.785 Base-Backbone interact. energy: 2.412 local terms energy: -222.214792 where: bonds (distance) C4'-P energy: -49.856 bonds (distance) P-C4' energy: -42.497 flat angles C4'-P-C4' energy: -58.541 flat angles P-C4'-P energy: -36.930 tors. eta vs tors. theta energy: -34.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -407.932285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.932285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.932285 (E_RNA) where: Base-Base interactions energy: -226.834 where: short stacking energy: -122.174 Base-Backbone interact. energy: -0.989 local terms energy: -180.108874 where: bonds (distance) C4'-P energy: -48.929 bonds (distance) P-C4' energy: -58.693 flat angles C4'-P-C4' energy: -46.581 flat angles P-C4'-P energy: -19.861 tors. eta vs tors. theta energy: -6.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -1198.494223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.494223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.494223 (E_RNA) where: Base-Base interactions energy: -839.917 where: short stacking energy: -333.811 Base-Backbone interact. energy: -1.181 local terms energy: -357.396711 where: bonds (distance) C4'-P energy: -66.983 bonds (distance) P-C4' energy: -58.197 flat angles C4'-P-C4' energy: -72.677 flat angles P-C4'-P energy: -58.092 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: 2, replica: 9 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -1143.149577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.149577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.149577 (E_RNA) where: Base-Base interactions energy: -806.973 where: short stacking energy: -327.011 Base-Backbone interact. energy: 1.044 local terms energy: -337.220495 where: bonds (distance) C4'-P energy: -53.516 bonds (distance) P-C4' energy: -69.688 flat angles C4'-P-C4' energy: -73.679 flat angles P-C4'-P energy: -41.616 tors. eta vs tors. theta energy: -98.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -1101.578096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.578096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.578096 (E_RNA) where: Base-Base interactions energy: -791.270 where: short stacking energy: -321.751 Base-Backbone interact. energy: 0.540 local terms energy: -310.847926 where: bonds (distance) C4'-P energy: -53.737 bonds (distance) P-C4' energy: -61.561 flat angles C4'-P-C4' energy: -67.629 flat angles P-C4'-P energy: -44.252 tors. eta vs tors. theta energy: -83.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -1002.836218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.836218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.836218 (E_RNA) where: Base-Base interactions energy: -668.889 where: short stacking energy: -311.166 Base-Backbone interact. energy: -1.139 local terms energy: -332.808448 where: bonds (distance) C4'-P energy: -59.026 bonds (distance) P-C4' energy: -62.062 flat angles C4'-P-C4' energy: -68.369 flat angles P-C4'-P energy: -51.024 tors. eta vs tors. theta energy: -92.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -879.128914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -879.128914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -879.128914 (E_RNA) where: Base-Base interactions energy: -607.642 where: short stacking energy: -253.930 Base-Backbone interact. energy: -1.556 local terms energy: -269.930848 where: bonds (distance) C4'-P energy: -50.380 bonds (distance) P-C4' energy: -40.714 flat angles C4'-P-C4' energy: -64.155 flat angles P-C4'-P energy: -45.794 tors. eta vs tors. theta energy: -68.888 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: 392 Temperature: 1.150000 Total energy: -748.534559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.534559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.534559 (E_RNA) where: Base-Base interactions energy: -478.619 where: short stacking energy: -222.927 Base-Backbone interact. energy: -0.101 local terms energy: -269.814266 where: bonds (distance) C4'-P energy: -57.103 bonds (distance) P-C4' energy: -53.662 flat angles C4'-P-C4' energy: -62.383 flat angles P-C4'-P energy: -46.016 tors. eta vs tors. theta energy: -50.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -690.999945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.999945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.999945 (E_RNA) where: Base-Base interactions energy: -426.541 where: short stacking energy: -185.647 Base-Backbone interact. energy: 0.559 local terms energy: -265.017929 where: bonds (distance) C4'-P energy: -62.282 bonds (distance) P-C4' energy: -61.943 flat angles C4'-P-C4' energy: -66.906 flat angles P-C4'-P energy: -38.544 tors. eta vs tors. theta energy: -35.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -566.330983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.330983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.330983 (E_RNA) where: Base-Base interactions energy: -328.810 where: short stacking energy: -181.468 Base-Backbone interact. energy: 1.121 local terms energy: -238.641561 where: bonds (distance) C4'-P energy: -65.252 bonds (distance) P-C4' energy: -50.998 flat angles C4'-P-C4' energy: -56.429 flat angles P-C4'-P energy: -32.053 tors. eta vs tors. theta energy: -33.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -607.905264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.905264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.905264 (E_RNA) where: Base-Base interactions energy: -384.132 where: short stacking energy: -182.244 Base-Backbone interact. energy: -1.135 local terms energy: -222.637354 where: bonds (distance) C4'-P energy: -54.068 bonds (distance) P-C4' energy: -42.977 flat angles C4'-P-C4' energy: -55.007 flat angles P-C4'-P energy: -42.156 tors. eta vs tors. theta energy: -28.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -421.422584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.422584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.422584 (E_RNA) where: Base-Base interactions energy: -236.836 where: short stacking energy: -114.573 Base-Backbone interact. energy: -2.401 local terms energy: -182.184710 where: bonds (distance) C4'-P energy: -48.636 bonds (distance) P-C4' energy: -54.900 flat angles C4'-P-C4' energy: -45.874 flat angles P-C4'-P energy: -32.828 tors. eta vs tors. theta energy: 0.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -1180.280295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.280295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.280295 (E_RNA) where: Base-Base interactions energy: -828.737 where: short stacking energy: -326.711 Base-Backbone interact. energy: -3.646 local terms energy: -347.897910 where: bonds (distance) C4'-P energy: -70.693 bonds (distance) P-C4' energy: -61.530 flat angles C4'-P-C4' energy: -72.286 flat angles P-C4'-P energy: -46.509 tors. eta vs tors. theta energy: -96.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -1138.714095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.714095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.714095 (E_RNA) where: Base-Base interactions energy: -814.387 where: short stacking energy: -328.144 Base-Backbone interact. energy: 0.401 local terms energy: -324.728383 where: bonds (distance) C4'-P energy: -51.913 bonds (distance) P-C4' energy: -64.278 flat angles C4'-P-C4' energy: -71.551 flat angles P-C4'-P energy: -46.396 tors. eta vs tors. theta energy: -90.590 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: 3, replica: 9 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -1109.804735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.804735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.804735 (E_RNA) where: Base-Base interactions energy: -781.082 where: short stacking energy: -304.358 Base-Backbone interact. energy: -3.104 local terms energy: -325.618362 where: bonds (distance) C4'-P energy: -63.123 bonds (distance) P-C4' energy: -66.065 flat angles C4'-P-C4' energy: -69.896 flat angles P-C4'-P energy: -41.728 tors. eta vs tors. theta energy: -84.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -1006.483070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1006.483070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1006.483070 (E_RNA) where: Base-Base interactions energy: -663.924 where: short stacking energy: -317.675 Base-Backbone interact. energy: -0.374 local terms energy: -342.185349 where: bonds (distance) C4'-P energy: -61.535 bonds (distance) P-C4' energy: -65.725 flat angles C4'-P-C4' energy: -74.713 flat angles P-C4'-P energy: -54.329 tors. eta vs tors. theta energy: -85.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -885.643379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.643379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.643379 (E_RNA) where: Base-Base interactions energy: -597.595 where: short stacking energy: -244.779 Base-Backbone interact. energy: 4.934 local terms energy: -292.981874 where: bonds (distance) C4'-P energy: -57.945 bonds (distance) P-C4' energy: -53.408 flat angles C4'-P-C4' energy: -71.686 flat angles P-C4'-P energy: -47.591 tors. eta vs tors. theta energy: -62.352 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: 6, replica: 5 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -727.179775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -727.179775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -727.179775 (E_RNA) where: Base-Base interactions energy: -462.320 where: short stacking energy: -217.458 Base-Backbone interact. energy: 0.733 local terms energy: -265.592606 where: bonds (distance) C4'-P energy: -61.505 bonds (distance) P-C4' energy: -62.321 flat angles C4'-P-C4' energy: -65.726 flat angles P-C4'-P energy: -29.555 tors. eta vs tors. theta energy: -46.485 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: 7, replica: 3 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -694.079462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.079462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.079462 (E_RNA) where: Base-Base interactions energy: -458.669 where: short stacking energy: -200.356 Base-Backbone interact. energy: -2.477 local terms energy: -232.934326 where: bonds (distance) C4'-P energy: -46.967 bonds (distance) P-C4' energy: -54.641 flat angles C4'-P-C4' energy: -55.526 flat angles P-C4'-P energy: -40.635 tors. eta vs tors. theta energy: -35.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -637.286624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -637.286624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -637.286624 (E_RNA) where: Base-Base interactions energy: -404.720 where: short stacking energy: -179.704 Base-Backbone interact. energy: -0.233 local terms energy: -232.333890 where: bonds (distance) C4'-P energy: -60.060 bonds (distance) P-C4' energy: -53.601 flat angles C4'-P-C4' energy: -43.962 flat angles P-C4'-P energy: -41.398 tors. eta vs tors. theta energy: -33.313 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: 4 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -551.444505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.444505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.444505 (E_RNA) where: Base-Base interactions energy: -316.608 where: short stacking energy: -153.046 Base-Backbone interact. energy: 0.265 local terms energy: -235.101388 where: bonds (distance) C4'-P energy: -52.557 bonds (distance) P-C4' energy: -57.416 flat angles C4'-P-C4' energy: -63.202 flat angles P-C4'-P energy: -34.806 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: 7 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -427.742071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.742071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.742071 (E_RNA) where: Base-Base interactions energy: -246.343 where: short stacking energy: -116.477 Base-Backbone interact. energy: 1.219 local terms energy: -182.617905 where: bonds (distance) C4'-P energy: -37.408 bonds (distance) P-C4' energy: -45.055 flat angles C4'-P-C4' energy: -60.567 flat angles P-C4'-P energy: -30.711 tors. eta vs tors. theta energy: -8.876 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: 8 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -1188.878369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.878369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.878369 (E_RNA) where: Base-Base interactions energy: -822.379 where: short stacking energy: -344.848 Base-Backbone interact. energy: -2.492 local terms energy: -364.007690 where: bonds (distance) C4'-P energy: -69.588 bonds (distance) P-C4' energy: -66.535 flat angles C4'-P-C4' energy: -75.397 flat angles P-C4'-P energy: -53.030 tors. eta vs tors. theta energy: -99.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -1158.549481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.549481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.549481 (E_RNA) where: Base-Base interactions energy: -814.182 where: short stacking energy: -311.780 Base-Backbone interact. energy: -2.193 local terms energy: -342.174401 where: bonds (distance) C4'-P energy: -69.354 bonds (distance) P-C4' energy: -63.807 flat angles C4'-P-C4' energy: -70.877 flat angles P-C4'-P energy: -44.320 tors. eta vs tors. theta energy: -93.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -1035.322695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1035.322695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1035.322695 (E_RNA) where: Base-Base interactions energy: -692.837 where: short stacking energy: -311.335 Base-Backbone interact. energy: -0.265 local terms energy: -342.220194 where: bonds (distance) C4'-P energy: -67.959 bonds (distance) P-C4' energy: -62.702 flat angles C4'-P-C4' energy: -67.897 flat angles P-C4'-P energy: -42.411 tors. eta vs tors. theta energy: -101.251 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: 9 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -1056.994100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1056.994100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1056.994100 (E_RNA) where: Base-Base interactions energy: -763.286 where: short stacking energy: -301.708 Base-Backbone interact. energy: -2.941 local terms energy: -290.766965 where: bonds (distance) C4'-P energy: -51.549 bonds (distance) P-C4' energy: -60.124 flat angles C4'-P-C4' energy: -54.411 flat angles P-C4'-P energy: -33.171 tors. eta vs tors. theta energy: -91.512 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: 1 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -916.882404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.882404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.882404 (E_RNA) where: Base-Base interactions energy: -624.772 where: short stacking energy: -273.146 Base-Backbone interact. energy: -1.147 local terms energy: -290.962507 where: bonds (distance) C4'-P energy: -51.566 bonds (distance) P-C4' energy: -57.040 flat angles C4'-P-C4' energy: -64.339 flat angles P-C4'-P energy: -45.053 tors. eta vs tors. theta energy: -72.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -725.924764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -725.924764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -725.924764 (E_RNA) where: Base-Base interactions energy: -455.891 where: short stacking energy: -205.997 Base-Backbone interact. energy: -3.493 local terms energy: -266.541537 where: bonds (distance) C4'-P energy: -57.247 bonds (distance) P-C4' energy: -62.934 flat angles C4'-P-C4' energy: -61.019 flat angles P-C4'-P energy: -42.685 tors. eta vs tors. theta energy: -42.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -721.447727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.447727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.447727 (E_RNA) where: Base-Base interactions energy: -484.705 where: short stacking energy: -199.213 Base-Backbone interact. energy: 2.932 local terms energy: -239.675197 where: bonds (distance) C4'-P energy: -50.553 bonds (distance) P-C4' energy: -52.713 flat angles C4'-P-C4' energy: -60.456 flat angles P-C4'-P energy: -36.755 tors. eta vs tors. theta energy: -39.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -632.217641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.217641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.217641 (E_RNA) where: Base-Base interactions energy: -371.883 where: short stacking energy: -175.595 Base-Backbone interact. energy: -1.358 local terms energy: -258.976243 where: bonds (distance) C4'-P energy: -52.305 bonds (distance) P-C4' energy: -51.878 flat angles C4'-P-C4' energy: -66.921 flat angles P-C4'-P energy: -46.741 tors. eta vs tors. theta energy: -41.132 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: 9, replica: 4 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -589.663399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.663399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.663399 (E_RNA) where: Base-Base interactions energy: -386.949 where: short stacking energy: -169.308 Base-Backbone interact. energy: -1.313 local terms energy: -201.401218 where: bonds (distance) C4'-P energy: -38.754 bonds (distance) P-C4' energy: -42.184 flat angles C4'-P-C4' energy: -56.757 flat angles P-C4'-P energy: -28.362 tors. eta vs tors. theta energy: -35.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -421.386615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.386615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.386615 (E_RNA) where: Base-Base interactions energy: -219.960 where: short stacking energy: -110.497 Base-Backbone interact. energy: -1.912 local terms energy: -199.514625 where: bonds (distance) C4'-P energy: -56.499 bonds (distance) P-C4' energy: -54.867 flat angles C4'-P-C4' energy: -40.176 flat angles P-C4'-P energy: -32.023 tors. eta vs tors. theta energy: -15.949 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: 8 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -1166.672556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1166.672556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1166.672556 (E_RNA) where: Base-Base interactions energy: -801.244 where: short stacking energy: -336.723 Base-Backbone interact. energy: -0.848 local terms energy: -364.580558 where: bonds (distance) C4'-P energy: -61.406 bonds (distance) P-C4' energy: -67.413 flat angles C4'-P-C4' energy: -81.590 flat angles P-C4'-P energy: -51.852 tors. eta vs tors. theta energy: -102.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -1134.477160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.477160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.477160 (E_RNA) where: Base-Base interactions energy: -808.763 where: short stacking energy: -316.636 Base-Backbone interact. energy: -1.729 local terms energy: -323.984722 where: bonds (distance) C4'-P energy: -55.982 bonds (distance) P-C4' energy: -64.879 flat angles C4'-P-C4' energy: -72.801 flat angles P-C4'-P energy: -46.524 tors. eta vs tors. theta energy: -83.798 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: 6 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -1040.021885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1040.021885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1040.021885 (E_RNA) where: Base-Base interactions energy: -712.865 where: short stacking energy: -326.726 Base-Backbone interact. energy: -0.365 local terms energy: -326.792082 where: bonds (distance) C4'-P energy: -60.025 bonds (distance) P-C4' energy: -61.936 flat angles C4'-P-C4' energy: -71.238 flat angles P-C4'-P energy: -35.931 tors. eta vs tors. theta energy: -97.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -1062.370658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1062.370658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1062.370658 (E_RNA) where: Base-Base interactions energy: -734.333 where: short stacking energy: -299.463 Base-Backbone interact. energy: -1.264 local terms energy: -326.774379 where: bonds (distance) C4'-P energy: -64.692 bonds (distance) P-C4' energy: -65.535 flat angles C4'-P-C4' energy: -65.992 flat angles P-C4'-P energy: -47.300 tors. eta vs tors. theta energy: -83.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -844.704530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.704530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.704530 (E_RNA) where: Base-Base interactions energy: -571.267 where: short stacking energy: -250.189 Base-Backbone interact. energy: -0.311 local terms energy: -273.126095 where: bonds (distance) C4'-P energy: -58.562 bonds (distance) P-C4' energy: -55.831 flat angles C4'-P-C4' energy: -62.728 flat angles P-C4'-P energy: -39.025 tors. eta vs tors. theta energy: -56.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -717.950002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.950002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.950002 (E_RNA) where: Base-Base interactions energy: -463.157 where: short stacking energy: -205.729 Base-Backbone interact. energy: 0.339 local terms energy: -255.132359 where: bonds (distance) C4'-P energy: -54.735 bonds (distance) P-C4' energy: -59.846 flat angles C4'-P-C4' energy: -62.560 flat angles P-C4'-P energy: -33.214 tors. eta vs tors. theta energy: -44.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -701.460268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.460268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.460268 (E_RNA) where: Base-Base interactions energy: -470.696 where: short stacking energy: -209.879 Base-Backbone interact. energy: -1.770 local terms energy: -228.994524 where: bonds (distance) C4'-P energy: -62.348 bonds (distance) P-C4' energy: -49.734 flat angles C4'-P-C4' energy: -43.642 flat angles P-C4'-P energy: -36.711 tors. eta vs tors. theta energy: -36.560 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: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -629.188493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -629.188493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -629.188493 (E_RNA) where: Base-Base interactions energy: -362.333 where: short stacking energy: -165.989 Base-Backbone interact. energy: -1.487 local terms energy: -265.367927 where: bonds (distance) C4'-P energy: -66.631 bonds (distance) P-C4' energy: -63.902 flat angles C4'-P-C4' energy: -66.393 flat angles P-C4'-P energy: -27.388 tors. eta vs tors. theta energy: -41.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -586.775390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -586.775390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -586.775390 (E_RNA) where: Base-Base interactions energy: -346.556 where: short stacking energy: -176.078 Base-Backbone interact. energy: -3.004 local terms energy: -237.214482 where: bonds (distance) C4'-P energy: -59.826 bonds (distance) P-C4' energy: -57.284 flat angles C4'-P-C4' energy: -61.668 flat angles P-C4'-P energy: -31.192 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: 10, replica: 7 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -422.254568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.254568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.254568 (E_RNA) where: Base-Base interactions energy: -229.070 where: short stacking energy: -124.063 Base-Backbone interact. energy: -0.110 local terms energy: -193.073879 where: bonds (distance) C4'-P energy: -63.660 bonds (distance) P-C4' energy: -62.908 flat angles C4'-P-C4' energy: -38.298 flat angles P-C4'-P energy: -26.924 tors. eta vs tors. theta energy: -1.283 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: 8 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -1201.557518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.557518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.557518 (E_RNA) where: Base-Base interactions energy: -830.186 where: short stacking energy: -366.795 Base-Backbone interact. energy: -1.684 local terms energy: -369.686760 where: bonds (distance) C4'-P energy: -66.207 bonds (distance) P-C4' energy: -72.771 flat angles C4'-P-C4' energy: -67.533 flat angles P-C4'-P energy: -55.020 tors. eta vs tors. theta energy: -108.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -1137.197295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.197295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.197295 (E_RNA) where: Base-Base interactions energy: -789.302 where: short stacking energy: -314.291 Base-Backbone interact. energy: -2.317 local terms energy: -345.578709 where: bonds (distance) C4'-P energy: -71.410 bonds (distance) P-C4' energy: -69.155 flat angles C4'-P-C4' energy: -67.961 flat angles P-C4'-P energy: -46.407 tors. eta vs tors. theta energy: -90.647 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: 9 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -1104.643989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1104.643989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1104.643989 (E_RNA) where: Base-Base interactions energy: -771.708 where: short stacking energy: -304.166 Base-Backbone interact. energy: 2.518 local terms energy: -335.454011 where: bonds (distance) C4'-P energy: -69.878 bonds (distance) P-C4' energy: -61.201 flat angles C4'-P-C4' energy: -72.855 flat angles P-C4'-P energy: -43.479 tors. eta vs tors. theta energy: -88.040 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: 4, replica: 6 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -1016.346564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.346564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.346564 (E_RNA) where: Base-Base interactions energy: -671.640 where: short stacking energy: -324.114 Base-Backbone interact. energy: -1.296 local terms energy: -343.410921 where: bonds (distance) C4'-P energy: -73.917 bonds (distance) P-C4' energy: -61.944 flat angles C4'-P-C4' energy: -67.836 flat angles P-C4'-P energy: -49.971 tors. eta vs tors. theta energy: -89.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -847.299420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.299420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.299420 (E_RNA) where: Base-Base interactions energy: -564.946 where: short stacking energy: -255.608 Base-Backbone interact. energy: -2.339 local terms energy: -280.014473 where: bonds (distance) C4'-P energy: -57.340 bonds (distance) P-C4' energy: -61.765 flat angles C4'-P-C4' energy: -56.174 flat angles P-C4'-P energy: -38.244 tors. eta vs tors. theta energy: -66.492 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: 5 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -773.526979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.526979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.526979 (E_RNA) where: Base-Base interactions energy: -523.267 where: short stacking energy: -231.463 Base-Backbone interact. energy: -2.927 local terms energy: -247.333031 where: bonds (distance) C4'-P energy: -48.226 bonds (distance) P-C4' energy: -54.481 flat angles C4'-P-C4' energy: -53.172 flat angles P-C4'-P energy: -40.598 tors. eta vs tors. theta energy: -50.857 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: 3 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -732.393772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -732.393772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -732.393772 (E_RNA) where: Base-Base interactions energy: -484.071 where: short stacking energy: -193.271 Base-Backbone interact. energy: 3.268 local terms energy: -251.590007 where: bonds (distance) C4'-P energy: -54.273 bonds (distance) P-C4' energy: -54.214 flat angles C4'-P-C4' energy: -49.823 flat angles P-C4'-P energy: -51.939 tors. eta vs tors. theta energy: -41.341 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: 4 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -611.278406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -611.278406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -611.278406 (E_RNA) where: Base-Base interactions energy: -380.939 where: short stacking energy: -174.023 Base-Backbone interact. energy: 0.424 local terms energy: -230.763637 where: bonds (distance) C4'-P energy: -55.817 bonds (distance) P-C4' energy: -54.360 flat angles C4'-P-C4' energy: -54.266 flat angles P-C4'-P energy: -38.562 tors. eta vs tors. theta energy: -27.759 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: 2 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -562.571117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -562.571117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -562.571117 (E_RNA) where: Base-Base interactions energy: -342.712 where: short stacking energy: -152.776 Base-Backbone interact. energy: 1.644 local terms energy: -221.503358 where: bonds (distance) C4'-P energy: -62.340 bonds (distance) P-C4' energy: -59.086 flat angles C4'-P-C4' energy: -41.414 flat angles P-C4'-P energy: -32.430 tors. eta vs tors. theta energy: -26.233 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: 10, replica: 7 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -396.337991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.337991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.337991 (E_RNA) where: Base-Base interactions energy: -210.485 where: short stacking energy: -110.057 Base-Backbone interact. energy: 5.066 local terms energy: -190.918632 where: bonds (distance) C4'-P energy: -50.116 bonds (distance) P-C4' energy: -54.038 flat angles C4'-P-C4' energy: -49.761 flat angles P-C4'-P energy: -35.905 tors. eta vs tors. theta energy: -1.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -1178.055528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.055528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.055528 (E_RNA) where: Base-Base interactions energy: -812.810 where: short stacking energy: -328.787 Base-Backbone interact. energy: 0.577 local terms energy: -365.821788 where: bonds (distance) C4'-P energy: -67.641 bonds (distance) P-C4' energy: -63.418 flat angles C4'-P-C4' energy: -79.433 flat angles P-C4'-P energy: -48.208 tors. eta vs tors. theta energy: -107.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -1168.854635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1168.854635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1168.854635 (E_RNA) where: Base-Base interactions energy: -825.309 where: short stacking energy: -324.754 Base-Backbone interact. energy: -2.975 local terms energy: -340.570685 where: bonds (distance) C4'-P energy: -64.047 bonds (distance) P-C4' energy: -62.699 flat angles C4'-P-C4' energy: -71.617 flat angles P-C4'-P energy: -48.465 tors. eta vs tors. theta energy: -93.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -1105.631589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1105.631589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1105.631589 (E_RNA) where: Base-Base interactions energy: -770.444 where: short stacking energy: -308.865 Base-Backbone interact. energy: 0.781 local terms energy: -335.969002 where: bonds (distance) C4'-P energy: -73.037 bonds (distance) P-C4' energy: -63.972 flat angles C4'-P-C4' energy: -66.941 flat angles P-C4'-P energy: -47.296 tors. eta vs tors. theta energy: -84.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -1001.494749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.494749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.494749 (E_RNA) where: Base-Base interactions energy: -667.593 where: short stacking energy: -303.463 Base-Backbone interact. energy: -0.142 local terms energy: -333.759489 where: bonds (distance) C4'-P energy: -53.695 bonds (distance) P-C4' energy: -70.517 flat angles C4'-P-C4' energy: -71.240 flat angles P-C4'-P energy: -47.878 tors. eta vs tors. theta energy: -90.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -852.167640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -852.167640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -852.167640 (E_RNA) where: Base-Base interactions energy: -571.730 where: short stacking energy: -229.970 Base-Backbone interact. energy: -0.107 local terms energy: -280.330619 where: bonds (distance) C4'-P energy: -50.493 bonds (distance) P-C4' energy: -57.567 flat angles C4'-P-C4' energy: -65.701 flat angles P-C4'-P energy: -45.928 tors. eta vs tors. theta energy: -60.642 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -770.588222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -770.588222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -770.588222 (E_RNA) where: Base-Base interactions energy: -496.848 where: short stacking energy: -230.879 Base-Backbone interact. energy: 1.620 local terms energy: -275.360566 where: bonds (distance) C4'-P energy: -57.828 bonds (distance) P-C4' energy: -57.731 flat angles C4'-P-C4' energy: -58.444 flat angles P-C4'-P energy: -39.532 tors. eta vs tors. theta energy: -61.826 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: 3 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -674.230843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.230843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.230843 (E_RNA) where: Base-Base interactions energy: -438.739 where: short stacking energy: -180.604 Base-Backbone interact. energy: 1.793 local terms energy: -237.284875 where: bonds (distance) C4'-P energy: -50.973 bonds (distance) P-C4' energy: -63.054 flat angles C4'-P-C4' energy: -52.808 flat angles P-C4'-P energy: -27.428 tors. eta vs tors. theta energy: -43.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -615.573298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -615.573298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -615.573298 (E_RNA) where: Base-Base interactions energy: -375.876 where: short stacking energy: -173.988 Base-Backbone interact. energy: -1.927 local terms energy: -237.769995 where: bonds (distance) C4'-P energy: -48.901 bonds (distance) P-C4' energy: -66.072 flat angles C4'-P-C4' energy: -56.810 flat angles P-C4'-P energy: -30.813 tors. eta vs tors. theta energy: -35.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -540.694834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.694834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.694834 (E_RNA) where: Base-Base interactions energy: -316.360 where: short stacking energy: -153.397 Base-Backbone interact. energy: -1.125 local terms energy: -223.209344 where: bonds (distance) C4'-P energy: -56.966 bonds (distance) P-C4' energy: -64.400 flat angles C4'-P-C4' energy: -56.919 flat angles P-C4'-P energy: -25.459 tors. eta vs tors. theta energy: -19.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -446.614004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -446.614004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -446.614004 (E_RNA) where: Base-Base interactions energy: -253.180 where: short stacking energy: -128.711 Base-Backbone interact. energy: -1.754 local terms energy: -191.680311 where: bonds (distance) C4'-P energy: -54.081 bonds (distance) P-C4' energy: -62.091 flat angles C4'-P-C4' energy: -44.232 flat angles P-C4'-P energy: -20.372 tors. eta vs tors. theta energy: -10.904 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: 8 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -1205.744156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.744156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.744156 (E_RNA) where: Base-Base interactions energy: -835.241 where: short stacking energy: -350.235 Base-Backbone interact. energy: -2.379 local terms energy: -368.124496 where: bonds (distance) C4'-P energy: -65.081 bonds (distance) P-C4' energy: -66.278 flat angles C4'-P-C4' energy: -73.456 flat angles P-C4'-P energy: -58.710 tors. eta vs tors. theta energy: -104.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -1147.948542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.948542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.948542 (E_RNA) where: Base-Base interactions energy: -795.691 where: short stacking energy: -300.519 Base-Backbone interact. energy: -1.583 local terms energy: -350.674574 where: bonds (distance) C4'-P energy: -69.738 bonds (distance) P-C4' energy: -64.291 flat angles C4'-P-C4' energy: -73.021 flat angles P-C4'-P energy: -45.588 tors. eta vs tors. theta energy: -98.037 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: 3, replica: 9 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -1139.308604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.308604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.308604 (E_RNA) where: Base-Base interactions energy: -802.044 where: short stacking energy: -326.690 Base-Backbone interact. energy: -0.352 local terms energy: -336.912004 where: bonds (distance) C4'-P energy: -59.937 bonds (distance) P-C4' energy: -59.299 flat angles C4'-P-C4' energy: -77.589 flat angles P-C4'-P energy: -51.065 tors. eta vs tors. theta energy: -89.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -1012.921948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1012.921948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1012.921948 (E_RNA) where: Base-Base interactions energy: -685.197 where: short stacking energy: -316.140 Base-Backbone interact. energy: -1.270 local terms energy: -326.455159 where: bonds (distance) C4'-P energy: -59.598 bonds (distance) P-C4' energy: -66.407 flat angles C4'-P-C4' energy: -69.447 flat angles P-C4'-P energy: -43.373 tors. eta vs tors. theta energy: -87.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -850.193292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -850.193292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -850.193292 (E_RNA) where: Base-Base interactions energy: -573.814 where: short stacking energy: -260.272 Base-Backbone interact. energy: 0.665 local terms energy: -277.043839 where: bonds (distance) C4'-P energy: -58.981 bonds (distance) P-C4' energy: -56.866 flat angles C4'-P-C4' energy: -58.012 flat angles P-C4'-P energy: -41.432 tors. eta vs tors. theta energy: -61.753 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: 6, replica: 1 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -835.177641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -835.177641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -835.177641 (E_RNA) where: Base-Base interactions energy: -551.918 where: short stacking energy: -245.584 Base-Backbone interact. energy: 1.087 local terms energy: -284.347048 where: bonds (distance) C4'-P energy: -58.260 bonds (distance) P-C4' energy: -58.361 flat angles C4'-P-C4' energy: -58.781 flat angles P-C4'-P energy: -38.379 tors. eta vs tors. theta energy: -70.565 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: 3 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -675.385559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.385559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.385559 (E_RNA) where: Base-Base interactions energy: -425.461 where: short stacking energy: -185.488 Base-Backbone interact. energy: -0.769 local terms energy: -249.155547 where: bonds (distance) C4'-P energy: -49.709 bonds (distance) P-C4' energy: -54.923 flat angles C4'-P-C4' energy: -58.002 flat angles P-C4'-P energy: -47.987 tors. eta vs tors. theta energy: -38.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -594.996893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -594.996893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -594.996893 (E_RNA) where: Base-Base interactions energy: -353.967 where: short stacking energy: -165.379 Base-Backbone interact. energy: 0.791 local terms energy: -241.820930 where: bonds (distance) C4'-P energy: -59.878 bonds (distance) P-C4' energy: -57.612 flat angles C4'-P-C4' energy: -60.487 flat angles P-C4'-P energy: -26.483 tors. eta vs tors. theta energy: -37.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -553.975695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -553.975695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -553.975695 (E_RNA) where: Base-Base interactions energy: -322.944 where: short stacking energy: -147.306 Base-Backbone interact. energy: 0.823 local terms energy: -231.853774 where: bonds (distance) C4'-P energy: -47.481 bonds (distance) P-C4' energy: -60.231 flat angles C4'-P-C4' energy: -60.895 flat angles P-C4'-P energy: -41.375 tors. eta vs tors. theta energy: -21.872 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: 7 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -437.477778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.477778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.477778 (E_RNA) where: Base-Base interactions energy: -233.934 where: short stacking energy: -135.730 Base-Backbone interact. energy: -0.862 local terms energy: -202.681588 where: bonds (distance) C4'-P energy: -53.300 bonds (distance) P-C4' energy: -56.582 flat angles C4'-P-C4' energy: -53.879 flat angles P-C4'-P energy: -36.287 tors. eta vs tors. theta energy: -2.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -1215.922077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.922077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.922077 (E_RNA) where: Base-Base interactions energy: -846.830 where: short stacking energy: -342.485 Base-Backbone interact. energy: -3.494 local terms energy: -365.598218 where: bonds (distance) C4'-P energy: -65.433 bonds (distance) P-C4' energy: -71.653 flat angles C4'-P-C4' energy: -74.098 flat angles P-C4'-P energy: -50.997 tors. eta vs tors. theta energy: -103.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -1107.865430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1107.865430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1107.865430 (E_RNA) where: Base-Base interactions energy: -778.702 where: short stacking energy: -326.003 Base-Backbone interact. energy: 2.966 local terms energy: -332.129371 where: bonds (distance) C4'-P energy: -67.445 bonds (distance) P-C4' energy: -63.090 flat angles C4'-P-C4' energy: -64.065 flat angles P-C4'-P energy: -48.100 tors. eta vs tors. theta energy: -89.429 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: 10 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -1118.657505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.657505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.657505 (E_RNA) where: Base-Base interactions energy: -779.386 where: short stacking energy: -309.840 Base-Backbone interact. energy: -2.390 local terms energy: -336.881379 where: bonds (distance) C4'-P energy: -53.048 bonds (distance) P-C4' energy: -62.877 flat angles C4'-P-C4' energy: -77.502 flat angles P-C4'-P energy: -49.548 tors. eta vs tors. theta energy: -93.906 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: 6 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -1015.514241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1015.514241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1015.514241 (E_RNA) where: Base-Base interactions energy: -661.968 where: short stacking energy: -308.826 Base-Backbone interact. energy: -1.222 local terms energy: -352.324440 where: bonds (distance) C4'-P energy: -63.782 bonds (distance) P-C4' energy: -66.562 flat angles C4'-P-C4' energy: -76.699 flat angles P-C4'-P energy: -49.389 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: 5, replica: 5 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -826.512200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.512200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.512200 (E_RNA) where: Base-Base interactions energy: -531.481 where: short stacking energy: -245.956 Base-Backbone interact. energy: 0.361 local terms energy: -295.392679 where: bonds (distance) C4'-P energy: -60.777 bonds (distance) P-C4' energy: -73.781 flat angles C4'-P-C4' energy: -60.749 flat angles P-C4'-P energy: -37.744 tors. eta vs tors. theta energy: -62.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -842.421954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.421954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.421954 (E_RNA) where: Base-Base interactions energy: -552.093 where: short stacking energy: -244.045 Base-Backbone interact. energy: -0.570 local terms energy: -289.758770 where: bonds (distance) C4'-P energy: -64.258 bonds (distance) P-C4' energy: -52.578 flat angles C4'-P-C4' energy: -62.893 flat angles P-C4'-P energy: -42.089 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: 7, replica: 3 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -748.729923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -748.729923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -748.729923 (E_RNA) where: Base-Base interactions energy: -464.417 where: short stacking energy: -212.343 Base-Backbone interact. energy: -2.226 local terms energy: -282.086747 where: bonds (distance) C4'-P energy: -58.633 bonds (distance) P-C4' energy: -68.097 flat angles C4'-P-C4' energy: -65.591 flat angles P-C4'-P energy: -36.900 tors. eta vs tors. theta energy: -52.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -642.750854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -642.750854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -642.750854 (E_RNA) where: Base-Base interactions energy: -418.659 where: short stacking energy: -177.199 Base-Backbone interact. energy: -0.488 local terms energy: -223.603987 where: bonds (distance) C4'-P energy: -47.665 bonds (distance) P-C4' energy: -63.088 flat angles C4'-P-C4' energy: -44.237 flat angles P-C4'-P energy: -31.410 tors. eta vs tors. theta energy: -37.204 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: 2 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -539.978259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.978259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.978259 (E_RNA) where: Base-Base interactions energy: -334.351 where: short stacking energy: -163.237 Base-Backbone interact. energy: 0.320 local terms energy: -205.946887 where: bonds (distance) C4'-P energy: -44.067 bonds (distance) P-C4' energy: -50.064 flat angles C4'-P-C4' energy: -53.600 flat angles P-C4'-P energy: -28.143 tors. eta vs tors. theta energy: -30.073 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: 7 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -410.972396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -410.972396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -410.972396 (E_RNA) where: Base-Base interactions energy: -221.200 where: short stacking energy: -121.368 Base-Backbone interact. energy: -2.074 local terms energy: -187.698463 where: bonds (distance) C4'-P energy: -63.297 bonds (distance) P-C4' energy: -50.654 flat angles C4'-P-C4' energy: -53.327 flat angles P-C4'-P energy: -15.213 tors. eta vs tors. theta energy: -5.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -1194.912315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1194.912315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1194.912315 (E_RNA) where: Base-Base interactions energy: -826.611 where: short stacking energy: -345.854 Base-Backbone interact. energy: 0.111 local terms energy: -368.411688 where: bonds (distance) C4'-P energy: -61.402 bonds (distance) P-C4' energy: -72.469 flat angles C4'-P-C4' energy: -73.580 flat angles P-C4'-P energy: -54.219 tors. eta vs tors. theta energy: -106.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -1135.160047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.160047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.160047 (E_RNA) where: Base-Base interactions energy: -815.619 where: short stacking energy: -323.258 Base-Backbone interact. energy: -2.481 local terms energy: -317.060240 where: bonds (distance) C4'-P energy: -50.940 bonds (distance) P-C4' energy: -63.443 flat angles C4'-P-C4' energy: -68.914 flat angles P-C4'-P energy: -44.451 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: 3, replica: 10 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -1127.616579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1127.616579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1127.616579 (E_RNA) where: Base-Base interactions energy: -786.695 where: short stacking energy: -297.756 Base-Backbone interact. energy: -0.995 local terms energy: -339.926899 where: bonds (distance) C4'-P energy: -64.806 bonds (distance) P-C4' energy: -67.825 flat angles C4'-P-C4' energy: -71.541 flat angles P-C4'-P energy: -45.774 tors. eta vs tors. theta energy: -89.981 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: 6 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -1008.322604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1008.322604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1008.322604 (E_RNA) where: Base-Base interactions energy: -661.641 where: short stacking energy: -294.630 Base-Backbone interact. energy: -0.969 local terms energy: -345.712671 where: bonds (distance) C4'-P energy: -71.431 bonds (distance) P-C4' energy: -63.411 flat angles C4'-P-C4' energy: -67.647 flat angles P-C4'-P energy: -49.645 tors. eta vs tors. theta energy: -93.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -867.503029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.503029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.503029 (E_RNA) where: Base-Base interactions energy: -567.523 where: short stacking energy: -263.946 Base-Backbone interact. energy: -3.809 local terms energy: -296.170706 where: bonds (distance) C4'-P energy: -54.050 bonds (distance) P-C4' energy: -62.109 flat angles C4'-P-C4' energy: -52.596 flat angles P-C4'-P energy: -51.805 tors. eta vs tors. theta energy: -75.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -822.963587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -822.963587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -822.963587 (E_RNA) where: Base-Base interactions energy: -533.534 where: short stacking energy: -249.708 Base-Backbone interact. energy: -0.593 local terms energy: -288.836856 where: bonds (distance) C4'-P energy: -60.162 bonds (distance) P-C4' energy: -58.976 flat angles C4'-P-C4' energy: -67.193 flat angles P-C4'-P energy: -41.244 tors. eta vs tors. theta energy: -61.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -701.441556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.441556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.441556 (E_RNA) where: Base-Base interactions energy: -455.005 where: short stacking energy: -205.399 Base-Backbone interact. energy: 2.238 local terms energy: -248.674230 where: bonds (distance) C4'-P energy: -58.696 bonds (distance) P-C4' energy: -61.720 flat angles C4'-P-C4' energy: -43.235 flat angles P-C4'-P energy: -36.389 tors. eta vs tors. theta energy: -48.633 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: 4 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -668.559859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -668.559859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -668.559859 (E_RNA) where: Base-Base interactions energy: -441.026 where: short stacking energy: -197.062 Base-Backbone interact. energy: -0.949 local terms energy: -226.585175 where: bonds (distance) C4'-P energy: -56.359 bonds (distance) P-C4' energy: -43.956 flat angles C4'-P-C4' energy: -52.294 flat angles P-C4'-P energy: -44.723 tors. eta vs tors. theta energy: -29.252 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: 400 Temperature: 1.300000 Total energy: -566.830675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -566.830675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -566.830675 (E_RNA) where: Base-Base interactions energy: -333.635 where: short stacking energy: -154.014 Base-Backbone interact. energy: -0.678 local terms energy: -232.517711 where: bonds (distance) C4'-P energy: -53.396 bonds (distance) P-C4' energy: -65.626 flat angles C4'-P-C4' energy: -53.381 flat angles P-C4'-P energy: -34.061 tors. eta vs tors. theta energy: -26.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -396.968649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.968649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.968649 (E_RNA) where: Base-Base interactions energy: -220.305 where: short stacking energy: -119.738 Base-Backbone interact. energy: 0.193 local terms energy: -176.856831 where: bonds (distance) C4'-P energy: -52.129 bonds (distance) P-C4' energy: -40.716 flat angles C4'-P-C4' energy: -54.041 flat angles P-C4'-P energy: -21.289 tors. eta vs tors. theta energy: -8.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -1190.885543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.885543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.885543 (E_RNA) where: Base-Base interactions energy: -819.499 where: short stacking energy: -337.440 Base-Backbone interact. energy: -1.055 local terms energy: -370.330865 where: bonds (distance) C4'-P energy: -66.619 bonds (distance) P-C4' energy: -72.600 flat angles C4'-P-C4' energy: -75.101 flat angles P-C4'-P energy: -49.912 tors. eta vs tors. theta energy: -106.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -1145.584910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.584910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.584910 (E_RNA) where: Base-Base interactions energy: -823.660 where: short stacking energy: -314.229 Base-Backbone interact. energy: -3.160 local terms energy: -318.765442 where: bonds (distance) C4'-P energy: -64.161 bonds (distance) P-C4' energy: -53.791 flat angles C4'-P-C4' energy: -76.058 flat angles P-C4'-P energy: -39.274 tors. eta vs tors. theta energy: -85.481 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: 9 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -1082.512529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1082.512529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1082.512529 (E_RNA) where: Base-Base interactions energy: -753.679 where: short stacking energy: -318.029 Base-Backbone interact. energy: -0.098 local terms energy: -328.735814 where: bonds (distance) C4'-P energy: -60.346 bonds (distance) P-C4' energy: -70.164 flat angles C4'-P-C4' energy: -69.917 flat angles P-C4'-P energy: -41.403 tors. eta vs tors. theta energy: -86.906 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: 6 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -1002.623315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1002.623315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1002.623315 (E_RNA) where: Base-Base interactions energy: -672.143 where: short stacking energy: -295.069 Base-Backbone interact. energy: -1.979 local terms energy: -328.500676 where: bonds (distance) C4'-P energy: -64.734 bonds (distance) P-C4' energy: -53.148 flat angles C4'-P-C4' energy: -71.064 flat angles P-C4'-P energy: -49.906 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: 5, replica: 1 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -866.705248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -866.705248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -866.705248 (E_RNA) where: Base-Base interactions energy: -567.787 where: short stacking energy: -270.296 Base-Backbone interact. energy: 0.802 local terms energy: -299.720260 where: bonds (distance) C4'-P energy: -58.568 bonds (distance) P-C4' energy: -61.597 flat angles C4'-P-C4' energy: -71.193 flat angles P-C4'-P energy: -41.717 tors. eta vs tors. theta energy: -66.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -839.106011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.106011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.106011 (E_RNA) where: Base-Base interactions energy: -569.858 where: short stacking energy: -249.516 Base-Backbone interact. energy: -2.098 local terms energy: -267.149359 where: bonds (distance) C4'-P energy: -51.246 bonds (distance) P-C4' energy: -54.725 flat angles C4'-P-C4' energy: -59.906 flat angles P-C4'-P energy: -36.632 tors. eta vs tors. theta energy: -64.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -685.823918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -685.823918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -685.823918 (E_RNA) where: Base-Base interactions energy: -437.834 where: short stacking energy: -194.475 Base-Backbone interact. energy: 1.608 local terms energy: -249.598340 where: bonds (distance) C4'-P energy: -61.100 bonds (distance) P-C4' energy: -61.440 flat angles C4'-P-C4' energy: -52.005 flat angles P-C4'-P energy: -34.147 tors. eta vs tors. theta energy: -40.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -654.337715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -654.337715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -654.337715 (E_RNA) where: Base-Base interactions energy: -430.703 where: short stacking energy: -200.092 Base-Backbone interact. energy: -2.455 local terms energy: -221.180045 where: bonds (distance) C4'-P energy: -44.236 bonds (distance) P-C4' energy: -55.032 flat angles C4'-P-C4' energy: -51.427 flat angles P-C4'-P energy: -36.951 tors. eta vs tors. theta energy: -33.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -571.380192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -571.380192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -571.380192 (E_RNA) where: Base-Base interactions energy: -339.185 where: short stacking energy: -167.719 Base-Backbone interact. energy: 3.162 local terms energy: -235.356922 where: bonds (distance) C4'-P energy: -46.144 bonds (distance) P-C4' energy: -54.968 flat angles C4'-P-C4' energy: -65.162 flat angles P-C4'-P energy: -38.720 tors. eta vs tors. theta energy: -30.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -450.036744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.036744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.036744 (E_RNA) where: Base-Base interactions energy: -257.171 where: short stacking energy: -145.166 Base-Backbone interact. energy: -0.745 local terms energy: -192.120763 where: bonds (distance) C4'-P energy: -49.061 bonds (distance) P-C4' energy: -65.461 flat angles C4'-P-C4' energy: -44.697 flat angles P-C4'-P energy: -14.335 tors. eta vs tors. theta energy: -18.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -1183.366819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.366819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.366819 (E_RNA) where: Base-Base interactions energy: -824.165 where: short stacking energy: -343.175 Base-Backbone interact. energy: -1.903 local terms energy: -357.298529 where: bonds (distance) C4'-P energy: -69.192 bonds (distance) P-C4' energy: -55.349 flat angles C4'-P-C4' energy: -82.006 flat angles P-C4'-P energy: -48.065 tors. eta vs tors. theta energy: -102.687 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: 10 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -1130.543816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.543816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.543816 (E_RNA) where: Base-Base interactions energy: -801.819 where: short stacking energy: -298.595 Base-Backbone interact. energy: -1.328 local terms energy: -327.397359 where: bonds (distance) C4'-P energy: -49.591 bonds (distance) P-C4' energy: -62.337 flat angles C4'-P-C4' energy: -68.712 flat angles P-C4'-P energy: -59.295 tors. eta vs tors. theta energy: -87.462 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: 9 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -1103.330042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.330042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.330042 (E_RNA) where: Base-Base interactions energy: -791.104 where: short stacking energy: -315.540 Base-Backbone interact. energy: -0.227 local terms energy: -311.999643 where: bonds (distance) C4'-P energy: -60.770 bonds (distance) P-C4' energy: -57.001 flat angles C4'-P-C4' energy: -64.531 flat angles P-C4'-P energy: -44.037 tors. eta vs tors. theta energy: -85.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -1005.053870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.053870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.053870 (E_RNA) where: Base-Base interactions energy: -671.440 where: short stacking energy: -300.076 Base-Backbone interact. energy: -1.232 local terms energy: -332.381422 where: bonds (distance) C4'-P energy: -55.927 bonds (distance) P-C4' energy: -64.672 flat angles C4'-P-C4' energy: -71.878 flat angles P-C4'-P energy: -50.460 tors. eta vs tors. theta energy: -89.446 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: 5, replica: 1 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -867.335456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.335456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.335456 (E_RNA) where: Base-Base interactions energy: -558.898 where: short stacking energy: -261.127 Base-Backbone interact. energy: -2.422 local terms energy: -306.016120 where: bonds (distance) C4'-P energy: -60.091 bonds (distance) P-C4' energy: -68.597 flat angles C4'-P-C4' energy: -61.073 flat angles P-C4'-P energy: -45.659 tors. eta vs tors. theta energy: -70.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 402 Temperature: 1.150000 Total energy: -830.868059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -830.868059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -830.868059 (E_RNA) where: Base-Base interactions energy: -540.225 where: short stacking energy: -241.298 Base-Backbone interact. energy: -0.993 local terms energy: -289.649855 where: bonds (distance) C4'-P energy: -55.965 bonds (distance) P-C4' energy: -58.138 flat angles C4'-P-C4' energy: -67.587 flat angles P-C4'-P energy: -44.956 tors. eta vs tors. theta energy: -63.004 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: 7, replica: 4 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -671.873276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.873276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.873276 (E_RNA) where: Base-Base interactions energy: -435.702 where: short stacking energy: -187.652 Base-Backbone interact. energy: 0.234 local terms energy: -236.404684 where: bonds (distance) C4'-P energy: -47.491 bonds (distance) P-C4' energy: -63.555 flat angles C4'-P-C4' energy: -55.334 flat angles P-C4'-P energy: -35.494 tors. eta vs tors. theta energy: -34.530 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: 3 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -717.662542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.662542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.662542 (E_RNA) where: Base-Base interactions energy: -468.166 where: short stacking energy: -207.932 Base-Backbone interact. energy: -2.186 local terms energy: -247.311176 where: bonds (distance) C4'-P energy: -55.940 bonds (distance) P-C4' energy: -51.563 flat angles C4'-P-C4' energy: -66.376 flat angles P-C4'-P energy: -29.387 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: 9, replica: 7 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -429.108806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.108806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.108806 (E_RNA) where: Base-Base interactions energy: -213.106 where: short stacking energy: -116.690 Base-Backbone interact. energy: 4.501 local terms energy: -220.503712 where: bonds (distance) C4'-P energy: -56.459 bonds (distance) P-C4' energy: -64.907 flat angles C4'-P-C4' energy: -58.235 flat angles P-C4'-P energy: -35.896 tors. eta vs tors. theta energy: -5.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -515.324801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -515.324801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -515.324801 (E_RNA) where: Base-Base interactions energy: -323.972 where: short stacking energy: -165.870 Base-Backbone interact. energy: -0.878 local terms energy: -190.474453 where: bonds (distance) C4'-P energy: -43.104 bonds (distance) P-C4' energy: -51.296 flat angles C4'-P-C4' energy: -44.085 flat angles P-C4'-P energy: -28.366 tors. eta vs tors. theta energy: -23.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -1180.348970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1180.348970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1180.348970 (E_RNA) where: Base-Base interactions energy: -814.612 where: short stacking energy: -335.996 Base-Backbone interact. energy: -2.555 local terms energy: -363.181893 where: bonds (distance) C4'-P energy: -65.008 bonds (distance) P-C4' energy: -68.777 flat angles C4'-P-C4' energy: -79.938 flat angles P-C4'-P energy: -53.165 tors. eta vs tors. theta energy: -96.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -1142.079757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.079757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.079757 (E_RNA) where: Base-Base interactions energy: -797.030 where: short stacking energy: -324.064 Base-Backbone interact. energy: -2.417 local terms energy: -342.631991 where: bonds (distance) C4'-P energy: -58.372 bonds (distance) P-C4' energy: -67.178 flat angles C4'-P-C4' energy: -77.900 flat angles P-C4'-P energy: -48.153 tors. eta vs tors. theta energy: -91.029 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: 10 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -1117.896393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.896393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.896393 (E_RNA) where: Base-Base interactions energy: -795.132 where: short stacking energy: -309.081 Base-Backbone interact. energy: -2.086 local terms energy: -320.678941 where: bonds (distance) C4'-P energy: -64.147 bonds (distance) P-C4' energy: -65.206 flat angles C4'-P-C4' energy: -65.794 flat angles P-C4'-P energy: -47.403 tors. eta vs tors. theta energy: -78.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -1020.279974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.279974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.279974 (E_RNA) where: Base-Base interactions energy: -697.298 where: short stacking energy: -297.780 Base-Backbone interact. energy: -0.468 local terms energy: -322.514318 where: bonds (distance) C4'-P energy: -64.908 bonds (distance) P-C4' energy: -61.485 flat angles C4'-P-C4' energy: -55.700 flat angles P-C4'-P energy: -51.009 tors. eta vs tors. theta energy: -89.412 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: 403 Temperature: 1.100000 Total energy: -911.104318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.104318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.104318 (E_RNA) where: Base-Base interactions energy: -585.607 where: short stacking energy: -266.496 Base-Backbone interact. energy: -0.233 local terms energy: -325.263343 where: bonds (distance) C4'-P energy: -65.246 bonds (distance) P-C4' energy: -64.661 flat angles C4'-P-C4' energy: -75.313 flat angles P-C4'-P energy: -49.566 tors. eta vs tors. theta energy: -70.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -808.348915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -808.348915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -808.348915 (E_RNA) where: Base-Base interactions energy: -525.078 where: short stacking energy: -227.932 Base-Backbone interact. energy: -0.815 local terms energy: -282.455817 where: bonds (distance) C4'-P energy: -66.406 bonds (distance) P-C4' energy: -56.878 flat angles C4'-P-C4' energy: -66.044 flat angles P-C4'-P energy: -42.071 tors. eta vs tors. theta energy: -51.057 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: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -721.556154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -721.556154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -721.556154 (E_RNA) where: Base-Base interactions energy: -480.792 where: short stacking energy: -216.666 Base-Backbone interact. energy: 1.863 local terms energy: -242.627238 where: bonds (distance) C4'-P energy: -44.132 bonds (distance) P-C4' energy: -65.434 flat angles C4'-P-C4' energy: -59.682 flat angles P-C4'-P energy: -28.258 tors. eta vs tors. theta energy: -45.121 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: 3 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -690.865163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.865163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.865163 (E_RNA) where: Base-Base interactions energy: -456.991 where: short stacking energy: -214.260 Base-Backbone interact. energy: -1.247 local terms energy: -232.627521 where: bonds (distance) C4'-P energy: -48.850 bonds (distance) P-C4' energy: -57.572 flat angles C4'-P-C4' energy: -54.376 flat angles P-C4'-P energy: -39.371 tors. eta vs tors. theta energy: -32.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -462.123645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -462.123645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -462.123645 (E_RNA) where: Base-Base interactions energy: -253.638 where: short stacking energy: -149.743 Base-Backbone interact. energy: 1.434 local terms energy: -209.919723 where: bonds (distance) C4'-P energy: -58.054 bonds (distance) P-C4' energy: -53.706 flat angles C4'-P-C4' energy: -57.413 flat angles P-C4'-P energy: -19.420 tors. eta vs tors. theta energy: -21.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -527.836117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.836117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.836117 (E_RNA) where: Base-Base interactions energy: -295.330 where: short stacking energy: -154.322 Base-Backbone interact. energy: 0.375 local terms energy: -232.881325 where: bonds (distance) C4'-P energy: -50.530 bonds (distance) P-C4' energy: -69.041 flat angles C4'-P-C4' energy: -59.324 flat angles P-C4'-P energy: -32.899 tors. eta vs tors. theta energy: -21.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -1171.353777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.353777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.353777 (E_RNA) where: Base-Base interactions energy: -824.551 where: short stacking energy: -338.841 Base-Backbone interact. energy: 0.785 local terms energy: -347.588278 where: bonds (distance) C4'-P energy: -69.620 bonds (distance) P-C4' energy: -59.297 flat angles C4'-P-C4' energy: -80.752 flat angles P-C4'-P energy: -44.768 tors. eta vs tors. theta energy: -93.151 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: 8 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -1150.664219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.664219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.664219 (E_RNA) where: Base-Base interactions energy: -809.319 where: short stacking energy: -331.789 Base-Backbone interact. energy: -0.803 local terms energy: -340.541810 where: bonds (distance) C4'-P energy: -68.775 bonds (distance) P-C4' energy: -48.774 flat angles C4'-P-C4' energy: -66.865 flat angles P-C4'-P energy: -49.098 tors. eta vs tors. theta energy: -107.030 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: 10 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -1101.685849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.685849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.685849 (E_RNA) where: Base-Base interactions energy: -761.711 where: short stacking energy: -285.889 Base-Backbone interact. energy: -1.150 local terms energy: -338.824917 where: bonds (distance) C4'-P energy: -65.879 bonds (distance) P-C4' energy: -68.903 flat angles C4'-P-C4' energy: -68.995 flat angles P-C4'-P energy: -46.059 tors. eta vs tors. theta energy: -88.988 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: 6 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -1023.398293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.398293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.398293 (E_RNA) where: Base-Base interactions energy: -697.382 where: short stacking energy: -320.227 Base-Backbone interact. energy: -0.771 local terms energy: -325.245266 where: bonds (distance) C4'-P energy: -60.336 bonds (distance) P-C4' energy: -58.548 flat angles C4'-P-C4' energy: -73.109 flat angles P-C4'-P energy: -37.322 tors. eta vs tors. theta energy: -95.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -886.174693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.174693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.174693 (E_RNA) where: Base-Base interactions energy: -581.763 where: short stacking energy: -247.950 Base-Backbone interact. energy: -1.918 local terms energy: -302.493776 where: bonds (distance) C4'-P energy: -59.386 bonds (distance) P-C4' energy: -57.805 flat angles C4'-P-C4' energy: -65.049 flat angles P-C4'-P energy: -42.756 tors. eta vs tors. theta energy: -77.498 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: 5 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -823.982308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -823.982308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -823.982308 (E_RNA) where: Base-Base interactions energy: -555.151 where: short stacking energy: -243.830 Base-Backbone interact. energy: -1.072 local terms energy: -267.759783 where: bonds (distance) C4'-P energy: -51.682 bonds (distance) P-C4' energy: -60.116 flat angles C4'-P-C4' energy: -66.485 flat angles P-C4'-P energy: -31.713 tors. eta vs tors. theta energy: -57.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -719.466774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.466774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.466774 (E_RNA) where: Base-Base interactions energy: -454.951 where: short stacking energy: -188.716 Base-Backbone interact. energy: -0.419 local terms energy: -264.096681 where: bonds (distance) C4'-P energy: -57.335 bonds (distance) P-C4' energy: -62.566 flat angles C4'-P-C4' energy: -61.674 flat angles P-C4'-P energy: -36.674 tors. eta vs tors. theta energy: -45.848 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: 4 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -671.458258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -671.458258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -671.458258 (E_RNA) where: Base-Base interactions energy: -423.918 where: short stacking energy: -189.793 Base-Backbone interact. energy: -0.127 local terms energy: -247.413709 where: bonds (distance) C4'-P energy: -59.410 bonds (distance) P-C4' energy: -52.716 flat angles C4'-P-C4' energy: -65.796 flat angles P-C4'-P energy: -34.674 tors. eta vs tors. theta energy: -34.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -539.880001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -539.880001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -539.880001 (E_RNA) where: Base-Base interactions energy: -298.930 where: short stacking energy: -146.407 Base-Backbone interact. energy: 1.502 local terms energy: -242.452519 where: bonds (distance) C4'-P energy: -57.291 bonds (distance) P-C4' energy: -61.994 flat angles C4'-P-C4' energy: -59.288 flat angles P-C4'-P energy: -36.204 tors. eta vs tors. theta energy: -27.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -408.578131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.578131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.578131 (E_RNA) where: Base-Base interactions energy: -212.529 where: short stacking energy: -118.522 Base-Backbone interact. energy: -0.016 local terms energy: -196.033695 where: bonds (distance) C4'-P energy: -48.679 bonds (distance) P-C4' energy: -60.188 flat angles C4'-P-C4' energy: -51.224 flat angles P-C4'-P energy: -30.247 tors. eta vs tors. theta energy: -5.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -1148.569988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.569988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.569988 (E_RNA) where: Base-Base interactions energy: -810.218 where: short stacking energy: -333.451 Base-Backbone interact. energy: -3.571 local terms energy: -334.781038 where: bonds (distance) C4'-P energy: -68.332 bonds (distance) P-C4' energy: -63.711 flat angles C4'-P-C4' energy: -74.556 flat angles P-C4'-P energy: -39.812 tors. eta vs tors. theta energy: -88.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -1144.789786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.789786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.789786 (E_RNA) where: Base-Base interactions energy: -794.693 where: short stacking energy: -329.042 Base-Backbone interact. energy: -2.327 local terms energy: -347.769491 where: bonds (distance) C4'-P energy: -55.522 bonds (distance) P-C4' energy: -65.348 flat angles C4'-P-C4' energy: -75.566 flat angles P-C4'-P energy: -53.226 tors. eta vs tors. theta energy: -98.107 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: 10 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -1079.034984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1079.034984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1079.034984 (E_RNA) where: Base-Base interactions energy: -771.411 where: short stacking energy: -298.411 Base-Backbone interact. energy: -3.138 local terms energy: -304.486359 where: bonds (distance) C4'-P energy: -56.191 bonds (distance) P-C4' energy: -56.540 flat angles C4'-P-C4' energy: -64.063 flat angles P-C4'-P energy: -41.649 tors. eta vs tors. theta energy: -86.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -1021.012473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.012473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.012473 (E_RNA) where: Base-Base interactions energy: -690.132 where: short stacking energy: -314.207 Base-Backbone interact. energy: 0.310 local terms energy: -331.190644 where: bonds (distance) C4'-P energy: -60.032 bonds (distance) P-C4' energy: -75.362 flat angles C4'-P-C4' energy: -66.526 flat angles P-C4'-P energy: -39.331 tors. eta vs tors. theta energy: -89.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -906.478070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.478070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.478070 (E_RNA) where: Base-Base interactions energy: -595.668 where: short stacking energy: -267.677 Base-Backbone interact. energy: -3.276 local terms energy: -307.534243 where: bonds (distance) C4'-P energy: -61.412 bonds (distance) P-C4' energy: -59.298 flat angles C4'-P-C4' energy: -67.125 flat angles P-C4'-P energy: -42.826 tors. eta vs tors. theta energy: -76.873 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: 5 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -837.548797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -837.548797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -837.548797 (E_RNA) where: Base-Base interactions energy: -557.731 where: short stacking energy: -240.509 Base-Backbone interact. energy: 1.372 local terms energy: -281.190166 where: bonds (distance) C4'-P energy: -65.580 bonds (distance) P-C4' energy: -57.814 flat angles C4'-P-C4' energy: -62.815 flat angles P-C4'-P energy: -29.226 tors. eta vs tors. theta energy: -65.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -729.779479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -729.779479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -729.779479 (E_RNA) where: Base-Base interactions energy: -461.342 where: short stacking energy: -208.000 Base-Backbone interact. energy: -3.324 local terms energy: -265.113795 where: bonds (distance) C4'-P energy: -55.485 bonds (distance) P-C4' energy: -64.569 flat angles C4'-P-C4' energy: -57.137 flat angles P-C4'-P energy: -38.910 tors. eta vs tors. theta energy: -49.012 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: 4 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -646.197659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.197659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.197659 (E_RNA) where: Base-Base interactions energy: -391.842 where: short stacking energy: -186.085 Base-Backbone interact. energy: -1.434 local terms energy: -252.921228 where: bonds (distance) C4'-P energy: -54.208 bonds (distance) P-C4' energy: -65.299 flat angles C4'-P-C4' energy: -57.916 flat angles P-C4'-P energy: -35.512 tors. eta vs tors. theta energy: -39.988 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: 2 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -564.028689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -564.028689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -564.028689 (E_RNA) where: Base-Base interactions energy: -332.247 where: short stacking energy: -170.504 Base-Backbone interact. energy: -0.244 local terms energy: -231.537611 where: bonds (distance) C4'-P energy: -53.795 bonds (distance) P-C4' energy: -63.404 flat angles C4'-P-C4' energy: -53.160 flat angles P-C4'-P energy: -38.566 tors. eta vs tors. theta energy: -22.613 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -405.271276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -405.271276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -405.271276 (E_RNA) where: Base-Base interactions energy: -203.451 where: short stacking energy: -106.408 Base-Backbone interact. energy: -1.119 local terms energy: -200.701178 where: bonds (distance) C4'-P energy: -47.911 bonds (distance) P-C4' energy: -46.959 flat angles C4'-P-C4' energy: -59.773 flat angles P-C4'-P energy: -39.989 tors. eta vs tors. theta energy: -6.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -1202.699272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.699272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.699272 (E_RNA) where: Base-Base interactions energy: -849.302 where: short stacking energy: -356.210 Base-Backbone interact. energy: 4.534 local terms energy: -357.931769 where: bonds (distance) C4'-P energy: -72.017 bonds (distance) P-C4' energy: -76.181 flat angles C4'-P-C4' energy: -62.391 flat angles P-C4'-P energy: -45.361 tors. eta vs tors. theta energy: -101.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -1115.491490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.491490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.491490 (E_RNA) where: Base-Base interactions energy: -797.076 where: short stacking energy: -308.521 Base-Backbone interact. energy: -1.294 local terms energy: -317.122037 where: bonds (distance) C4'-P energy: -45.432 bonds (distance) P-C4' energy: -71.803 flat angles C4'-P-C4' energy: -60.973 flat angles P-C4'-P energy: -52.311 tors. eta vs tors. theta energy: -86.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -1091.379962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.379962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.379962 (E_RNA) where: Base-Base interactions energy: -768.296 where: short stacking energy: -308.154 Base-Backbone interact. energy: -3.531 local terms energy: -319.553509 where: bonds (distance) C4'-P energy: -50.473 bonds (distance) P-C4' energy: -64.455 flat angles C4'-P-C4' energy: -70.670 flat angles P-C4'-P energy: -38.377 tors. eta vs tors. theta energy: -95.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -1013.042336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1013.042336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1013.042336 (E_RNA) where: Base-Base interactions energy: -692.293 where: short stacking energy: -314.305 Base-Backbone interact. energy: -1.168 local terms energy: -319.580474 where: bonds (distance) C4'-P energy: -60.926 bonds (distance) P-C4' energy: -63.592 flat angles C4'-P-C4' energy: -67.496 flat angles P-C4'-P energy: -43.287 tors. eta vs tors. theta energy: -84.280 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: 1 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -906.298857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.298857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.298857 (E_RNA) where: Base-Base interactions energy: -612.616 where: short stacking energy: -290.352 Base-Backbone interact. energy: -1.370 local terms energy: -292.312992 where: bonds (distance) C4'-P energy: -54.984 bonds (distance) P-C4' energy: -61.603 flat angles C4'-P-C4' energy: -54.332 flat angles P-C4'-P energy: -40.154 tors. eta vs tors. theta energy: -81.240 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: 5 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -815.287779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -815.287779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -815.287779 (E_RNA) where: Base-Base interactions energy: -535.805 where: short stacking energy: -232.917 Base-Backbone interact. energy: -1.416 local terms energy: -278.067418 where: bonds (distance) C4'-P energy: -62.325 bonds (distance) P-C4' energy: -64.747 flat angles C4'-P-C4' energy: -65.157 flat angles P-C4'-P energy: -35.455 tors. eta vs tors. theta energy: -50.383 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: 7, replica: 3 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -690.721986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -690.721986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -690.721986 (E_RNA) where: Base-Base interactions energy: -430.819 where: short stacking energy: -194.950 Base-Backbone interact. energy: -2.505 local terms energy: -257.398014 where: bonds (distance) C4'-P energy: -53.208 bonds (distance) P-C4' energy: -58.650 flat angles C4'-P-C4' energy: -56.191 flat angles P-C4'-P energy: -41.581 tors. eta vs tors. theta energy: -47.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -660.393063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -660.393063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -660.393063 (E_RNA) where: Base-Base interactions energy: -407.245 where: short stacking energy: -181.032 Base-Backbone interact. energy: -1.799 local terms energy: -251.348892 where: bonds (distance) C4'-P energy: -56.817 bonds (distance) P-C4' energy: -59.242 flat angles C4'-P-C4' energy: -64.082 flat angles P-C4'-P energy: -37.355 tors. eta vs tors. theta energy: -33.852 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: 2 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -491.893086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -491.893086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -491.893086 (E_RNA) where: Base-Base interactions energy: -293.353 where: short stacking energy: -152.795 Base-Backbone interact. energy: -0.778 local terms energy: -197.762964 where: bonds (distance) C4'-P energy: -51.065 bonds (distance) P-C4' energy: -64.503 flat angles C4'-P-C4' energy: -45.945 flat angles P-C4'-P energy: -22.048 tors. eta vs tors. theta energy: -14.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -419.829583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.829583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.829583 (E_RNA) where: Base-Base interactions energy: -217.185 where: short stacking energy: -122.991 Base-Backbone interact. energy: -1.296 local terms energy: -201.348802 where: bonds (distance) C4'-P energy: -54.381 bonds (distance) P-C4' energy: -55.708 flat angles C4'-P-C4' energy: -51.749 flat angles P-C4'-P energy: -33.564 tors. eta vs tors. theta energy: -5.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -1186.773335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.773335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.773335 (E_RNA) where: Base-Base interactions energy: -824.635 where: short stacking energy: -346.326 Base-Backbone interact. energy: -0.341 local terms energy: -361.797775 where: bonds (distance) C4'-P energy: -65.000 bonds (distance) P-C4' energy: -65.064 flat angles C4'-P-C4' energy: -77.341 flat angles P-C4'-P energy: -48.294 tors. eta vs tors. theta energy: -106.100 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: 10 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -1128.027589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.027589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.027589 (E_RNA) where: Base-Base interactions energy: -791.382 where: short stacking energy: -314.944 Base-Backbone interact. energy: -0.253 local terms energy: -336.392185 where: bonds (distance) C4'-P energy: -65.583 bonds (distance) P-C4' energy: -61.333 flat angles C4'-P-C4' energy: -67.435 flat angles P-C4'-P energy: -50.697 tors. eta vs tors. theta energy: -91.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -1108.261372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.261372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.261372 (E_RNA) where: Base-Base interactions energy: -782.878 where: short stacking energy: -310.965 Base-Backbone interact. energy: -2.354 local terms energy: -323.028663 where: bonds (distance) C4'-P energy: -62.718 bonds (distance) P-C4' energy: -56.481 flat angles C4'-P-C4' energy: -73.250 flat angles P-C4'-P energy: -47.636 tors. eta vs tors. theta energy: -82.943 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: 6 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -1007.848092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.848092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.848092 (E_RNA) where: Base-Base interactions energy: -672.469 where: short stacking energy: -290.821 Base-Backbone interact. energy: -0.316 local terms energy: -335.062358 where: bonds (distance) C4'-P energy: -69.003 bonds (distance) P-C4' energy: -59.838 flat angles C4'-P-C4' energy: -68.124 flat angles P-C4'-P energy: -56.961 tors. eta vs tors. theta energy: -81.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 407 Temperature: 1.100000 Total energy: -900.287785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.287785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.287785 (E_RNA) where: Base-Base interactions energy: -607.213 where: short stacking energy: -269.917 Base-Backbone interact. energy: 2.505 local terms energy: -295.580064 where: bonds (distance) C4'-P energy: -51.940 bonds (distance) P-C4' energy: -53.979 flat angles C4'-P-C4' energy: -64.862 flat angles P-C4'-P energy: -39.841 tors. eta vs tors. theta energy: -84.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -813.423156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.423156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.423156 (E_RNA) where: Base-Base interactions energy: -526.924 where: short stacking energy: -236.963 Base-Backbone interact. energy: -3.495 local terms energy: -283.003428 where: bonds (distance) C4'-P energy: -58.575 bonds (distance) P-C4' energy: -55.835 flat angles C4'-P-C4' energy: -72.364 flat angles P-C4'-P energy: -41.016 tors. eta vs tors. theta energy: -55.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -737.695625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -737.695625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -737.695625 (E_RNA) where: Base-Base interactions energy: -448.744 where: short stacking energy: -225.449 Base-Backbone interact. energy: -1.980 local terms energy: -286.971909 where: bonds (distance) C4'-P energy: -67.879 bonds (distance) P-C4' energy: -66.310 flat angles C4'-P-C4' energy: -53.262 flat angles P-C4'-P energy: -40.980 tors. eta vs tors. theta energy: -58.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -650.998024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -650.998024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -650.998024 (E_RNA) where: Base-Base interactions energy: -403.082 where: short stacking energy: -173.493 Base-Backbone interact. energy: -0.850 local terms energy: -247.066064 where: bonds (distance) C4'-P energy: -57.412 bonds (distance) P-C4' energy: -54.163 flat angles C4'-P-C4' energy: -64.371 flat angles P-C4'-P energy: -51.485 tors. eta vs tors. theta energy: -19.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -510.523594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -510.523594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -510.523594 (E_RNA) where: Base-Base interactions energy: -294.161 where: short stacking energy: -144.034 Base-Backbone interact. energy: -2.416 local terms energy: -213.946433 where: bonds (distance) C4'-P energy: -51.976 bonds (distance) P-C4' energy: -42.256 flat angles C4'-P-C4' energy: -61.871 flat angles P-C4'-P energy: -27.922 tors. eta vs tors. theta energy: -29.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -424.672244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.672244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.672244 (E_RNA) where: Base-Base interactions energy: -223.626 where: short stacking energy: -126.149 Base-Backbone interact. energy: -0.101 local terms energy: -200.945600 where: bonds (distance) C4'-P energy: -56.818 bonds (distance) P-C4' energy: -58.645 flat angles C4'-P-C4' energy: -52.212 flat angles P-C4'-P energy: -34.957 tors. eta vs tors. theta energy: 1.686 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: 8 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -1179.097840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.097840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.097840 (E_RNA) where: Base-Base interactions energy: -827.345 where: short stacking energy: -345.579 Base-Backbone interact. energy: -4.473 local terms energy: -347.280050 where: bonds (distance) C4'-P energy: -64.653 bonds (distance) P-C4' energy: -54.516 flat angles C4'-P-C4' energy: -81.657 flat angles P-C4'-P energy: -42.488 tors. eta vs tors. theta energy: -103.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -1112.474354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.474354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.474354 (E_RNA) where: Base-Base interactions energy: -795.816 where: short stacking energy: -300.752 Base-Backbone interact. energy: 3.220 local terms energy: -319.878944 where: bonds (distance) C4'-P energy: -64.507 bonds (distance) P-C4' energy: -62.859 flat angles C4'-P-C4' energy: -61.245 flat angles P-C4'-P energy: -50.529 tors. eta vs tors. theta energy: -80.738 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: 3, replica: 9 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -1109.791961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.791961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.791961 (E_RNA) where: Base-Base interactions energy: -769.258 where: short stacking energy: -303.623 Base-Backbone interact. energy: -2.041 local terms energy: -338.492984 where: bonds (distance) C4'-P energy: -55.856 bonds (distance) P-C4' energy: -64.994 flat angles C4'-P-C4' energy: -74.458 flat angles P-C4'-P energy: -50.499 tors. eta vs tors. theta energy: -92.687 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: 6 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -1028.510900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.510900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.510900 (E_RNA) where: Base-Base interactions energy: -693.749 where: short stacking energy: -306.291 Base-Backbone interact. energy: 0.915 local terms energy: -335.676850 where: bonds (distance) C4'-P energy: -56.038 bonds (distance) P-C4' energy: -66.623 flat angles C4'-P-C4' energy: -74.826 flat angles P-C4'-P energy: -47.218 tors. eta vs tors. theta energy: -90.972 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: 1 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -891.405699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -891.405699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -891.405699 (E_RNA) where: Base-Base interactions energy: -599.192 where: short stacking energy: -288.308 Base-Backbone interact. energy: -2.455 local terms energy: -289.758666 where: bonds (distance) C4'-P energy: -44.925 bonds (distance) P-C4' energy: -64.499 flat angles C4'-P-C4' energy: -60.809 flat angles P-C4'-P energy: -29.851 tors. eta vs tors. theta energy: -89.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -843.437243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -843.437243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -843.437243 (E_RNA) where: Base-Base interactions energy: -559.838 where: short stacking energy: -241.295 Base-Backbone interact. energy: 1.460 local terms energy: -285.059735 where: bonds (distance) C4'-P energy: -54.313 bonds (distance) P-C4' energy: -65.970 flat angles C4'-P-C4' energy: -69.976 flat angles P-C4'-P energy: -33.637 tors. eta vs tors. theta energy: -61.164 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: 3 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -773.132331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -773.132331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -773.132331 (E_RNA) where: Base-Base interactions energy: -490.133 where: short stacking energy: -191.484 Base-Backbone interact. energy: -1.549 local terms energy: -281.450782 where: bonds (distance) C4'-P energy: -63.152 bonds (distance) P-C4' energy: -62.678 flat angles C4'-P-C4' energy: -61.094 flat angles P-C4'-P energy: -43.871 tors. eta vs tors. theta energy: -50.656 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: 4 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -659.168361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.168361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.168361 (E_RNA) where: Base-Base interactions energy: -405.345 where: short stacking energy: -199.972 Base-Backbone interact. energy: -1.566 local terms energy: -252.258136 where: bonds (distance) C4'-P energy: -48.210 bonds (distance) P-C4' energy: -61.817 flat angles C4'-P-C4' energy: -62.182 flat angles P-C4'-P energy: -27.365 tors. eta vs tors. theta energy: -52.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -516.080063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.080063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.080063 (E_RNA) where: Base-Base interactions energy: -314.719 where: short stacking energy: -146.152 Base-Backbone interact. energy: 0.133 local terms energy: -201.494025 where: bonds (distance) C4'-P energy: -53.912 bonds (distance) P-C4' energy: -57.117 flat angles C4'-P-C4' energy: -39.260 flat angles P-C4'-P energy: -33.309 tors. eta vs tors. theta energy: -17.896 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -426.217135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.217135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.217135 (E_RNA) where: Base-Base interactions energy: -202.406 where: short stacking energy: -110.868 Base-Backbone interact. energy: -0.749 local terms energy: -223.062418 where: bonds (distance) C4'-P energy: -56.918 bonds (distance) P-C4' energy: -61.967 flat angles C4'-P-C4' energy: -63.569 flat angles P-C4'-P energy: -25.789 tors. eta vs tors. theta energy: -14.820 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: 1, replica: 8 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -1184.486370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.486370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.486370 (E_RNA) where: Base-Base interactions energy: -831.480 where: short stacking energy: -340.246 Base-Backbone interact. energy: -1.403 local terms energy: -351.603516 where: bonds (distance) C4'-P energy: -62.966 bonds (distance) P-C4' energy: -70.969 flat angles C4'-P-C4' energy: -75.652 flat angles P-C4'-P energy: -41.318 tors. eta vs tors. theta energy: -100.699 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: 10 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -1142.102996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.102996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.102996 (E_RNA) where: Base-Base interactions energy: -801.136 where: short stacking energy: -330.874 Base-Backbone interact. energy: -3.570 local terms energy: -337.397631 where: bonds (distance) C4'-P energy: -63.513 bonds (distance) P-C4' energy: -65.861 flat angles C4'-P-C4' energy: -77.598 flat angles P-C4'-P energy: -38.377 tors. eta vs tors. theta energy: -92.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -1125.309603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.309603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.309603 (E_RNA) where: Base-Base interactions energy: -810.213 where: short stacking energy: -326.477 Base-Backbone interact. energy: -1.954 local terms energy: -313.142873 where: bonds (distance) C4'-P energy: -62.401 bonds (distance) P-C4' energy: -53.458 flat angles C4'-P-C4' energy: -74.108 flat angles P-C4'-P energy: -37.293 tors. eta vs tors. theta energy: -85.882 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: 4, replica: 6 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -1019.291698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.291698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.291698 (E_RNA) where: Base-Base interactions energy: -686.010 where: short stacking energy: -311.756 Base-Backbone interact. energy: -0.710 local terms energy: -332.570807 where: bonds (distance) C4'-P energy: -54.204 bonds (distance) P-C4' energy: -69.970 flat angles C4'-P-C4' energy: -69.817 flat angles P-C4'-P energy: -49.887 tors. eta vs tors. theta energy: -88.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -904.504155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.504155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.504155 (E_RNA) where: Base-Base interactions energy: -586.534 where: short stacking energy: -256.356 Base-Backbone interact. energy: 1.697 local terms energy: -319.667665 where: bonds (distance) C4'-P energy: -57.365 bonds (distance) P-C4' energy: -76.681 flat angles C4'-P-C4' energy: -68.232 flat angles P-C4'-P energy: -42.133 tors. eta vs tors. theta energy: -75.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -853.179179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -853.179179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -853.179179 (E_RNA) where: Base-Base interactions energy: -577.997 where: short stacking energy: -255.619 Base-Backbone interact. energy: 2.893 local terms energy: -278.075279 where: bonds (distance) C4'-P energy: -53.820 bonds (distance) P-C4' energy: -73.184 flat angles C4'-P-C4' energy: -61.189 flat angles P-C4'-P energy: -31.396 tors. eta vs tors. theta energy: -58.485 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: 7, replica: 3 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -704.048595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -704.048595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -704.048595 (E_RNA) where: Base-Base interactions energy: -428.118 where: short stacking energy: -203.320 Base-Backbone interact. energy: -0.251 local terms energy: -275.679174 where: bonds (distance) C4'-P energy: -56.812 bonds (distance) P-C4' energy: -63.121 flat angles C4'-P-C4' energy: -60.734 flat angles P-C4'-P energy: -39.572 tors. eta vs tors. theta energy: -55.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -646.726693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.726693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.726693 (E_RNA) where: Base-Base interactions energy: -392.028 where: short stacking energy: -182.554 Base-Backbone interact. energy: -1.252 local terms energy: -253.446440 where: bonds (distance) C4'-P energy: -44.565 bonds (distance) P-C4' energy: -62.911 flat angles C4'-P-C4' energy: -56.751 flat angles P-C4'-P energy: -48.445 tors. eta vs tors. theta energy: -40.774 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: 2 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -555.985772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -555.985772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -555.985772 (E_RNA) where: Base-Base interactions energy: -342.442 where: short stacking energy: -169.368 Base-Backbone interact. energy: 1.669 local terms energy: -215.212556 where: bonds (distance) C4'-P energy: -43.905 bonds (distance) P-C4' energy: -51.542 flat angles C4'-P-C4' energy: -58.533 flat angles P-C4'-P energy: -37.163 tors. eta vs tors. theta energy: -24.070 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: 10, replica: 7 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -426.519372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.519372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.519372 (E_RNA) where: Base-Base interactions energy: -216.138 where: short stacking energy: -126.020 Base-Backbone interact. energy: -0.132 local terms energy: -210.249361 where: bonds (distance) C4'-P energy: -56.144 bonds (distance) P-C4' energy: -53.144 flat angles C4'-P-C4' energy: -51.081 flat angles P-C4'-P energy: -41.847 tors. eta vs tors. theta energy: -8.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -1183.821747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1183.821747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1183.821747 (E_RNA) where: Base-Base interactions energy: -835.445 where: short stacking energy: -319.354 Base-Backbone interact. energy: 1.213 local terms energy: -349.589264 where: bonds (distance) C4'-P energy: -57.351 bonds (distance) P-C4' energy: -72.802 flat angles C4'-P-C4' energy: -72.019 flat angles P-C4'-P energy: -44.526 tors. eta vs tors. theta energy: -102.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -1144.821098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.821098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.821098 (E_RNA) where: Base-Base interactions energy: -816.774 where: short stacking energy: -322.718 Base-Backbone interact. energy: -3.232 local terms energy: -324.814552 where: bonds (distance) C4'-P energy: -55.820 bonds (distance) P-C4' energy: -58.707 flat angles C4'-P-C4' energy: -64.021 flat angles P-C4'-P energy: -58.787 tors. eta vs tors. theta energy: -87.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -1123.825824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.825824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.825824 (E_RNA) where: Base-Base interactions energy: -774.620 where: short stacking energy: -315.153 Base-Backbone interact. energy: -0.637 local terms energy: -348.568853 where: bonds (distance) C4'-P energy: -64.215 bonds (distance) P-C4' energy: -75.731 flat angles C4'-P-C4' energy: -69.599 flat angles P-C4'-P energy: -42.309 tors. eta vs tors. theta energy: -96.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -1041.819971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.819971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.819971 (E_RNA) where: Base-Base interactions energy: -696.129 where: short stacking energy: -327.396 Base-Backbone interact. energy: 4.667 local terms energy: -350.357876 where: bonds (distance) C4'-P energy: -66.557 bonds (distance) P-C4' energy: -70.555 flat angles C4'-P-C4' energy: -70.130 flat angles P-C4'-P energy: -47.701 tors. eta vs tors. theta energy: -95.415 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: 5, replica: 1 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -941.013500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.013500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.013500 (E_RNA) where: Base-Base interactions energy: -629.223 where: short stacking energy: -291.249 Base-Backbone interact. energy: -0.846 local terms energy: -310.944044 where: bonds (distance) C4'-P energy: -58.531 bonds (distance) P-C4' energy: -56.116 flat angles C4'-P-C4' energy: -74.782 flat angles P-C4'-P energy: -39.049 tors. eta vs tors. theta energy: -82.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -847.346651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.346651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.346651 (E_RNA) where: Base-Base interactions energy: -562.111 where: short stacking energy: -251.562 Base-Backbone interact. energy: -2.760 local terms energy: -282.475358 where: bonds (distance) C4'-P energy: -59.650 bonds (distance) P-C4' energy: -54.621 flat angles C4'-P-C4' energy: -63.619 flat angles P-C4'-P energy: -42.874 tors. eta vs tors. theta energy: -61.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -688.071280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.071280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.071280 (E_RNA) where: Base-Base interactions energy: -441.560 where: short stacking energy: -189.636 Base-Backbone interact. energy: 0.700 local terms energy: -247.211317 where: bonds (distance) C4'-P energy: -61.654 bonds (distance) P-C4' energy: -50.879 flat angles C4'-P-C4' energy: -52.406 flat angles P-C4'-P energy: -38.313 tors. eta vs tors. theta energy: -43.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -670.674145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.674145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.674145 (E_RNA) where: Base-Base interactions energy: -448.078 where: short stacking energy: -180.054 Base-Backbone interact. energy: 1.437 local terms energy: -224.033390 where: bonds (distance) C4'-P energy: -60.019 bonds (distance) P-C4' energy: -44.175 flat angles C4'-P-C4' energy: -54.218 flat angles P-C4'-P energy: -22.040 tors. eta vs tors. theta energy: -43.581 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: 410 Temperature: 1.300000 Total energy: -520.512489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.512489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.512489 (E_RNA) where: Base-Base interactions energy: -306.489 where: short stacking energy: -142.482 Base-Backbone interact. energy: -0.000 local terms energy: -214.022738 where: bonds (distance) C4'-P energy: -58.883 bonds (distance) P-C4' energy: -62.557 flat angles C4'-P-C4' energy: -45.816 flat angles P-C4'-P energy: -31.779 tors. eta vs tors. theta energy: -14.988 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: 7 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -418.305714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.305714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.305714 (E_RNA) where: Base-Base interactions energy: -218.452 where: short stacking energy: -120.048 Base-Backbone interact. energy: 0.531 local terms energy: -200.384908 where: bonds (distance) C4'-P energy: -47.202 bonds (distance) P-C4' energy: -60.281 flat angles C4'-P-C4' energy: -45.575 flat angles P-C4'-P energy: -29.579 tors. eta vs tors. theta energy: -17.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 411 Temperature: 0.900000 Total energy: -1203.090505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.090505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.090505 (E_RNA) where: Base-Base interactions energy: -849.819 where: short stacking energy: -342.790 Base-Backbone interact. energy: -1.253 local terms energy: -352.018245 where: bonds (distance) C4'-P energy: -56.754 bonds (distance) P-C4' energy: -69.691 flat angles C4'-P-C4' energy: -73.516 flat angles P-C4'-P energy: -48.935 tors. eta vs tors. theta energy: -103.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -1133.867018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.867018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.867018 (E_RNA) where: Base-Base interactions energy: -805.070 where: short stacking energy: -315.783 Base-Backbone interact. energy: -0.935 local terms energy: -327.861702 where: bonds (distance) C4'-P energy: -64.414 bonds (distance) P-C4' energy: -57.909 flat angles C4'-P-C4' energy: -74.200 flat angles P-C4'-P energy: -45.565 tors. eta vs tors. theta energy: -85.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -1123.471960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.471960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.471960 (E_RNA) where: Base-Base interactions energy: -771.491 where: short stacking energy: -316.773 Base-Backbone interact. energy: -1.912 local terms energy: -350.069300 where: bonds (distance) C4'-P energy: -66.470 bonds (distance) P-C4' energy: -63.583 flat angles C4'-P-C4' energy: -72.613 flat angles P-C4'-P energy: -50.667 tors. eta vs tors. theta energy: -96.737 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: 6 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -1048.517175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1048.517175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1048.517175 (E_RNA) where: Base-Base interactions energy: -700.116 where: short stacking energy: -322.453 Base-Backbone interact. energy: -2.549 local terms energy: -345.851680 where: bonds (distance) C4'-P energy: -56.001 bonds (distance) P-C4' energy: -63.188 flat angles C4'-P-C4' energy: -76.593 flat angles P-C4'-P energy: -52.413 tors. eta vs tors. theta energy: -97.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -926.318060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.318060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.318060 (E_RNA) where: Base-Base interactions energy: -610.569 where: short stacking energy: -272.506 Base-Backbone interact. energy: 0.281 local terms energy: -316.029390 where: bonds (distance) C4'-P energy: -60.592 bonds (distance) P-C4' energy: -71.041 flat angles C4'-P-C4' energy: -64.530 flat angles P-C4'-P energy: -38.382 tors. eta vs tors. theta energy: -81.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -846.980149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -846.980149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -846.980149 (E_RNA) where: Base-Base interactions energy: -549.821 where: short stacking energy: -233.234 Base-Backbone interact. energy: -1.019 local terms energy: -296.139443 where: bonds (distance) C4'-P energy: -59.416 bonds (distance) P-C4' energy: -58.468 flat angles C4'-P-C4' energy: -63.712 flat angles P-C4'-P energy: -44.167 tors. eta vs tors. theta energy: -70.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -706.676561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.676561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.676561 (E_RNA) where: Base-Base interactions energy: -454.665 where: short stacking energy: -207.189 Base-Backbone interact. energy: -2.008 local terms energy: -250.003675 where: bonds (distance) C4'-P energy: -52.792 bonds (distance) P-C4' energy: -54.564 flat angles C4'-P-C4' energy: -59.524 flat angles P-C4'-P energy: -33.217 tors. eta vs tors. theta energy: -49.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -655.720693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.720693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.720693 (E_RNA) where: Base-Base interactions energy: -423.365 where: short stacking energy: -197.738 Base-Backbone interact. energy: 2.213 local terms energy: -234.568528 where: bonds (distance) C4'-P energy: -58.768 bonds (distance) P-C4' energy: -64.587 flat angles C4'-P-C4' energy: -51.190 flat angles P-C4'-P energy: -36.369 tors. eta vs tors. theta energy: -23.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -543.276217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -543.276217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -543.276217 (E_RNA) where: Base-Base interactions energy: -339.332 where: short stacking energy: -158.501 Base-Backbone interact. energy: 1.889 local terms energy: -205.832668 where: bonds (distance) C4'-P energy: -58.311 bonds (distance) P-C4' energy: -36.428 flat angles C4'-P-C4' energy: -63.097 flat angles P-C4'-P energy: -21.234 tors. eta vs tors. theta energy: -26.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -419.681552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -419.681552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -419.681552 (E_RNA) where: Base-Base interactions energy: -208.737 where: short stacking energy: -117.432 Base-Backbone interact. energy: 0.071 local terms energy: -211.015716 where: bonds (distance) C4'-P energy: -50.777 bonds (distance) P-C4' energy: -60.125 flat angles C4'-P-C4' energy: -56.777 flat angles P-C4'-P energy: -28.549 tors. eta vs tors. theta energy: -14.788 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: 8 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -1201.161720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.161720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.161720 (E_RNA) where: Base-Base interactions energy: -834.519 where: short stacking energy: -341.101 Base-Backbone interact. energy: -0.984 local terms energy: -365.659062 where: bonds (distance) C4'-P energy: -65.042 bonds (distance) P-C4' energy: -62.328 flat angles C4'-P-C4' energy: -79.580 flat angles P-C4'-P energy: -51.333 tors. eta vs tors. theta energy: -107.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -1153.285655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.285655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.285655 (E_RNA) where: Base-Base interactions energy: -823.780 where: short stacking energy: -297.047 Base-Backbone interact. energy: -2.634 local terms energy: -326.871478 where: bonds (distance) C4'-P energy: -65.116 bonds (distance) P-C4' energy: -65.625 flat angles C4'-P-C4' energy: -58.786 flat angles P-C4'-P energy: -51.793 tors. eta vs tors. theta energy: -85.552 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: 3, replica: 9 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -1103.896904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.896904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.896904 (E_RNA) where: Base-Base interactions energy: -771.200 where: short stacking energy: -305.590 Base-Backbone interact. energy: -0.240 local terms energy: -332.457390 where: bonds (distance) C4'-P energy: -57.950 bonds (distance) P-C4' energy: -64.891 flat angles C4'-P-C4' energy: -71.551 flat angles P-C4'-P energy: -55.414 tors. eta vs tors. theta energy: -82.651 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: 6 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -1024.108662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.108662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.108662 (E_RNA) where: Base-Base interactions energy: -698.233 where: short stacking energy: -323.720 Base-Backbone interact. energy: -0.178 local terms energy: -325.697381 where: bonds (distance) C4'-P energy: -60.980 bonds (distance) P-C4' energy: -49.673 flat angles C4'-P-C4' energy: -76.116 flat angles P-C4'-P energy: -42.806 tors. eta vs tors. theta energy: -96.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -882.332478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -882.332478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -882.332478 (E_RNA) where: Base-Base interactions energy: -581.656 where: short stacking energy: -272.976 Base-Backbone interact. energy: -1.669 local terms energy: -299.006984 where: bonds (distance) C4'-P energy: -60.569 bonds (distance) P-C4' energy: -56.754 flat angles C4'-P-C4' energy: -64.942 flat angles P-C4'-P energy: -48.553 tors. eta vs tors. theta energy: -68.190 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: 6, replica: 5 ===================================== Write number: 412 Temperature: 1.150000 Total energy: -810.805017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -810.805017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -810.805017 (E_RNA) where: Base-Base interactions energy: -546.373 where: short stacking energy: -235.049 Base-Backbone interact. energy: 0.766 local terms energy: -265.198008 where: bonds (distance) C4'-P energy: -52.875 bonds (distance) P-C4' energy: -63.079 flat angles C4'-P-C4' energy: -62.029 flat angles P-C4'-P energy: -39.629 tors. eta vs tors. theta energy: -47.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -716.030979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -716.030979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -716.030979 (E_RNA) where: Base-Base interactions energy: -464.055 where: short stacking energy: -195.554 Base-Backbone interact. energy: -0.692 local terms energy: -251.284061 where: bonds (distance) C4'-P energy: -59.020 bonds (distance) P-C4' energy: -60.828 flat angles C4'-P-C4' energy: -49.836 flat angles P-C4'-P energy: -41.421 tors. eta vs tors. theta energy: -40.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -641.554122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -641.554122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -641.554122 (E_RNA) where: Base-Base interactions energy: -401.813 where: short stacking energy: -176.581 Base-Backbone interact. energy: -1.749 local terms energy: -237.992171 where: bonds (distance) C4'-P energy: -52.573 bonds (distance) P-C4' energy: -54.256 flat angles C4'-P-C4' energy: -58.784 flat angles P-C4'-P energy: -35.959 tors. eta vs tors. theta energy: -36.420 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -536.153179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.153179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.153179 (E_RNA) where: Base-Base interactions energy: -321.843 where: short stacking energy: -160.841 Base-Backbone interact. energy: 9.184 local terms energy: -223.494774 where: bonds (distance) C4'-P energy: -52.701 bonds (distance) P-C4' energy: -47.508 flat angles C4'-P-C4' energy: -56.435 flat angles P-C4'-P energy: -32.445 tors. eta vs tors. theta energy: -34.406 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: 10, replica: 7 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -418.267554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.267554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.267554 (E_RNA) where: Base-Base interactions energy: -219.405 where: short stacking energy: -120.749 Base-Backbone interact. energy: 0.760 local terms energy: -199.623013 where: bonds (distance) C4'-P energy: -58.236 bonds (distance) P-C4' energy: -62.295 flat angles C4'-P-C4' energy: -37.751 flat angles P-C4'-P energy: -32.082 tors. eta vs tors. theta energy: -9.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -1198.514289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.514289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.514289 (E_RNA) where: Base-Base interactions energy: -828.670 where: short stacking energy: -335.781 Base-Backbone interact. energy: -3.053 local terms energy: -366.791542 where: bonds (distance) C4'-P energy: -66.717 bonds (distance) P-C4' energy: -76.175 flat angles C4'-P-C4' energy: -75.607 flat angles P-C4'-P energy: -46.773 tors. eta vs tors. theta energy: -101.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -1142.626419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1142.626419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1142.626419 (E_RNA) where: Base-Base interactions energy: -805.413 where: short stacking energy: -317.481 Base-Backbone interact. energy: -3.767 local terms energy: -333.445927 where: bonds (distance) C4'-P energy: -65.862 bonds (distance) P-C4' energy: -64.684 flat angles C4'-P-C4' energy: -65.267 flat angles P-C4'-P energy: -46.461 tors. eta vs tors. theta energy: -91.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -1114.571809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1114.571809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1114.571809 (E_RNA) where: Base-Base interactions energy: -785.633 where: short stacking energy: -328.139 Base-Backbone interact. energy: 0.355 local terms energy: -329.293981 where: bonds (distance) C4'-P energy: -51.518 bonds (distance) P-C4' energy: -67.860 flat angles C4'-P-C4' energy: -71.331 flat angles P-C4'-P energy: -39.460 tors. eta vs tors. theta energy: -99.125 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: 6 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -1014.839006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.839006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.839006 (E_RNA) where: Base-Base interactions energy: -695.047 where: short stacking energy: -309.028 Base-Backbone interact. energy: -1.059 local terms energy: -318.733157 where: bonds (distance) C4'-P energy: -61.579 bonds (distance) P-C4' energy: -47.954 flat angles C4'-P-C4' energy: -69.188 flat angles P-C4'-P energy: -47.712 tors. eta vs tors. theta energy: -92.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -877.231661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -877.231661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -877.231661 (E_RNA) where: Base-Base interactions energy: -561.527 where: short stacking energy: -239.979 Base-Backbone interact. energy: -0.550 local terms energy: -315.154328 where: bonds (distance) C4'-P energy: -75.778 bonds (distance) P-C4' energy: -78.300 flat angles C4'-P-C4' energy: -56.649 flat angles P-C4'-P energy: -35.436 tors. eta vs tors. theta energy: -68.992 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: 6, replica: 5 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -839.647182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -839.647182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -839.647182 (E_RNA) where: Base-Base interactions energy: -540.759 where: short stacking energy: -231.444 Base-Backbone interact. energy: -1.808 local terms energy: -297.079406 where: bonds (distance) C4'-P energy: -61.763 bonds (distance) P-C4' energy: -52.456 flat angles C4'-P-C4' energy: -75.295 flat angles P-C4'-P energy: -40.557 tors. eta vs tors. theta energy: -67.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -703.169978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.169978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.169978 (E_RNA) where: Base-Base interactions energy: -443.570 where: short stacking energy: -188.306 Base-Backbone interact. energy: -1.096 local terms energy: -258.503294 where: bonds (distance) C4'-P energy: -47.308 bonds (distance) P-C4' energy: -54.925 flat angles C4'-P-C4' energy: -62.775 flat angles P-C4'-P energy: -43.950 tors. eta vs tors. theta energy: -49.547 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: 8, replica: 3 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -674.248944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -674.248944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -674.248944 (E_RNA) where: Base-Base interactions energy: -440.424 where: short stacking energy: -197.947 Base-Backbone interact. energy: -2.333 local terms energy: -231.492858 where: bonds (distance) C4'-P energy: -47.643 bonds (distance) P-C4' energy: -55.636 flat angles C4'-P-C4' energy: -55.410 flat angles P-C4'-P energy: -35.069 tors. eta vs tors. theta energy: -37.735 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: 2 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -516.808347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -516.808347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -516.808347 (E_RNA) where: Base-Base interactions energy: -311.430 where: short stacking energy: -161.271 Base-Backbone interact. energy: -3.107 local terms energy: -202.271389 where: bonds (distance) C4'-P energy: -51.911 bonds (distance) P-C4' energy: -59.681 flat angles C4'-P-C4' energy: -45.412 flat angles P-C4'-P energy: -16.810 tors. eta vs tors. theta energy: -28.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -429.153170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.153170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.153170 (E_RNA) where: Base-Base interactions energy: -222.312 where: short stacking energy: -121.683 Base-Backbone interact. energy: 2.049 local terms energy: -208.890827 where: bonds (distance) C4'-P energy: -58.466 bonds (distance) P-C4' energy: -49.078 flat angles C4'-P-C4' energy: -62.418 flat angles P-C4'-P energy: -25.526 tors. eta vs tors. theta energy: -13.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -1192.425831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.425831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.425831 (E_RNA) where: Base-Base interactions energy: -831.292 where: short stacking energy: -342.554 Base-Backbone interact. energy: -1.339 local terms energy: -359.794903 where: bonds (distance) C4'-P energy: -57.941 bonds (distance) P-C4' energy: -67.700 flat angles C4'-P-C4' energy: -76.705 flat angles P-C4'-P energy: -56.509 tors. eta vs tors. theta energy: -100.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -1149.383502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.383502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.383502 (E_RNA) where: Base-Base interactions energy: -814.802 where: short stacking energy: -329.451 Base-Backbone interact. energy: -2.576 local terms energy: -332.005448 where: bonds (distance) C4'-P energy: -58.838 bonds (distance) P-C4' energy: -70.100 flat angles C4'-P-C4' energy: -67.490 flat angles P-C4'-P energy: -45.171 tors. eta vs tors. theta energy: -90.406 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: 9 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -1090.964251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.964251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.964251 (E_RNA) where: Base-Base interactions energy: -767.664 where: short stacking energy: -296.353 Base-Backbone interact. energy: -1.605 local terms energy: -321.695299 where: bonds (distance) C4'-P energy: -59.006 bonds (distance) P-C4' energy: -60.828 flat angles C4'-P-C4' energy: -72.898 flat angles P-C4'-P energy: -45.866 tors. eta vs tors. theta energy: -83.098 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: 4, replica: 6 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -1028.912686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1028.912686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1028.912686 (E_RNA) where: Base-Base interactions energy: -685.754 where: short stacking energy: -308.162 Base-Backbone interact. energy: -1.122 local terms energy: -342.036827 where: bonds (distance) C4'-P energy: -65.034 bonds (distance) P-C4' energy: -63.147 flat angles C4'-P-C4' energy: -70.320 flat angles P-C4'-P energy: -43.897 tors. eta vs tors. theta energy: -99.640 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: 414 Temperature: 1.100000 Total energy: -929.891055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.891055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.891055 (E_RNA) where: Base-Base interactions energy: -638.790 where: short stacking energy: -252.137 Base-Backbone interact. energy: -2.304 local terms energy: -288.796881 where: bonds (distance) C4'-P energy: -54.624 bonds (distance) P-C4' energy: -60.446 flat angles C4'-P-C4' energy: -57.539 flat angles P-C4'-P energy: -39.056 tors. eta vs tors. theta energy: -77.132 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: 6, replica: 5 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -828.728891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -828.728891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -828.728891 (E_RNA) where: Base-Base interactions energy: -538.971 where: short stacking energy: -245.752 Base-Backbone interact. energy: -3.544 local terms energy: -286.214416 where: bonds (distance) C4'-P energy: -64.409 bonds (distance) P-C4' energy: -49.606 flat angles C4'-P-C4' energy: -58.835 flat angles P-C4'-P energy: -49.157 tors. eta vs tors. theta energy: -64.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -696.323363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -696.323363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -696.323363 (E_RNA) where: Base-Base interactions energy: -434.205 where: short stacking energy: -188.621 Base-Backbone interact. energy: 1.058 local terms energy: -263.176291 where: bonds (distance) C4'-P energy: -58.542 bonds (distance) P-C4' energy: -62.455 flat angles C4'-P-C4' energy: -58.401 flat angles P-C4'-P energy: -43.579 tors. eta vs tors. theta energy: -40.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -691.744684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.744684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.744684 (E_RNA) where: Base-Base interactions energy: -438.514 where: short stacking energy: -191.549 Base-Backbone interact. energy: -0.574 local terms energy: -252.657441 where: bonds (distance) C4'-P energy: -41.805 bonds (distance) P-C4' energy: -57.186 flat angles C4'-P-C4' energy: -61.262 flat angles P-C4'-P energy: -47.131 tors. eta vs tors. theta energy: -45.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -450.840960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -450.840960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -450.840960 (E_RNA) where: Base-Base interactions energy: -245.593 where: short stacking energy: -138.996 Base-Backbone interact. energy: -0.746 local terms energy: -204.501823 where: bonds (distance) C4'-P energy: -51.862 bonds (distance) P-C4' energy: -54.332 flat angles C4'-P-C4' energy: -54.405 flat angles P-C4'-P energy: -33.229 tors. eta vs tors. theta energy: -10.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -527.454318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -527.454318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -527.454318 (E_RNA) where: Base-Base interactions energy: -322.349 where: short stacking energy: -157.628 Base-Backbone interact. energy: 1.404 local terms energy: -206.508693 where: bonds (distance) C4'-P energy: -60.878 bonds (distance) P-C4' energy: -39.558 flat angles C4'-P-C4' energy: -51.405 flat angles P-C4'-P energy: -32.378 tors. eta vs tors. theta energy: -22.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -1202.662096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.662096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.662096 (E_RNA) where: Base-Base interactions energy: -832.108 where: short stacking energy: -353.545 Base-Backbone interact. energy: -1.482 local terms energy: -369.072181 where: bonds (distance) C4'-P energy: -66.280 bonds (distance) P-C4' energy: -73.765 flat angles C4'-P-C4' energy: -77.655 flat angles P-C4'-P energy: -42.877 tors. eta vs tors. theta energy: -108.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -1144.090258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.090258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.090258 (E_RNA) where: Base-Base interactions energy: -810.012 where: short stacking energy: -312.724 Base-Backbone interact. energy: 0.465 local terms energy: -334.542510 where: bonds (distance) C4'-P energy: -55.603 bonds (distance) P-C4' energy: -70.759 flat angles C4'-P-C4' energy: -72.817 flat angles P-C4'-P energy: -52.783 tors. eta vs tors. theta energy: -82.581 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: 3, replica: 9 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -1100.513057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.513057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.513057 (E_RNA) where: Base-Base interactions energy: -759.761 where: short stacking energy: -319.791 Base-Backbone interact. energy: -0.121 local terms energy: -340.631625 where: bonds (distance) C4'-P energy: -69.937 bonds (distance) P-C4' energy: -64.954 flat angles C4'-P-C4' energy: -69.123 flat angles P-C4'-P energy: -44.758 tors. eta vs tors. theta energy: -91.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -1016.959244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1016.959244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1016.959244 (E_RNA) where: Base-Base interactions energy: -686.819 where: short stacking energy: -305.325 Base-Backbone interact. energy: -0.512 local terms energy: -329.628765 where: bonds (distance) C4'-P energy: -55.036 bonds (distance) P-C4' energy: -47.590 flat angles C4'-P-C4' energy: -76.207 flat angles P-C4'-P energy: -55.191 tors. eta vs tors. theta energy: -95.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -975.519707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.519707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.519707 (E_RNA) where: Base-Base interactions energy: -672.350 where: short stacking energy: -299.598 Base-Backbone interact. energy: 2.678 local terms energy: -305.847806 where: bonds (distance) C4'-P energy: -47.963 bonds (distance) P-C4' energy: -58.962 flat angles C4'-P-C4' energy: -71.646 flat angles P-C4'-P energy: -41.604 tors. eta vs tors. theta energy: -85.673 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: 6, replica: 5 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -844.497841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.497841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.497841 (E_RNA) where: Base-Base interactions energy: -546.152 where: short stacking energy: -256.159 Base-Backbone interact. energy: -1.177 local terms energy: -297.168697 where: bonds (distance) C4'-P energy: -55.584 bonds (distance) P-C4' energy: -63.562 flat angles C4'-P-C4' energy: -73.321 flat angles P-C4'-P energy: -34.075 tors. eta vs tors. theta energy: -70.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -663.080335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.080335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.080335 (E_RNA) where: Base-Base interactions energy: -425.383 where: short stacking energy: -207.562 Base-Backbone interact. energy: 0.595 local terms energy: -238.292556 where: bonds (distance) C4'-P energy: -56.696 bonds (distance) P-C4' energy: -64.688 flat angles C4'-P-C4' energy: -57.008 flat angles P-C4'-P energy: -24.410 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: 8, replica: 3 ===================================== Write number: 415 Temperature: 1.250000 Total energy: -659.830331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.830331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.830331 (E_RNA) where: Base-Base interactions energy: -397.316 where: short stacking energy: -173.956 Base-Backbone interact. energy: -0.699 local terms energy: -261.815469 where: bonds (distance) C4'-P energy: -57.437 bonds (distance) P-C4' energy: -64.903 flat angles C4'-P-C4' energy: -59.308 flat angles P-C4'-P energy: -41.329 tors. eta vs tors. theta energy: -38.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -457.804733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -457.804733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -457.804733 (E_RNA) where: Base-Base interactions energy: -244.962 where: short stacking energy: -139.559 Base-Backbone interact. energy: 0.792 local terms energy: -213.633948 where: bonds (distance) C4'-P energy: -53.286 bonds (distance) P-C4' energy: -53.229 flat angles C4'-P-C4' energy: -51.523 flat angles P-C4'-P energy: -34.494 tors. eta vs tors. theta energy: -21.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -537.207939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.207939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.207939 (E_RNA) where: Base-Base interactions energy: -322.047 where: short stacking energy: -149.456 Base-Backbone interact. energy: -3.329 local terms energy: -211.831265 where: bonds (distance) C4'-P energy: -53.226 bonds (distance) P-C4' energy: -63.624 flat angles C4'-P-C4' energy: -51.686 flat angles P-C4'-P energy: -31.735 tors. eta vs tors. theta energy: -11.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -1203.825927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.825927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.825927 (E_RNA) where: Base-Base interactions energy: -852.868 where: short stacking energy: -349.452 Base-Backbone interact. energy: -1.585 local terms energy: -349.372812 where: bonds (distance) C4'-P energy: -54.846 bonds (distance) P-C4' energy: -75.718 flat angles C4'-P-C4' energy: -74.229 flat angles P-C4'-P energy: -43.640 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: 2, replica: 10 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -1158.142422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1158.142422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1158.142422 (E_RNA) where: Base-Base interactions energy: -819.732 where: short stacking energy: -318.305 Base-Backbone interact. energy: -0.749 local terms energy: -337.660641 where: bonds (distance) C4'-P energy: -61.056 bonds (distance) P-C4' energy: -75.406 flat angles C4'-P-C4' energy: -62.000 flat angles P-C4'-P energy: -43.025 tors. eta vs tors. theta energy: -96.174 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: 3, replica: 9 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -1099.601160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.601160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.601160 (E_RNA) where: Base-Base interactions energy: -771.261 where: short stacking energy: -313.298 Base-Backbone interact. energy: -3.217 local terms energy: -325.123569 where: bonds (distance) C4'-P energy: -46.935 bonds (distance) P-C4' energy: -70.142 flat angles C4'-P-C4' energy: -78.833 flat angles P-C4'-P energy: -47.038 tors. eta vs tors. theta energy: -82.176 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: 4, replica: 6 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -1034.896604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1034.896604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1034.896604 (E_RNA) where: Base-Base interactions energy: -691.110 where: short stacking energy: -314.826 Base-Backbone interact. energy: -0.057 local terms energy: -343.729594 where: bonds (distance) C4'-P energy: -63.669 bonds (distance) P-C4' energy: -59.536 flat angles C4'-P-C4' energy: -72.579 flat angles P-C4'-P energy: -52.744 tors. eta vs tors. theta energy: -95.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -939.910834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.910834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.910834 (E_RNA) where: Base-Base interactions energy: -636.469 where: short stacking energy: -268.549 Base-Backbone interact. energy: -0.718 local terms energy: -302.723494 where: bonds (distance) C4'-P energy: -50.323 bonds (distance) P-C4' energy: -61.701 flat angles C4'-P-C4' energy: -74.256 flat angles P-C4'-P energy: -42.845 tors. eta vs tors. theta energy: -73.599 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: 5 ===================================== Write number: 416 Temperature: 1.150000 Total energy: -844.361312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -844.361312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -844.361312 (E_RNA) where: Base-Base interactions energy: -569.805 where: short stacking energy: -229.709 Base-Backbone interact. energy: -1.494 local terms energy: -273.061482 where: bonds (distance) C4'-P energy: -56.763 bonds (distance) P-C4' energy: -46.211 flat angles C4'-P-C4' energy: -69.080 flat angles P-C4'-P energy: -36.426 tors. eta vs tors. theta energy: -64.581 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: 416 Temperature: 1.200000 Total energy: -682.975010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.975010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.975010 (E_RNA) where: Base-Base interactions energy: -426.779 where: short stacking energy: -203.942 Base-Backbone interact. energy: 1.663 local terms energy: -257.859441 where: bonds (distance) C4'-P energy: -56.894 bonds (distance) P-C4' energy: -58.730 flat angles C4'-P-C4' energy: -62.351 flat angles P-C4'-P energy: -32.042 tors. eta vs tors. theta energy: -47.841 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: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -657.114753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -657.114753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -657.114753 (E_RNA) where: Base-Base interactions energy: -415.052 where: short stacking energy: -188.782 Base-Backbone interact. energy: -2.392 local terms energy: -239.671241 where: bonds (distance) C4'-P energy: -55.410 bonds (distance) P-C4' energy: -57.412 flat angles C4'-P-C4' energy: -48.496 flat angles P-C4'-P energy: -36.234 tors. eta vs tors. theta energy: -42.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -544.358171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -544.358171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -544.358171 (E_RNA) where: Base-Base interactions energy: -311.458 where: short stacking energy: -159.908 Base-Backbone interact. energy: 0.724 local terms energy: -233.623787 where: bonds (distance) C4'-P energy: -64.378 bonds (distance) P-C4' energy: -61.890 flat angles C4'-P-C4' energy: -49.183 flat angles P-C4'-P energy: -33.176 tors. eta vs tors. theta energy: -24.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -415.257214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.257214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.257214 (E_RNA) where: Base-Base interactions energy: -216.049 where: short stacking energy: -128.961 Base-Backbone interact. energy: -1.345 local terms energy: -197.863756 where: bonds (distance) C4'-P energy: -49.863 bonds (distance) P-C4' energy: -61.027 flat angles C4'-P-C4' energy: -47.388 flat angles P-C4'-P energy: -24.725 tors. eta vs tors. theta energy: -14.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -1202.351195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1202.351195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1202.351195 (E_RNA) where: Base-Base interactions energy: -828.505 where: short stacking energy: -337.994 Base-Backbone interact. energy: 0.516 local terms energy: -374.362753 where: bonds (distance) C4'-P energy: -65.375 bonds (distance) P-C4' energy: -72.314 flat angles C4'-P-C4' energy: -75.353 flat angles P-C4'-P energy: -52.921 tors. eta vs tors. theta energy: -108.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -1153.833487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1153.833487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1153.833487 (E_RNA) where: Base-Base interactions energy: -826.652 where: short stacking energy: -335.713 Base-Backbone interact. energy: 1.690 local terms energy: -328.871436 where: bonds (distance) C4'-P energy: -61.751 bonds (distance) P-C4' energy: -62.682 flat angles C4'-P-C4' energy: -68.729 flat angles P-C4'-P energy: -37.527 tors. eta vs tors. theta energy: -98.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -1123.204950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.204950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.204950 (E_RNA) where: Base-Base interactions energy: -785.611 where: short stacking energy: -318.699 Base-Backbone interact. energy: -0.641 local terms energy: -336.952650 where: bonds (distance) C4'-P energy: -58.890 bonds (distance) P-C4' energy: -60.703 flat angles C4'-P-C4' energy: -65.288 flat angles P-C4'-P energy: -57.234 tors. eta vs tors. theta energy: -94.837 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: 6 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -993.690835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -993.690835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -993.690835 (E_RNA) where: Base-Base interactions energy: -647.701 where: short stacking energy: -299.910 Base-Backbone interact. energy: -0.199 local terms energy: -345.790307 where: bonds (distance) C4'-P energy: -66.123 bonds (distance) P-C4' energy: -59.751 flat angles C4'-P-C4' energy: -74.848 flat angles P-C4'-P energy: -51.942 tors. eta vs tors. theta energy: -93.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -938.551759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.551759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.551759 (E_RNA) where: Base-Base interactions energy: -631.818 where: short stacking energy: -272.345 Base-Backbone interact. energy: -0.777 local terms energy: -305.956481 where: bonds (distance) C4'-P energy: -52.588 bonds (distance) P-C4' energy: -59.503 flat angles C4'-P-C4' energy: -59.998 flat angles P-C4'-P energy: -52.312 tors. eta vs tors. theta energy: -81.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -896.909504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -896.909504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -896.909504 (E_RNA) where: Base-Base interactions energy: -593.826 where: short stacking energy: -252.412 Base-Backbone interact. energy: -0.898 local terms energy: -302.185232 where: bonds (distance) C4'-P energy: -58.464 bonds (distance) P-C4' energy: -61.208 flat angles C4'-P-C4' energy: -63.919 flat angles P-C4'-P energy: -46.300 tors. eta vs tors. theta energy: -72.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -687.895949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.895949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.895949 (E_RNA) where: Base-Base interactions energy: -436.563 where: short stacking energy: -192.735 Base-Backbone interact. energy: -1.591 local terms energy: -249.741352 where: bonds (distance) C4'-P energy: -51.415 bonds (distance) P-C4' energy: -59.293 flat angles C4'-P-C4' energy: -56.626 flat angles P-C4'-P energy: -34.505 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: 8, replica: 3 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -682.566532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -682.566532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -682.566532 (E_RNA) where: Base-Base interactions energy: -437.546 where: short stacking energy: -197.207 Base-Backbone interact. energy: 0.458 local terms energy: -245.478786 where: bonds (distance) C4'-P energy: -55.187 bonds (distance) P-C4' energy: -60.829 flat angles C4'-P-C4' energy: -59.872 flat angles P-C4'-P energy: -39.304 tors. eta vs tors. theta energy: -30.288 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: 9, replica: 2 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -570.303821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.303821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.303821 (E_RNA) where: Base-Base interactions energy: -347.943 where: short stacking energy: -165.607 Base-Backbone interact. energy: -0.607 local terms energy: -221.753914 where: bonds (distance) C4'-P energy: -53.470 bonds (distance) P-C4' energy: -41.271 flat angles C4'-P-C4' energy: -53.911 flat angles P-C4'-P energy: -45.486 tors. eta vs tors. theta energy: -27.615 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: 10, replica: 7 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -390.800233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -390.800233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -390.800233 (E_RNA) where: Base-Base interactions energy: -190.095 where: short stacking energy: -100.845 Base-Backbone interact. energy: -0.747 local terms energy: -199.958416 where: bonds (distance) C4'-P energy: -62.685 bonds (distance) P-C4' energy: -52.988 flat angles C4'-P-C4' energy: -42.631 flat angles P-C4'-P energy: -30.901 tors. eta vs tors. theta energy: -10.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -1206.004287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.004287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.004287 (E_RNA) where: Base-Base interactions energy: -833.396 where: short stacking energy: -339.653 Base-Backbone interact. energy: -1.990 local terms energy: -370.618624 where: bonds (distance) C4'-P energy: -59.806 bonds (distance) P-C4' energy: -71.876 flat angles C4'-P-C4' energy: -79.842 flat angles P-C4'-P energy: -57.589 tors. eta vs tors. theta energy: -101.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -1141.669622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1141.669622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1141.669622 (E_RNA) where: Base-Base interactions energy: -803.169 where: short stacking energy: -310.835 Base-Backbone interact. energy: -1.112 local terms energy: -337.388569 where: bonds (distance) C4'-P energy: -66.585 bonds (distance) P-C4' energy: -61.039 flat angles C4'-P-C4' energy: -71.372 flat angles P-C4'-P energy: -48.888 tors. eta vs tors. theta energy: -89.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -1098.088045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.088045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.088045 (E_RNA) where: Base-Base interactions energy: -781.835 where: short stacking energy: -308.558 Base-Backbone interact. energy: -2.780 local terms energy: -313.473710 where: bonds (distance) C4'-P energy: -54.443 bonds (distance) P-C4' energy: -55.387 flat angles C4'-P-C4' energy: -69.784 flat angles P-C4'-P energy: -43.352 tors. eta vs tors. theta energy: -90.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -1024.917375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.917375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.917375 (E_RNA) where: Base-Base interactions energy: -685.130 where: short stacking energy: -322.180 Base-Backbone interact. energy: 0.401 local terms energy: -340.188111 where: bonds (distance) C4'-P energy: -60.414 bonds (distance) P-C4' energy: -60.853 flat angles C4'-P-C4' energy: -73.088 flat angles P-C4'-P energy: -48.734 tors. eta vs tors. theta energy: -97.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -918.823689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.823689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.823689 (E_RNA) where: Base-Base interactions energy: -631.866 where: short stacking energy: -259.178 Base-Backbone interact. energy: -1.413 local terms energy: -285.545309 where: bonds (distance) C4'-P energy: -62.481 bonds (distance) P-C4' energy: -58.987 flat angles C4'-P-C4' energy: -63.667 flat angles P-C4'-P energy: -37.250 tors. eta vs tors. theta energy: -63.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -878.335574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.335574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.335574 (E_RNA) where: Base-Base interactions energy: -605.318 where: short stacking energy: -256.088 Base-Backbone interact. energy: -0.740 local terms energy: -272.277521 where: bonds (distance) C4'-P energy: -53.716 bonds (distance) P-C4' energy: -64.071 flat angles C4'-P-C4' energy: -56.144 flat angles P-C4'-P energy: -30.896 tors. eta vs tors. theta energy: -67.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -743.233677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -743.233677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -743.233677 (E_RNA) where: Base-Base interactions energy: -491.308 where: short stacking energy: -227.088 Base-Backbone interact. energy: -3.130 local terms energy: -248.796511 where: bonds (distance) C4'-P energy: -59.261 bonds (distance) P-C4' energy: -51.930 flat angles C4'-P-C4' energy: -49.899 flat angles P-C4'-P energy: -35.192 tors. eta vs tors. theta energy: -52.515 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: 4 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -665.366938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -665.366938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -665.366938 (E_RNA) where: Base-Base interactions energy: -425.397 where: short stacking energy: -179.840 Base-Backbone interact. energy: -1.161 local terms energy: -238.808197 where: bonds (distance) C4'-P energy: -52.886 bonds (distance) P-C4' energy: -56.122 flat angles C4'-P-C4' energy: -50.436 flat angles P-C4'-P energy: -42.924 tors. eta vs tors. theta energy: -36.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -585.191055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.191055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.191055 (E_RNA) where: Base-Base interactions energy: -358.313 where: short stacking energy: -186.238 Base-Backbone interact. energy: -0.506 local terms energy: -226.371767 where: bonds (distance) C4'-P energy: -49.855 bonds (distance) P-C4' energy: -58.004 flat angles C4'-P-C4' energy: -59.252 flat angles P-C4'-P energy: -33.706 tors. eta vs tors. theta energy: -25.555 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: 7 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -402.081154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.081154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.081154 (E_RNA) where: Base-Base interactions energy: -197.997 where: short stacking energy: -110.509 Base-Backbone interact. energy: -1.215 local terms energy: -202.869300 where: bonds (distance) C4'-P energy: -51.877 bonds (distance) P-C4' energy: -63.857 flat angles C4'-P-C4' energy: -47.654 flat angles P-C4'-P energy: -33.077 tors. eta vs tors. theta energy: -6.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -1199.746329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.746329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.746329 (E_RNA) where: Base-Base interactions energy: -849.789 where: short stacking energy: -349.207 Base-Backbone interact. energy: -5.144 local terms energy: -344.813862 where: bonds (distance) C4'-P energy: -54.246 bonds (distance) P-C4' energy: -63.522 flat angles C4'-P-C4' energy: -72.602 flat angles P-C4'-P energy: -47.138 tors. eta vs tors. theta energy: -107.306 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: 10 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -1138.167470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.167470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.167470 (E_RNA) where: Base-Base interactions energy: -814.723 where: short stacking energy: -329.093 Base-Backbone interact. energy: -2.073 local terms energy: -321.371741 where: bonds (distance) C4'-P energy: -46.404 bonds (distance) P-C4' energy: -71.991 flat angles C4'-P-C4' energy: -73.076 flat angles P-C4'-P energy: -40.596 tors. eta vs tors. theta energy: -89.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -1103.676828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.676828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.676828 (E_RNA) where: Base-Base interactions energy: -769.832 where: short stacking energy: -308.739 Base-Backbone interact. energy: -0.028 local terms energy: -333.816705 where: bonds (distance) C4'-P energy: -56.887 bonds (distance) P-C4' energy: -68.365 flat angles C4'-P-C4' energy: -67.960 flat angles P-C4'-P energy: -47.100 tors. eta vs tors. theta energy: -93.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -975.364590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.364590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.364590 (E_RNA) where: Base-Base interactions energy: -644.039 where: short stacking energy: -308.175 Base-Backbone interact. energy: -0.828 local terms energy: -330.497917 where: bonds (distance) C4'-P energy: -66.280 bonds (distance) P-C4' energy: -71.045 flat angles C4'-P-C4' energy: -62.039 flat angles P-C4'-P energy: -44.412 tors. eta vs tors. theta energy: -86.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -946.462655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -946.462655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -946.462655 (E_RNA) where: Base-Base interactions energy: -646.602 where: short stacking energy: -262.692 Base-Backbone interact. energy: 1.082 local terms energy: -300.942575 where: bonds (distance) C4'-P energy: -55.522 bonds (distance) P-C4' energy: -52.345 flat angles C4'-P-C4' energy: -68.316 flat angles P-C4'-P energy: -51.439 tors. eta vs tors. theta energy: -73.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -855.961291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -855.961291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -855.961291 (E_RNA) where: Base-Base interactions energy: -580.390 where: short stacking energy: -247.781 Base-Backbone interact. energy: -1.199 local terms energy: -274.371985 where: bonds (distance) C4'-P energy: -47.182 bonds (distance) P-C4' energy: -62.751 flat angles C4'-P-C4' energy: -64.371 flat angles P-C4'-P energy: -40.120 tors. eta vs tors. theta energy: -59.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -726.438235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.438235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.438235 (E_RNA) where: Base-Base interactions energy: -471.370 where: short stacking energy: -199.581 Base-Backbone interact. energy: -1.974 local terms energy: -253.095125 where: bonds (distance) C4'-P energy: -54.586 bonds (distance) P-C4' energy: -56.464 flat angles C4'-P-C4' energy: -58.990 flat angles P-C4'-P energy: -36.975 tors. eta vs tors. theta energy: -46.080 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: 4 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -659.051203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -659.051203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -659.051203 (E_RNA) where: Base-Base interactions energy: -419.222 where: short stacking energy: -181.688 Base-Backbone interact. energy: -1.177 local terms energy: -238.652194 where: bonds (distance) C4'-P energy: -53.963 bonds (distance) P-C4' energy: -63.399 flat angles C4'-P-C4' energy: -51.079 flat angles P-C4'-P energy: -25.597 tors. eta vs tors. theta energy: -44.614 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: 2 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -559.615972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -559.615972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -559.615972 (E_RNA) where: Base-Base interactions energy: -355.360 where: short stacking energy: -167.220 Base-Backbone interact. energy: -0.832 local terms energy: -203.423388 where: bonds (distance) C4'-P energy: -58.068 bonds (distance) P-C4' energy: -43.423 flat angles C4'-P-C4' energy: -58.247 flat angles P-C4'-P energy: -24.616 tors. eta vs tors. theta energy: -19.070 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: 10, replica: 7 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -414.946921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.946921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.946921 (E_RNA) where: Base-Base interactions energy: -202.414 where: short stacking energy: -111.274 Base-Backbone interact. energy: 1.088 local terms energy: -213.620653 where: bonds (distance) C4'-P energy: -61.562 bonds (distance) P-C4' energy: -63.119 flat angles C4'-P-C4' energy: -42.718 flat angles P-C4'-P energy: -42.327 tors. eta vs tors. theta energy: -3.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -1209.099833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1209.099833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1209.099833 (E_RNA) where: Base-Base interactions energy: -838.122 where: short stacking energy: -343.086 Base-Backbone interact. energy: -2.140 local terms energy: -368.837939 where: bonds (distance) C4'-P energy: -63.318 bonds (distance) P-C4' energy: -61.850 flat angles C4'-P-C4' energy: -81.111 flat angles P-C4'-P energy: -53.084 tors. eta vs tors. theta energy: -109.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -1125.176510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.176510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.176510 (E_RNA) where: Base-Base interactions energy: -793.282 where: short stacking energy: -305.879 Base-Backbone interact. energy: -3.441 local terms energy: -328.452840 where: bonds (distance) C4'-P energy: -62.931 bonds (distance) P-C4' energy: -71.063 flat angles C4'-P-C4' energy: -66.793 flat angles P-C4'-P energy: -38.543 tors. eta vs tors. theta energy: -89.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -1100.981537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1100.981537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1100.981537 (E_RNA) where: Base-Base interactions energy: -777.289 where: short stacking energy: -310.808 Base-Backbone interact. energy: -2.095 local terms energy: -321.597490 where: bonds (distance) C4'-P energy: -60.940 bonds (distance) P-C4' energy: -56.846 flat angles C4'-P-C4' energy: -75.175 flat angles P-C4'-P energy: -44.992 tors. eta vs tors. theta energy: -83.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -980.742318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -980.742318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -980.742318 (E_RNA) where: Base-Base interactions energy: -640.161 where: short stacking energy: -298.378 Base-Backbone interact. energy: -0.184 local terms energy: -340.397108 where: bonds (distance) C4'-P energy: -58.982 bonds (distance) P-C4' energy: -77.745 flat angles C4'-P-C4' energy: -65.990 flat angles P-C4'-P energy: -46.254 tors. eta vs tors. theta energy: -91.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -964.737312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -964.737312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -964.737312 (E_RNA) where: Base-Base interactions energy: -643.613 where: short stacking energy: -279.789 Base-Backbone interact. energy: -1.734 local terms energy: -319.390230 where: bonds (distance) C4'-P energy: -64.356 bonds (distance) P-C4' energy: -61.786 flat angles C4'-P-C4' energy: -74.464 flat angles P-C4'-P energy: -43.993 tors. eta vs tors. theta energy: -74.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -863.227898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -863.227898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -863.227898 (E_RNA) where: Base-Base interactions energy: -571.540 where: short stacking energy: -264.488 Base-Backbone interact. energy: -1.814 local terms energy: -289.873504 where: bonds (distance) C4'-P energy: -57.697 bonds (distance) P-C4' energy: -61.291 flat angles C4'-P-C4' energy: -61.079 flat angles P-C4'-P energy: -37.063 tors. eta vs tors. theta energy: -72.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -675.943177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -675.943177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -675.943177 (E_RNA) where: Base-Base interactions energy: -426.460 where: short stacking energy: -200.070 Base-Backbone interact. energy: -0.128 local terms energy: -249.355151 where: bonds (distance) C4'-P energy: -53.774 bonds (distance) P-C4' energy: -63.447 flat angles C4'-P-C4' energy: -57.536 flat angles P-C4'-P energy: -39.452 tors. eta vs tors. theta energy: -35.145 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: 3 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -724.643357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -724.643357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -724.643357 (E_RNA) where: Base-Base interactions energy: -450.232 where: short stacking energy: -205.047 Base-Backbone interact. energy: -1.123 local terms energy: -273.288441 where: bonds (distance) C4'-P energy: -67.477 bonds (distance) P-C4' energy: -59.777 flat angles C4'-P-C4' energy: -57.021 flat angles P-C4'-P energy: -37.823 tors. eta vs tors. theta energy: -51.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -557.983647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -557.983647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -557.983647 (E_RNA) where: Base-Base interactions energy: -343.429 where: short stacking energy: -172.577 Base-Backbone interact. energy: -0.972 local terms energy: -213.583231 where: bonds (distance) C4'-P energy: -51.300 bonds (distance) P-C4' energy: -57.095 flat angles C4'-P-C4' energy: -50.419 flat angles P-C4'-P energy: -30.989 tors. eta vs tors. theta energy: -23.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -433.384864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.384864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.384864 (E_RNA) where: Base-Base interactions energy: -215.205 where: short stacking energy: -122.477 Base-Backbone interact. energy: 1.320 local terms energy: -219.500471 where: bonds (distance) C4'-P energy: -61.230 bonds (distance) P-C4' energy: -54.817 flat angles C4'-P-C4' energy: -41.187 flat angles P-C4'-P energy: -43.462 tors. eta vs tors. theta energy: -18.804 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: 1, replica: 8 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -1203.956854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.956854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.956854 (E_RNA) where: Base-Base interactions energy: -841.259 where: short stacking energy: -330.778 Base-Backbone interact. energy: -3.314 local terms energy: -359.384321 where: bonds (distance) C4'-P energy: -60.631 bonds (distance) P-C4' energy: -66.024 flat angles C4'-P-C4' energy: -79.429 flat angles P-C4'-P energy: -48.294 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: 2, replica: 10 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -1137.501451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.501451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.501451 (E_RNA) where: Base-Base interactions energy: -801.051 where: short stacking energy: -312.612 Base-Backbone interact. energy: -0.471 local terms energy: -335.979499 where: bonds (distance) C4'-P energy: -61.356 bonds (distance) P-C4' energy: -66.223 flat angles C4'-P-C4' energy: -73.893 flat angles P-C4'-P energy: -49.372 tors. eta vs tors. theta energy: -85.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -1108.339497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.339497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.339497 (E_RNA) where: Base-Base interactions energy: -769.607 where: short stacking energy: -328.576 Base-Backbone interact. energy: -1.029 local terms energy: -337.704218 where: bonds (distance) C4'-P energy: -62.722 bonds (distance) P-C4' energy: -68.557 flat angles C4'-P-C4' energy: -70.994 flat angles P-C4'-P energy: -42.894 tors. eta vs tors. theta energy: -92.538 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: 4, replica: 1 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -966.552708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.552708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.552708 (E_RNA) where: Base-Base interactions energy: -644.815 where: short stacking energy: -283.704 Base-Backbone interact. energy: -0.594 local terms energy: -321.143372 where: bonds (distance) C4'-P energy: -62.652 bonds (distance) P-C4' energy: -63.199 flat angles C4'-P-C4' energy: -71.176 flat angles P-C4'-P energy: -43.152 tors. eta vs tors. theta energy: -80.964 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: 6 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -930.774310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.774310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.774310 (E_RNA) where: Base-Base interactions energy: -605.658 where: short stacking energy: -278.567 Base-Backbone interact. energy: -0.137 local terms energy: -324.979746 where: bonds (distance) C4'-P energy: -61.043 bonds (distance) P-C4' energy: -63.352 flat angles C4'-P-C4' energy: -66.186 flat angles P-C4'-P energy: -47.000 tors. eta vs tors. theta energy: -87.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -838.453529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -838.453529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -838.453529 (E_RNA) where: Base-Base interactions energy: -539.568 where: short stacking energy: -233.613 Base-Backbone interact. energy: -0.613 local terms energy: -298.273044 where: bonds (distance) C4'-P energy: -53.945 bonds (distance) P-C4' energy: -71.958 flat angles C4'-P-C4' energy: -62.738 flat angles P-C4'-P energy: -49.095 tors. eta vs tors. theta energy: -60.537 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: 4 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -646.482673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -646.482673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -646.482673 (E_RNA) where: Base-Base interactions energy: -391.248 where: short stacking energy: -176.092 Base-Backbone interact. energy: 3.202 local terms energy: -258.436359 where: bonds (distance) C4'-P energy: -57.050 bonds (distance) P-C4' energy: -56.439 flat angles C4'-P-C4' energy: -60.182 flat angles P-C4'-P energy: -43.460 tors. eta vs tors. theta energy: -41.306 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: 8, replica: 3 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -691.228351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -691.228351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -691.228351 (E_RNA) where: Base-Base interactions energy: -452.740 where: short stacking energy: -212.476 Base-Backbone interact. energy: -0.536 local terms energy: -237.952451 where: bonds (distance) C4'-P energy: -40.079 bonds (distance) P-C4' energy: -47.362 flat angles C4'-P-C4' energy: -58.147 flat angles P-C4'-P energy: -43.821 tors. eta vs tors. theta energy: -48.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -551.294272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -551.294272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -551.294272 (E_RNA) where: Base-Base interactions energy: -321.371 where: short stacking energy: -171.203 Base-Backbone interact. energy: 0.427 local terms energy: -230.350915 where: bonds (distance) C4'-P energy: -60.644 bonds (distance) P-C4' energy: -58.786 flat angles C4'-P-C4' energy: -45.920 flat angles P-C4'-P energy: -45.154 tors. eta vs tors. theta energy: -19.847 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: 7 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -438.907337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -438.907337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -438.907337 (E_RNA) where: Base-Base interactions energy: -234.077 where: short stacking energy: -120.603 Base-Backbone interact. energy: 0.500 local terms energy: -205.330555 where: bonds (distance) C4'-P energy: -47.318 bonds (distance) P-C4' energy: -51.579 flat angles C4'-P-C4' energy: -56.558 flat angles P-C4'-P energy: -38.082 tors. eta vs tors. theta energy: -11.794 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: 1, replica: 8 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -1199.144109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.144109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.144109 (E_RNA) where: Base-Base interactions energy: -858.611 where: short stacking energy: -328.437 Base-Backbone interact. energy: -1.008 local terms energy: -339.524808 where: bonds (distance) C4'-P energy: -57.742 bonds (distance) P-C4' energy: -64.390 flat angles C4'-P-C4' energy: -73.099 flat angles P-C4'-P energy: -48.966 tors. eta vs tors. theta energy: -95.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -1140.213676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.213676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.213676 (E_RNA) where: Base-Base interactions energy: -796.469 where: short stacking energy: -315.505 Base-Backbone interact. energy: -4.288 local terms energy: -339.456679 where: bonds (distance) C4'-P energy: -65.922 bonds (distance) P-C4' energy: -63.701 flat angles C4'-P-C4' energy: -71.597 flat angles P-C4'-P energy: -45.240 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: 3, replica: 9 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -1098.718149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.718149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.718149 (E_RNA) where: Base-Base interactions energy: -766.002 where: short stacking energy: -307.444 Base-Backbone interact. energy: -3.154 local terms energy: -329.562026 where: bonds (distance) C4'-P energy: -58.559 bonds (distance) P-C4' energy: -62.746 flat angles C4'-P-C4' energy: -69.607 flat angles P-C4'-P energy: -47.712 tors. eta vs tors. theta energy: -90.938 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: 1 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -1019.945952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1019.945952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1019.945952 (E_RNA) where: Base-Base interactions energy: -698.183 where: short stacking energy: -313.045 Base-Backbone interact. energy: -2.196 local terms energy: -319.566916 where: bonds (distance) C4'-P energy: -49.897 bonds (distance) P-C4' energy: -55.757 flat angles C4'-P-C4' energy: -72.318 flat angles P-C4'-P energy: -41.418 tors. eta vs tors. theta energy: -100.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -916.690310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -916.690310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -916.690310 (E_RNA) where: Base-Base interactions energy: -607.254 where: short stacking energy: -306.900 Base-Backbone interact. energy: -1.192 local terms energy: -308.244121 where: bonds (distance) C4'-P energy: -56.502 bonds (distance) P-C4' energy: -66.104 flat angles C4'-P-C4' energy: -71.023 flat angles P-C4'-P energy: -31.957 tors. eta vs tors. theta energy: -82.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -826.046208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -826.046208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -826.046208 (E_RNA) where: Base-Base interactions energy: -541.815 where: short stacking energy: -242.357 Base-Backbone interact. energy: -1.967 local terms energy: -282.264762 where: bonds (distance) C4'-P energy: -52.640 bonds (distance) P-C4' energy: -55.253 flat angles C4'-P-C4' energy: -66.690 flat angles P-C4'-P energy: -41.841 tors. eta vs tors. theta energy: -65.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -695.505146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -695.505146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -695.505146 (E_RNA) where: Base-Base interactions energy: -444.019 where: short stacking energy: -194.746 Base-Backbone interact. energy: -2.539 local terms energy: -248.947015 where: bonds (distance) C4'-P energy: -63.890 bonds (distance) P-C4' energy: -63.303 flat angles C4'-P-C4' energy: -53.521 flat angles P-C4'-P energy: -35.914 tors. eta vs tors. theta energy: -32.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -658.648493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -658.648493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -658.648493 (E_RNA) where: Base-Base interactions energy: -404.719 where: short stacking energy: -181.372 Base-Backbone interact. energy: 0.072 local terms energy: -254.002084 where: bonds (distance) C4'-P energy: -61.650 bonds (distance) P-C4' energy: -57.030 flat angles C4'-P-C4' energy: -55.444 flat angles P-C4'-P energy: -41.632 tors. eta vs tors. theta energy: -38.245 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: 2 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -541.958477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -541.958477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -541.958477 (E_RNA) where: Base-Base interactions energy: -322.911 where: short stacking energy: -153.422 Base-Backbone interact. energy: -1.882 local terms energy: -217.165461 where: bonds (distance) C4'-P energy: -40.275 bonds (distance) P-C4' energy: -53.888 flat angles C4'-P-C4' energy: -50.872 flat angles P-C4'-P energy: -40.741 tors. eta vs tors. theta energy: -31.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -443.969034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.969034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.969034 (E_RNA) where: Base-Base interactions energy: -240.592 where: short stacking energy: -120.192 Base-Backbone interact. energy: -3.371 local terms energy: -200.006094 where: bonds (distance) C4'-P energy: -47.285 bonds (distance) P-C4' energy: -57.856 flat angles C4'-P-C4' energy: -47.190 flat angles P-C4'-P energy: -26.632 tors. eta vs tors. theta energy: -21.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -1184.107460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.107460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.107460 (E_RNA) where: Base-Base interactions energy: -822.037 where: short stacking energy: -349.441 Base-Backbone interact. energy: -1.635 local terms energy: -360.435402 where: bonds (distance) C4'-P energy: -58.548 bonds (distance) P-C4' energy: -73.043 flat angles C4'-P-C4' energy: -75.682 flat angles P-C4'-P energy: -51.577 tors. eta vs tors. theta energy: -101.584 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: 10 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -1171.341133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.341133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.341133 (E_RNA) where: Base-Base interactions energy: -823.437 where: short stacking energy: -330.963 Base-Backbone interact. energy: -0.847 local terms energy: -347.056681 where: bonds (distance) C4'-P energy: -72.768 bonds (distance) P-C4' energy: -65.565 flat angles C4'-P-C4' energy: -75.690 flat angles P-C4'-P energy: -49.706 tors. eta vs tors. theta energy: -83.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -1095.309871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1095.309871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1095.309871 (E_RNA) where: Base-Base interactions energy: -769.133 where: short stacking energy: -293.447 Base-Backbone interact. energy: -1.750 local terms energy: -324.426961 where: bonds (distance) C4'-P energy: -57.042 bonds (distance) P-C4' energy: -62.652 flat angles C4'-P-C4' energy: -71.076 flat angles P-C4'-P energy: -47.072 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: 1 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -1023.620471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1023.620471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1023.620471 (E_RNA) where: Base-Base interactions energy: -692.223 where: short stacking energy: -307.675 Base-Backbone interact. energy: -0.837 local terms energy: -330.560267 where: bonds (distance) C4'-P energy: -48.049 bonds (distance) P-C4' energy: -66.313 flat angles C4'-P-C4' energy: -70.072 flat angles P-C4'-P energy: -55.794 tors. eta vs tors. theta energy: -90.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -933.548903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -933.548903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -933.548903 (E_RNA) where: Base-Base interactions energy: -607.950 where: short stacking energy: -305.377 Base-Backbone interact. energy: -0.829 local terms energy: -324.770468 where: bonds (distance) C4'-P energy: -62.766 bonds (distance) P-C4' energy: -59.398 flat angles C4'-P-C4' energy: -64.470 flat angles P-C4'-P energy: -49.231 tors. eta vs tors. theta energy: -88.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -861.751772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.751772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.751772 (E_RNA) where: Base-Base interactions energy: -605.807 where: short stacking energy: -253.266 Base-Backbone interact. energy: -4.804 local terms energy: -251.140263 where: bonds (distance) C4'-P energy: -51.671 bonds (distance) P-C4' energy: -51.523 flat angles C4'-P-C4' energy: -64.234 flat angles P-C4'-P energy: -27.696 tors. eta vs tors. theta energy: -56.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -765.161072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -765.161072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -765.161072 (E_RNA) where: Base-Base interactions energy: -517.811 where: short stacking energy: -240.753 Base-Backbone interact. energy: -0.897 local terms energy: -246.452942 where: bonds (distance) C4'-P energy: -47.788 bonds (distance) P-C4' energy: -50.108 flat angles C4'-P-C4' energy: -64.922 flat angles P-C4'-P energy: -24.932 tors. eta vs tors. theta energy: -58.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -635.231125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -635.231125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -635.231125 (E_RNA) where: Base-Base interactions energy: -383.804 where: short stacking energy: -174.462 Base-Backbone interact. energy: -0.551 local terms energy: -250.875999 where: bonds (distance) C4'-P energy: -66.043 bonds (distance) P-C4' energy: -67.641 flat angles C4'-P-C4' energy: -54.439 flat angles P-C4'-P energy: -31.968 tors. eta vs tors. theta energy: -30.784 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: 2 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -547.871277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -547.871277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -547.871277 (E_RNA) where: Base-Base interactions energy: -318.482 where: short stacking energy: -152.153 Base-Backbone interact. energy: -1.869 local terms energy: -227.520014 where: bonds (distance) C4'-P energy: -48.765 bonds (distance) P-C4' energy: -65.633 flat angles C4'-P-C4' energy: -59.688 flat angles P-C4'-P energy: -33.859 tors. eta vs tors. theta energy: -19.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -407.533190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -407.533190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -407.533190 (E_RNA) where: Base-Base interactions energy: -223.895 where: short stacking energy: -112.935 Base-Backbone interact. energy: 6.054 local terms energy: -189.692246 where: bonds (distance) C4'-P energy: -49.748 bonds (distance) P-C4' energy: -53.784 flat angles C4'-P-C4' energy: -48.805 flat angles P-C4'-P energy: -30.146 tors. eta vs tors. theta energy: -7.210 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: 8 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -1189.943706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1189.943706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1189.943706 (E_RNA) where: Base-Base interactions energy: -832.036 where: short stacking energy: -337.407 Base-Backbone interact. energy: -2.056 local terms energy: -355.851778 where: bonds (distance) C4'-P energy: -59.379 bonds (distance) P-C4' energy: -68.417 flat angles C4'-P-C4' energy: -74.325 flat angles P-C4'-P energy: -48.900 tors. eta vs tors. theta energy: -104.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -1139.737083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.737083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.737083 (E_RNA) where: Base-Base interactions energy: -801.600 where: short stacking energy: -328.595 Base-Backbone interact. energy: -1.421 local terms energy: -336.716796 where: bonds (distance) C4'-P energy: -68.630 bonds (distance) P-C4' energy: -68.921 flat angles C4'-P-C4' energy: -72.413 flat angles P-C4'-P energy: -43.606 tors. eta vs tors. theta energy: -83.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -1124.219781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1124.219781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1124.219781 (E_RNA) where: Base-Base interactions energy: -783.535 where: short stacking energy: -316.836 Base-Backbone interact. energy: -2.638 local terms energy: -338.046328 where: bonds (distance) C4'-P energy: -62.283 bonds (distance) P-C4' energy: -67.736 flat angles C4'-P-C4' energy: -67.684 flat angles P-C4'-P energy: -47.071 tors. eta vs tors. theta energy: -93.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -1041.194778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1041.194778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1041.194778 (E_RNA) where: Base-Base interactions energy: -708.955 where: short stacking energy: -319.492 Base-Backbone interact. energy: -0.500 local terms energy: -331.739519 where: bonds (distance) C4'-P energy: -62.321 bonds (distance) P-C4' energy: -56.011 flat angles C4'-P-C4' energy: -76.049 flat angles P-C4'-P energy: -42.780 tors. eta vs tors. theta energy: -94.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -884.527760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.527760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.527760 (E_RNA) where: Base-Base interactions energy: -581.438 where: short stacking energy: -281.312 Base-Backbone interact. energy: 0.985 local terms energy: -304.075353 where: bonds (distance) C4'-P energy: -60.277 bonds (distance) P-C4' energy: -60.141 flat angles C4'-P-C4' energy: -60.650 flat angles P-C4'-P energy: -42.960 tors. eta vs tors. theta energy: -80.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -813.046557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -813.046557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -813.046557 (E_RNA) where: Base-Base interactions energy: -532.054 where: short stacking energy: -222.463 Base-Backbone interact. energy: -0.920 local terms energy: -280.072096 where: bonds (distance) C4'-P energy: -52.736 bonds (distance) P-C4' energy: -62.012 flat angles C4'-P-C4' energy: -69.551 flat angles P-C4'-P energy: -40.979 tors. eta vs tors. theta energy: -54.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -757.636952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.636952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.636952 (E_RNA) where: Base-Base interactions energy: -499.572 where: short stacking energy: -206.381 Base-Backbone interact. energy: -1.726 local terms energy: -256.338912 where: bonds (distance) C4'-P energy: -53.321 bonds (distance) P-C4' energy: -59.016 flat angles C4'-P-C4' energy: -63.374 flat angles P-C4'-P energy: -34.478 tors. eta vs tors. theta energy: -46.150 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: 8, replica: 4 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -640.402260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -640.402260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -640.402260 (E_RNA) where: Base-Base interactions energy: -403.317 where: short stacking energy: -181.911 Base-Backbone interact. energy: -1.112 local terms energy: -235.973440 where: bonds (distance) C4'-P energy: -48.483 bonds (distance) P-C4' energy: -62.120 flat angles C4'-P-C4' energy: -58.410 flat angles P-C4'-P energy: -32.092 tors. eta vs tors. theta energy: -34.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -583.328786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.328786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.328786 (E_RNA) where: Base-Base interactions energy: -367.581 where: short stacking energy: -167.005 Base-Backbone interact. energy: -0.622 local terms energy: -215.126317 where: bonds (distance) C4'-P energy: -55.300 bonds (distance) P-C4' energy: -54.018 flat angles C4'-P-C4' energy: -48.007 flat angles P-C4'-P energy: -30.473 tors. eta vs tors. theta energy: -27.329 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: 7 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -437.371935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -437.371935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -437.371935 (E_RNA) where: Base-Base interactions energy: -236.385 where: short stacking energy: -132.172 Base-Backbone interact. energy: 3.770 local terms energy: -204.756947 where: bonds (distance) C4'-P energy: -57.304 bonds (distance) P-C4' energy: -53.673 flat angles C4'-P-C4' energy: -35.045 flat angles P-C4'-P energy: -42.759 tors. eta vs tors. theta energy: -15.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -1179.454689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.454689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.454689 (E_RNA) where: Base-Base interactions energy: -822.409 where: short stacking energy: -340.792 Base-Backbone interact. energy: -3.754 local terms energy: -353.291246 where: bonds (distance) C4'-P energy: -68.701 bonds (distance) P-C4' energy: -63.189 flat angles C4'-P-C4' energy: -63.251 flat angles P-C4'-P energy: -50.507 tors. eta vs tors. theta energy: -107.643 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: 10 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -1132.378780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1132.378780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1132.378780 (E_RNA) where: Base-Base interactions energy: -795.508 where: short stacking energy: -332.160 Base-Backbone interact. energy: -1.206 local terms energy: -335.665457 where: bonds (distance) C4'-P energy: -59.532 bonds (distance) P-C4' energy: -61.784 flat angles C4'-P-C4' energy: -80.795 flat angles P-C4'-P energy: -38.375 tors. eta vs tors. theta energy: -95.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -1113.995304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.995304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.995304 (E_RNA) where: Base-Base interactions energy: -780.000 where: short stacking energy: -320.405 Base-Backbone interact. energy: -0.652 local terms energy: -333.343591 where: bonds (distance) C4'-P energy: -60.425 bonds (distance) P-C4' energy: -58.634 flat angles C4'-P-C4' energy: -71.169 flat angles P-C4'-P energy: -47.609 tors. eta vs tors. theta energy: -95.506 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: 425 Temperature: 1.050000 Total energy: -1005.470521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.470521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.470521 (E_RNA) where: Base-Base interactions energy: -666.180 where: short stacking energy: -290.493 Base-Backbone interact. energy: -2.199 local terms energy: -337.091608 where: bonds (distance) C4'-P energy: -65.183 bonds (distance) P-C4' energy: -64.782 flat angles C4'-P-C4' energy: -77.836 flat angles P-C4'-P energy: -43.190 tors. eta vs tors. theta energy: -86.100 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: 6 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -914.977641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.977641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.977641 (E_RNA) where: Base-Base interactions energy: -584.478 where: short stacking energy: -289.281 Base-Backbone interact. energy: 1.262 local terms energy: -331.761412 where: bonds (distance) C4'-P energy: -65.762 bonds (distance) P-C4' energy: -57.012 flat angles C4'-P-C4' energy: -69.084 flat angles P-C4'-P energy: -51.731 tors. eta vs tors. theta energy: -88.173 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: 425 Temperature: 1.150000 Total energy: -827.562910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -827.562910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -827.562910 (E_RNA) where: Base-Base interactions energy: -537.226 where: short stacking energy: -233.301 Base-Backbone interact. energy: -1.257 local terms energy: -289.080167 where: bonds (distance) C4'-P energy: -61.709 bonds (distance) P-C4' energy: -65.385 flat angles C4'-P-C4' energy: -55.224 flat angles P-C4'-P energy: -46.927 tors. eta vs tors. theta energy: -59.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -756.380406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -756.380406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -756.380406 (E_RNA) where: Base-Base interactions energy: -479.736 where: short stacking energy: -194.103 Base-Backbone interact. energy: -1.377 local terms energy: -275.267861 where: bonds (distance) C4'-P energy: -63.974 bonds (distance) P-C4' energy: -58.360 flat angles C4'-P-C4' energy: -65.123 flat angles P-C4'-P energy: -39.206 tors. eta vs tors. theta energy: -48.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -610.584052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -610.584052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -610.584052 (E_RNA) where: Base-Base interactions energy: -383.231 where: short stacking energy: -164.198 Base-Backbone interact. energy: -1.710 local terms energy: -225.643063 where: bonds (distance) C4'-P energy: -46.381 bonds (distance) P-C4' energy: -58.455 flat angles C4'-P-C4' energy: -60.062 flat angles P-C4'-P energy: -35.462 tors. eta vs tors. theta energy: -25.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -587.379151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -587.379151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -587.379151 (E_RNA) where: Base-Base interactions energy: -350.128 where: short stacking energy: -176.075 Base-Backbone interact. energy: -1.499 local terms energy: -235.751323 where: bonds (distance) C4'-P energy: -58.040 bonds (distance) P-C4' energy: -46.481 flat angles C4'-P-C4' energy: -59.227 flat angles P-C4'-P energy: -38.173 tors. eta vs tors. theta energy: -33.830 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: 7 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -425.517772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -425.517772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -425.517772 (E_RNA) where: Base-Base interactions energy: -224.326 where: short stacking energy: -108.237 Base-Backbone interact. energy: -0.189 local terms energy: -201.003089 where: bonds (distance) C4'-P energy: -51.382 bonds (distance) P-C4' energy: -53.883 flat angles C4'-P-C4' energy: -52.623 flat angles P-C4'-P energy: -28.680 tors. eta vs tors. theta energy: -14.435 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: 1, replica: 10 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -1170.196641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.196641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.196641 (E_RNA) where: Base-Base interactions energy: -822.714 where: short stacking energy: -326.509 Base-Backbone interact. energy: -2.074 local terms energy: -345.409363 where: bonds (distance) C4'-P energy: -60.097 bonds (distance) P-C4' energy: -71.370 flat angles C4'-P-C4' energy: -69.813 flat angles P-C4'-P energy: -46.853 tors. eta vs tors. theta energy: -97.275 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: 8 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -1187.099370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.099370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.099370 (E_RNA) where: Base-Base interactions energy: -840.487 where: short stacking energy: -348.513 Base-Backbone interact. energy: -2.061 local terms energy: -344.550891 where: bonds (distance) C4'-P energy: -59.978 bonds (distance) P-C4' energy: -57.334 flat angles C4'-P-C4' energy: -78.900 flat angles P-C4'-P energy: -44.482 tors. eta vs tors. theta energy: -103.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -1110.898551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.898551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.898551 (E_RNA) where: Base-Base interactions energy: -786.030 where: short stacking energy: -308.090 Base-Backbone interact. energy: 1.985 local terms energy: -326.853120 where: bonds (distance) C4'-P energy: -58.238 bonds (distance) P-C4' energy: -57.190 flat angles C4'-P-C4' energy: -69.115 flat angles P-C4'-P energy: -53.259 tors. eta vs tors. theta energy: -89.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -999.958972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.958972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.958972 (E_RNA) where: Base-Base interactions energy: -689.776 where: short stacking energy: -306.043 Base-Backbone interact. energy: -3.115 local terms energy: -307.068281 where: bonds (distance) C4'-P energy: -62.414 bonds (distance) P-C4' energy: -55.335 flat angles C4'-P-C4' energy: -55.887 flat angles P-C4'-P energy: -48.270 tors. eta vs tors. theta energy: -85.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -941.258078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -941.258078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -941.258078 (E_RNA) where: Base-Base interactions energy: -614.602 where: short stacking energy: -283.915 Base-Backbone interact. energy: -0.813 local terms energy: -325.842931 where: bonds (distance) C4'-P energy: -58.642 bonds (distance) P-C4' energy: -60.485 flat angles C4'-P-C4' energy: -74.796 flat angles P-C4'-P energy: -49.927 tors. eta vs tors. theta energy: -81.992 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: 6, replica: 5 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -816.328830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.328830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.328830 (E_RNA) where: Base-Base interactions energy: -529.055 where: short stacking energy: -233.496 Base-Backbone interact. energy: 2.128 local terms energy: -289.401909 where: bonds (distance) C4'-P energy: -62.796 bonds (distance) P-C4' energy: -57.830 flat angles C4'-P-C4' energy: -60.093 flat angles P-C4'-P energy: -45.971 tors. eta vs tors. theta energy: -62.712 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: 3 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -742.313821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.313821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.313821 (E_RNA) where: Base-Base interactions energy: -470.291 where: short stacking energy: -216.399 Base-Backbone interact. energy: -0.973 local terms energy: -271.050037 where: bonds (distance) C4'-P energy: -55.972 bonds (distance) P-C4' energy: -60.463 flat angles C4'-P-C4' energy: -63.034 flat angles P-C4'-P energy: -44.374 tors. eta vs tors. theta energy: -47.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -655.285922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -655.285922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -655.285922 (E_RNA) where: Base-Base interactions energy: -444.449 where: short stacking energy: -190.687 Base-Backbone interact. energy: -2.038 local terms energy: -208.798011 where: bonds (distance) C4'-P energy: -51.713 bonds (distance) P-C4' energy: -52.056 flat angles C4'-P-C4' energy: -52.513 flat angles P-C4'-P energy: -23.427 tors. eta vs tors. theta energy: -29.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -558.727946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.727946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.727946 (E_RNA) where: Base-Base interactions energy: -343.955 where: short stacking energy: -169.250 Base-Backbone interact. energy: 1.008 local terms energy: -215.780314 where: bonds (distance) C4'-P energy: -44.712 bonds (distance) P-C4' energy: -63.479 flat angles C4'-P-C4' energy: -49.545 flat angles P-C4'-P energy: -37.573 tors. eta vs tors. theta energy: -20.471 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: 7 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -372.780444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -372.780444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -372.780444 (E_RNA) where: Base-Base interactions energy: -173.279 where: short stacking energy: -97.890 Base-Backbone interact. energy: 1.032 local terms energy: -200.533575 where: bonds (distance) C4'-P energy: -55.445 bonds (distance) P-C4' energy: -51.318 flat angles C4'-P-C4' energy: -51.674 flat angles P-C4'-P energy: -34.268 tors. eta vs tors. theta energy: -7.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -1178.994462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1178.994462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1178.994462 (E_RNA) where: Base-Base interactions energy: -825.733 where: short stacking energy: -328.446 Base-Backbone interact. energy: -2.698 local terms energy: -350.563327 where: bonds (distance) C4'-P energy: -61.841 bonds (distance) P-C4' energy: -67.905 flat angles C4'-P-C4' energy: -74.760 flat angles P-C4'-P energy: -51.965 tors. eta vs tors. theta energy: -94.093 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: 2, replica: 8 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -1179.177785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1179.177785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1179.177785 (E_RNA) where: Base-Base interactions energy: -825.406 where: short stacking energy: -338.426 Base-Backbone interact. energy: -2.699 local terms energy: -351.072671 where: bonds (distance) C4'-P energy: -65.149 bonds (distance) P-C4' energy: -66.290 flat angles C4'-P-C4' energy: -76.621 flat angles P-C4'-P energy: -45.529 tors. eta vs tors. theta energy: -97.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -1115.715995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.715995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.715995 (E_RNA) where: Base-Base interactions energy: -768.634 where: short stacking energy: -324.283 Base-Backbone interact. energy: -1.492 local terms energy: -345.590598 where: bonds (distance) C4'-P energy: -68.176 bonds (distance) P-C4' energy: -70.423 flat angles C4'-P-C4' energy: -67.655 flat angles P-C4'-P energy: -36.926 tors. eta vs tors. theta energy: -102.411 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: 1 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -1049.504602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1049.504602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1049.504602 (E_RNA) where: Base-Base interactions energy: -706.646 where: short stacking energy: -331.664 Base-Backbone interact. energy: -3.255 local terms energy: -339.603753 where: bonds (distance) C4'-P energy: -64.462 bonds (distance) P-C4' energy: -62.749 flat angles C4'-P-C4' energy: -73.759 flat angles P-C4'-P energy: -56.169 tors. eta vs tors. theta energy: -82.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -954.084757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -954.084757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -954.084757 (E_RNA) where: Base-Base interactions energy: -636.055 where: short stacking energy: -309.948 Base-Backbone interact. energy: -0.018 local terms energy: -318.011566 where: bonds (distance) C4'-P energy: -55.014 bonds (distance) P-C4' energy: -57.766 flat angles C4'-P-C4' energy: -60.998 flat angles P-C4'-P energy: -54.838 tors. eta vs tors. theta energy: -89.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -829.910437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.910437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.910437 (E_RNA) where: Base-Base interactions energy: -551.792 where: short stacking energy: -233.248 Base-Backbone interact. energy: 2.091 local terms energy: -280.208760 where: bonds (distance) C4'-P energy: -64.419 bonds (distance) P-C4' energy: -58.911 flat angles C4'-P-C4' energy: -57.620 flat angles P-C4'-P energy: -31.935 tors. eta vs tors. theta energy: -67.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -717.872412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -717.872412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -717.872412 (E_RNA) where: Base-Base interactions energy: -456.713 where: short stacking energy: -224.389 Base-Backbone interact. energy: -1.145 local terms energy: -260.014724 where: bonds (distance) C4'-P energy: -57.135 bonds (distance) P-C4' energy: -53.303 flat angles C4'-P-C4' energy: -53.755 flat angles P-C4'-P energy: -42.142 tors. eta vs tors. theta energy: -53.680 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: 8, replica: 2 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -708.209896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.209896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.209896 (E_RNA) where: Base-Base interactions energy: -460.484 where: short stacking energy: -212.370 Base-Backbone interact. energy: -0.650 local terms energy: -247.076183 where: bonds (distance) C4'-P energy: -45.833 bonds (distance) P-C4' energy: -58.447 flat angles C4'-P-C4' energy: -53.881 flat angles P-C4'-P energy: -45.576 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: 9, replica: 4 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -525.637211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.637211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.637211 (E_RNA) where: Base-Base interactions energy: -316.290 where: short stacking energy: -156.054 Base-Backbone interact. energy: 2.866 local terms energy: -212.213343 where: bonds (distance) C4'-P energy: -45.711 bonds (distance) P-C4' energy: -61.889 flat angles C4'-P-C4' energy: -56.823 flat angles P-C4'-P energy: -29.725 tors. eta vs tors. theta energy: -18.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -413.783515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.783515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.783515 (E_RNA) where: Base-Base interactions energy: -219.010 where: short stacking energy: -130.407 Base-Backbone interact. energy: -0.503 local terms energy: -194.269745 where: bonds (distance) C4'-P energy: -49.203 bonds (distance) P-C4' energy: -50.024 flat angles C4'-P-C4' energy: -55.123 flat angles P-C4'-P energy: -31.517 tors. eta vs tors. theta energy: -8.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -1193.926619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.926619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.926619 (E_RNA) where: Base-Base interactions energy: -845.075 where: short stacking energy: -338.352 Base-Backbone interact. energy: -3.363 local terms energy: -345.488640 where: bonds (distance) C4'-P energy: -65.873 bonds (distance) P-C4' energy: -60.238 flat angles C4'-P-C4' energy: -71.895 flat angles P-C4'-P energy: -43.717 tors. eta vs tors. theta energy: -103.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -1161.923042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1161.923042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1161.923042 (E_RNA) where: Base-Base interactions energy: -819.560 where: short stacking energy: -319.536 Base-Backbone interact. energy: -2.662 local terms energy: -339.701314 where: bonds (distance) C4'-P energy: -62.450 bonds (distance) P-C4' energy: -63.014 flat angles C4'-P-C4' energy: -76.942 flat angles P-C4'-P energy: -48.767 tors. eta vs tors. theta energy: -88.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -1133.029178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.029178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.029178 (E_RNA) where: Base-Base interactions energy: -785.653 where: short stacking energy: -318.492 Base-Backbone interact. energy: 1.093 local terms energy: -348.469002 where: bonds (distance) C4'-P energy: -69.079 bonds (distance) P-C4' energy: -57.101 flat angles C4'-P-C4' energy: -73.852 flat angles P-C4'-P energy: -46.993 tors. eta vs tors. theta energy: -101.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -998.657894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.657894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.657894 (E_RNA) where: Base-Base interactions energy: -676.181 where: short stacking energy: -309.050 Base-Backbone interact. energy: -0.952 local terms energy: -321.524854 where: bonds (distance) C4'-P energy: -54.113 bonds (distance) P-C4' energy: -58.898 flat angles C4'-P-C4' energy: -73.351 flat angles P-C4'-P energy: -48.838 tors. eta vs tors. theta energy: -86.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 428 Temperature: 1.100000 Total energy: -921.281882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.281882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.281882 (E_RNA) where: Base-Base interactions energy: -617.129 where: short stacking energy: -289.001 Base-Backbone interact. energy: 0.002 local terms energy: -304.154853 where: bonds (distance) C4'-P energy: -57.292 bonds (distance) P-C4' energy: -50.343 flat angles C4'-P-C4' energy: -61.709 flat angles P-C4'-P energy: -43.755 tors. eta vs tors. theta energy: -91.057 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: 5 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -806.413914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -806.413914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -806.413914 (E_RNA) where: Base-Base interactions energy: -532.346 where: short stacking energy: -230.417 Base-Backbone interact. energy: -2.773 local terms energy: -271.295174 where: bonds (distance) C4'-P energy: -65.904 bonds (distance) P-C4' energy: -48.522 flat angles C4'-P-C4' energy: -64.475 flat angles P-C4'-P energy: -38.950 tors. eta vs tors. theta energy: -53.443 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: 3 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -781.260199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.260199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.260199 (E_RNA) where: Base-Base interactions energy: -500.001 where: short stacking energy: -239.698 Base-Backbone interact. energy: 0.561 local terms energy: -281.820715 where: bonds (distance) C4'-P energy: -53.372 bonds (distance) P-C4' energy: -72.880 flat angles C4'-P-C4' energy: -60.958 flat angles P-C4'-P energy: -37.537 tors. eta vs tors. theta energy: -57.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -651.388556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -651.388556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -651.388556 (E_RNA) where: Base-Base interactions energy: -415.857 where: short stacking energy: -181.094 Base-Backbone interact. energy: -1.455 local terms energy: -234.076868 where: bonds (distance) C4'-P energy: -52.422 bonds (distance) P-C4' energy: -59.837 flat angles C4'-P-C4' energy: -51.808 flat angles P-C4'-P energy: -31.105 tors. eta vs tors. theta energy: -38.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -593.751387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -593.751387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -593.751387 (E_RNA) where: Base-Base interactions energy: -347.900 where: short stacking energy: -158.436 Base-Backbone interact. energy: -0.828 local terms energy: -245.023390 where: bonds (distance) C4'-P energy: -46.036 bonds (distance) P-C4' energy: -70.875 flat angles C4'-P-C4' energy: -62.435 flat angles P-C4'-P energy: -30.197 tors. eta vs tors. theta energy: -35.481 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: 7 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -418.385736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.385736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.385736 (E_RNA) where: Base-Base interactions energy: -213.936 where: short stacking energy: -125.807 Base-Backbone interact. energy: 2.164 local terms energy: -206.614144 where: bonds (distance) C4'-P energy: -48.161 bonds (distance) P-C4' energy: -59.404 flat angles C4'-P-C4' energy: -52.298 flat angles P-C4'-P energy: -34.647 tors. eta vs tors. theta energy: -12.105 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: 1, replica: 8 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -1208.849830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.849830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.849830 (E_RNA) where: Base-Base interactions energy: -827.885 where: short stacking energy: -344.221 Base-Backbone interact. energy: -2.135 local terms energy: -378.829516 where: bonds (distance) C4'-P energy: -70.225 bonds (distance) P-C4' energy: -67.006 flat angles C4'-P-C4' energy: -81.332 flat angles P-C4'-P energy: -55.510 tors. eta vs tors. theta energy: -104.756 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: 9 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -1167.308541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1167.308541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1167.308541 (E_RNA) where: Base-Base interactions energy: -809.741 where: short stacking energy: -344.060 Base-Backbone interact. energy: -3.506 local terms energy: -354.061652 where: bonds (distance) C4'-P energy: -68.550 bonds (distance) P-C4' energy: -57.825 flat angles C4'-P-C4' energy: -73.390 flat angles P-C4'-P energy: -51.062 tors. eta vs tors. theta energy: -103.235 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: 10 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -1121.796785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.796785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.796785 (E_RNA) where: Base-Base interactions energy: -806.312 where: short stacking energy: -322.756 Base-Backbone interact. energy: -0.492 local terms energy: -314.992869 where: bonds (distance) C4'-P energy: -57.093 bonds (distance) P-C4' energy: -65.138 flat angles C4'-P-C4' energy: -66.559 flat angles P-C4'-P energy: -42.313 tors. eta vs tors. theta energy: -83.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -991.100613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -991.100613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -991.100613 (E_RNA) where: Base-Base interactions energy: -687.428 where: short stacking energy: -318.650 Base-Backbone interact. energy: -0.772 local terms energy: -302.901150 where: bonds (distance) C4'-P energy: -61.956 bonds (distance) P-C4' energy: -48.511 flat angles C4'-P-C4' energy: -62.768 flat angles P-C4'-P energy: -47.742 tors. eta vs tors. theta energy: -81.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -938.200908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -938.200908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -938.200908 (E_RNA) where: Base-Base interactions energy: -629.207 where: short stacking energy: -309.518 Base-Backbone interact. energy: -1.225 local terms energy: -307.768546 where: bonds (distance) C4'-P energy: -50.369 bonds (distance) P-C4' energy: -59.243 flat angles C4'-P-C4' energy: -63.760 flat angles P-C4'-P energy: -53.689 tors. eta vs tors. theta energy: -80.708 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: 6, replica: 3 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -805.727577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.727577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.727577 (E_RNA) where: Base-Base interactions energy: -527.738 where: short stacking energy: -257.805 Base-Backbone interact. energy: -1.071 local terms energy: -276.919411 where: bonds (distance) C4'-P energy: -50.114 bonds (distance) P-C4' energy: -65.259 flat angles C4'-P-C4' energy: -58.439 flat angles P-C4'-P energy: -30.040 tors. eta vs tors. theta energy: -73.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -842.026603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -842.026603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -842.026603 (E_RNA) where: Base-Base interactions energy: -542.580 where: short stacking energy: -226.554 Base-Backbone interact. energy: 0.243 local terms energy: -299.688969 where: bonds (distance) C4'-P energy: -57.465 bonds (distance) P-C4' energy: -67.571 flat angles C4'-P-C4' energy: -67.244 flat angles P-C4'-P energy: -46.525 tors. eta vs tors. theta energy: -60.884 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: 2 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -663.770885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -663.770885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -663.770885 (E_RNA) where: Base-Base interactions energy: -417.263 where: short stacking energy: -177.557 Base-Backbone interact. energy: -1.515 local terms energy: -244.993107 where: bonds (distance) C4'-P energy: -50.305 bonds (distance) P-C4' energy: -52.943 flat angles C4'-P-C4' energy: -59.553 flat angles P-C4'-P energy: -42.383 tors. eta vs tors. theta energy: -39.809 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: 4 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -565.644602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -565.644602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -565.644602 (E_RNA) where: Base-Base interactions energy: -331.927 where: short stacking energy: -155.295 Base-Backbone interact. energy: -0.260 local terms energy: -233.458179 where: bonds (distance) C4'-P energy: -56.746 bonds (distance) P-C4' energy: -68.275 flat angles C4'-P-C4' energy: -48.147 flat angles P-C4'-P energy: -33.148 tors. eta vs tors. theta energy: -27.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -422.015993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.015993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.015993 (E_RNA) where: Base-Base interactions energy: -204.558 where: short stacking energy: -125.068 Base-Backbone interact. energy: -0.968 local terms energy: -216.489118 where: bonds (distance) C4'-P energy: -58.296 bonds (distance) P-C4' energy: -56.501 flat angles C4'-P-C4' energy: -52.529 flat angles P-C4'-P energy: -40.357 tors. eta vs tors. theta energy: -8.805 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: 1, replica: 8 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -1201.103944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.103944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.103944 (E_RNA) where: Base-Base interactions energy: -842.942 where: short stacking energy: -347.003 Base-Backbone interact. energy: -2.316 local terms energy: -355.845816 where: bonds (distance) C4'-P energy: -68.098 bonds (distance) P-C4' energy: -57.699 flat angles C4'-P-C4' energy: -79.829 flat angles P-C4'-P energy: -51.626 tors. eta vs tors. theta energy: -98.593 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: 9 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -1135.225078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1135.225078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1135.225078 (E_RNA) where: Base-Base interactions energy: -785.624 where: short stacking energy: -325.698 Base-Backbone interact. energy: -2.672 local terms energy: -346.929110 where: bonds (distance) C4'-P energy: -59.042 bonds (distance) P-C4' energy: -70.440 flat angles C4'-P-C4' energy: -75.704 flat angles P-C4'-P energy: -49.032 tors. eta vs tors. theta energy: -92.711 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: 10 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -1139.915782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.915782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.915782 (E_RNA) where: Base-Base interactions energy: -812.466 where: short stacking energy: -330.048 Base-Backbone interact. energy: -2.778 local terms energy: -324.672354 where: bonds (distance) C4'-P energy: -60.288 bonds (distance) P-C4' energy: -57.871 flat angles C4'-P-C4' energy: -74.348 flat angles P-C4'-P energy: -40.613 tors. eta vs tors. theta energy: -91.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -1021.727365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1021.727365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1021.727365 (E_RNA) where: Base-Base interactions energy: -701.873 where: short stacking energy: -291.544 Base-Backbone interact. energy: -1.680 local terms energy: -318.174437 where: bonds (distance) C4'-P energy: -59.141 bonds (distance) P-C4' energy: -65.606 flat angles C4'-P-C4' energy: -70.754 flat angles P-C4'-P energy: -47.971 tors. eta vs tors. theta energy: -74.703 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: 5, replica: 6 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -915.659371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -915.659371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -915.659371 (E_RNA) where: Base-Base interactions energy: -607.976 where: short stacking energy: -286.646 Base-Backbone interact. energy: 0.482 local terms energy: -308.164883 where: bonds (distance) C4'-P energy: -55.669 bonds (distance) P-C4' energy: -69.445 flat angles C4'-P-C4' energy: -57.553 flat angles P-C4'-P energy: -37.973 tors. eta vs tors. theta energy: -87.525 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: 6, replica: 3 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -805.124917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.124917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.124917 (E_RNA) where: Base-Base interactions energy: -530.749 where: short stacking energy: -244.629 Base-Backbone interact. energy: 0.851 local terms energy: -275.226557 where: bonds (distance) C4'-P energy: -59.031 bonds (distance) P-C4' energy: -63.312 flat angles C4'-P-C4' energy: -57.070 flat angles P-C4'-P energy: -43.678 tors. eta vs tors. theta energy: -52.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -771.418052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -771.418052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -771.418052 (E_RNA) where: Base-Base interactions energy: -492.890 where: short stacking energy: -204.947 Base-Backbone interact. energy: -0.171 local terms energy: -278.356829 where: bonds (distance) C4'-P energy: -41.979 bonds (distance) P-C4' energy: -65.901 flat angles C4'-P-C4' energy: -64.815 flat angles P-C4'-P energy: -51.408 tors. eta vs tors. theta energy: -54.253 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: 2 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -711.472412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -711.472412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -711.472412 (E_RNA) where: Base-Base interactions energy: -446.187 where: short stacking energy: -196.424 Base-Backbone interact. energy: -2.580 local terms energy: -262.705085 where: bonds (distance) C4'-P energy: -61.721 bonds (distance) P-C4' energy: -55.230 flat angles C4'-P-C4' energy: -57.024 flat angles P-C4'-P energy: -46.174 tors. eta vs tors. theta energy: -42.555 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: 4 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -589.171718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -589.171718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -589.171718 (E_RNA) where: Base-Base interactions energy: -363.763 where: short stacking energy: -195.279 Base-Backbone interact. energy: -1.536 local terms energy: -223.873123 where: bonds (distance) C4'-P energy: -47.011 bonds (distance) P-C4' energy: -43.567 flat angles C4'-P-C4' energy: -57.470 flat angles P-C4'-P energy: -40.924 tors. eta vs tors. theta energy: -34.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -443.621996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -443.621996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -443.621996 (E_RNA) where: Base-Base interactions energy: -226.426 where: short stacking energy: -133.618 Base-Backbone interact. energy: -0.232 local terms energy: -216.964040 where: bonds (distance) C4'-P energy: -53.513 bonds (distance) P-C4' energy: -61.847 flat angles C4'-P-C4' energy: -46.110 flat angles P-C4'-P energy: -35.707 tors. eta vs tors. theta energy: -19.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -1186.823412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.823412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.823412 (E_RNA) where: Base-Base interactions energy: -827.529 where: short stacking energy: -339.088 Base-Backbone interact. energy: -2.325 local terms energy: -356.969740 where: bonds (distance) C4'-P energy: -65.893 bonds (distance) P-C4' energy: -71.678 flat angles C4'-P-C4' energy: -65.390 flat angles P-C4'-P energy: -48.884 tors. eta vs tors. theta energy: -105.125 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: 2, replica: 9 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -1145.431356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.431356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.431356 (E_RNA) where: Base-Base interactions energy: -793.720 where: short stacking energy: -318.461 Base-Backbone interact. energy: -2.582 local terms energy: -349.129885 where: bonds (distance) C4'-P energy: -65.630 bonds (distance) P-C4' energy: -59.859 flat angles C4'-P-C4' energy: -71.223 flat angles P-C4'-P energy: -54.627 tors. eta vs tors. theta energy: -97.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -1126.945178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.945178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.945178 (E_RNA) where: Base-Base interactions energy: -817.573 where: short stacking energy: -322.140 Base-Backbone interact. energy: -2.482 local terms energy: -306.889912 where: bonds (distance) C4'-P energy: -56.240 bonds (distance) P-C4' energy: -59.318 flat angles C4'-P-C4' energy: -61.957 flat angles P-C4'-P energy: -38.749 tors. eta vs tors. theta energy: -90.625 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: 1 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -998.650895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.650895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.650895 (E_RNA) where: Base-Base interactions energy: -689.497 where: short stacking energy: -286.774 Base-Backbone interact. energy: -2.783 local terms energy: -306.371166 where: bonds (distance) C4'-P energy: -55.496 bonds (distance) P-C4' energy: -61.304 flat angles C4'-P-C4' energy: -66.845 flat angles P-C4'-P energy: -46.907 tors. eta vs tors. theta energy: -75.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -911.273448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.273448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.273448 (E_RNA) where: Base-Base interactions energy: -598.549 where: short stacking energy: -285.827 Base-Backbone interact. energy: -1.671 local terms energy: -311.053460 where: bonds (distance) C4'-P energy: -50.278 bonds (distance) P-C4' energy: -67.485 flat angles C4'-P-C4' energy: -70.863 flat angles P-C4'-P energy: -43.192 tors. eta vs tors. theta energy: -79.235 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: 6, replica: 3 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -762.211017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -762.211017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -762.211017 (E_RNA) where: Base-Base interactions energy: -488.997 where: short stacking energy: -219.193 Base-Backbone interact. energy: -1.884 local terms energy: -271.330085 where: bonds (distance) C4'-P energy: -59.895 bonds (distance) P-C4' energy: -57.720 flat angles C4'-P-C4' energy: -60.647 flat angles P-C4'-P energy: -43.548 tors. eta vs tors. theta energy: -49.520 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: 5 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -798.456483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -798.456483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -798.456483 (E_RNA) where: Base-Base interactions energy: -529.964 where: short stacking energy: -224.385 Base-Backbone interact. energy: -2.089 local terms energy: -266.403231 where: bonds (distance) C4'-P energy: -54.727 bonds (distance) P-C4' energy: -55.337 flat angles C4'-P-C4' energy: -63.805 flat angles P-C4'-P energy: -40.921 tors. eta vs tors. theta energy: -51.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -709.428118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.428118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.428118 (E_RNA) where: Base-Base interactions energy: -475.113 where: short stacking energy: -195.967 Base-Backbone interact. energy: 0.192 local terms energy: -234.507567 where: bonds (distance) C4'-P energy: -61.449 bonds (distance) P-C4' energy: -46.239 flat angles C4'-P-C4' energy: -60.569 flat angles P-C4'-P energy: -20.964 tors. eta vs tors. theta energy: -45.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -591.698665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.698665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.698665 (E_RNA) where: Base-Base interactions energy: -384.299 where: short stacking energy: -159.122 Base-Backbone interact. energy: -2.261 local terms energy: -205.138670 where: bonds (distance) C4'-P energy: -48.152 bonds (distance) P-C4' energy: -47.285 flat angles C4'-P-C4' energy: -53.327 flat angles P-C4'-P energy: -41.807 tors. eta vs tors. theta energy: -14.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -413.630955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.630955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.630955 (E_RNA) where: Base-Base interactions energy: -212.604 where: short stacking energy: -114.152 Base-Backbone interact. energy: -0.994 local terms energy: -200.032991 where: bonds (distance) C4'-P energy: -50.777 bonds (distance) P-C4' energy: -54.433 flat angles C4'-P-C4' energy: -55.522 flat angles P-C4'-P energy: -33.658 tors. eta vs tors. theta energy: -5.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -1206.810471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.810471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.810471 (E_RNA) where: Base-Base interactions energy: -846.005 where: short stacking energy: -342.658 Base-Backbone interact. energy: -2.892 local terms energy: -357.913356 where: bonds (distance) C4'-P energy: -68.157 bonds (distance) P-C4' energy: -69.330 flat angles C4'-P-C4' energy: -66.188 flat angles P-C4'-P energy: -54.778 tors. eta vs tors. theta energy: -99.461 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: 9 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -1150.378392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.378392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.378392 (E_RNA) where: Base-Base interactions energy: -781.200 where: short stacking energy: -332.152 Base-Backbone interact. energy: 0.149 local terms energy: -369.326858 where: bonds (distance) C4'-P energy: -73.725 bonds (distance) P-C4' energy: -67.809 flat angles C4'-P-C4' energy: -75.758 flat angles P-C4'-P energy: -48.947 tors. eta vs tors. theta energy: -103.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -1112.859145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.859145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.859145 (E_RNA) where: Base-Base interactions energy: -776.346 where: short stacking energy: -310.754 Base-Backbone interact. energy: -1.460 local terms energy: -335.052209 where: bonds (distance) C4'-P energy: -55.037 bonds (distance) P-C4' energy: -63.486 flat angles C4'-P-C4' energy: -81.157 flat angles P-C4'-P energy: -50.453 tors. eta vs tors. theta energy: -84.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -1004.238515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1004.238515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1004.238515 (E_RNA) where: Base-Base interactions energy: -668.791 where: short stacking energy: -294.398 Base-Backbone interact. energy: 0.339 local terms energy: -335.785594 where: bonds (distance) C4'-P energy: -55.036 bonds (distance) P-C4' energy: -67.948 flat angles C4'-P-C4' energy: -73.053 flat angles P-C4'-P energy: -48.473 tors. eta vs tors. theta energy: -91.276 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: 5, replica: 6 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -930.106129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -930.106129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -930.106129 (E_RNA) where: Base-Base interactions energy: -607.969 where: short stacking energy: -287.773 Base-Backbone interact. energy: -1.298 local terms energy: -320.839390 where: bonds (distance) C4'-P energy: -57.015 bonds (distance) P-C4' energy: -60.927 flat angles C4'-P-C4' energy: -66.659 flat angles P-C4'-P energy: -37.669 tors. eta vs tors. theta energy: -98.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -774.537246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -774.537246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -774.537246 (E_RNA) where: Base-Base interactions energy: -491.201 where: short stacking energy: -253.464 Base-Backbone interact. energy: -0.658 local terms energy: -282.678193 where: bonds (distance) C4'-P energy: -65.202 bonds (distance) P-C4' energy: -58.622 flat angles C4'-P-C4' energy: -58.170 flat angles P-C4'-P energy: -49.891 tors. eta vs tors. theta energy: -50.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -805.778962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -805.778962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -805.778962 (E_RNA) where: Base-Base interactions energy: -517.756 where: short stacking energy: -227.891 Base-Backbone interact. energy: -1.853 local terms energy: -286.169700 where: bonds (distance) C4'-P energy: -70.881 bonds (distance) P-C4' energy: -63.131 flat angles C4'-P-C4' energy: -57.790 flat angles P-C4'-P energy: -30.830 tors. eta vs tors. theta energy: -63.538 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: 2 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -726.795791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.795791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.795791 (E_RNA) where: Base-Base interactions energy: -476.065 where: short stacking energy: -207.339 Base-Backbone interact. energy: 0.131 local terms energy: -250.861076 where: bonds (distance) C4'-P energy: -39.244 bonds (distance) P-C4' energy: -41.703 flat angles C4'-P-C4' energy: -64.183 flat angles P-C4'-P energy: -56.741 tors. eta vs tors. theta energy: -48.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -579.253254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.253254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.253254 (E_RNA) where: Base-Base interactions energy: -388.280 where: short stacking energy: -165.688 Base-Backbone interact. energy: -0.112 local terms energy: -190.861705 where: bonds (distance) C4'-P energy: -50.535 bonds (distance) P-C4' energy: -48.743 flat angles C4'-P-C4' energy: -51.071 flat angles P-C4'-P energy: -18.829 tors. eta vs tors. theta energy: -21.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 432 Temperature: 1.350000 Total energy: -421.050339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.050339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.050339 (E_RNA) where: Base-Base interactions energy: -224.589 where: short stacking energy: -110.388 Base-Backbone interact. energy: 0.123 local terms energy: -196.583970 where: bonds (distance) C4'-P energy: -52.007 bonds (distance) P-C4' energy: -64.219 flat angles C4'-P-C4' energy: -50.356 flat angles P-C4'-P energy: -34.129 tors. eta vs tors. theta energy: 4.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -1186.090730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1186.090730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1186.090730 (E_RNA) where: Base-Base interactions energy: -836.716 where: short stacking energy: -330.581 Base-Backbone interact. energy: -3.126 local terms energy: -346.248621 where: bonds (distance) C4'-P energy: -54.629 bonds (distance) P-C4' energy: -67.101 flat angles C4'-P-C4' energy: -73.915 flat angles P-C4'-P energy: -49.486 tors. eta vs tors. theta energy: -101.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -1170.138016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1170.138016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1170.138016 (E_RNA) where: Base-Base interactions energy: -828.147 where: short stacking energy: -342.795 Base-Backbone interact. energy: -2.651 local terms energy: -339.339810 where: bonds (distance) C4'-P energy: -56.500 bonds (distance) P-C4' energy: -59.480 flat angles C4'-P-C4' energy: -73.408 flat angles P-C4'-P energy: -48.950 tors. eta vs tors. theta energy: -101.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -1123.796143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1123.796143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1123.796143 (E_RNA) where: Base-Base interactions energy: -786.690 where: short stacking energy: -325.457 Base-Backbone interact. energy: -0.080 local terms energy: -337.025933 where: bonds (distance) C4'-P energy: -60.833 bonds (distance) P-C4' energy: -63.512 flat angles C4'-P-C4' energy: -72.549 flat angles P-C4'-P energy: -51.115 tors. eta vs tors. theta energy: -89.018 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: 1 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -1020.999607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1020.999607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1020.999607 (E_RNA) where: Base-Base interactions energy: -696.149 where: short stacking energy: -307.922 Base-Backbone interact. energy: -0.216 local terms energy: -324.634442 where: bonds (distance) C4'-P energy: -60.509 bonds (distance) P-C4' energy: -57.058 flat angles C4'-P-C4' energy: -67.265 flat angles P-C4'-P energy: -46.360 tors. eta vs tors. theta energy: -93.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -912.910586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -912.910586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -912.910586 (E_RNA) where: Base-Base interactions energy: -588.889 where: short stacking energy: -284.027 Base-Backbone interact. energy: -0.598 local terms energy: -323.423162 where: bonds (distance) C4'-P energy: -68.167 bonds (distance) P-C4' energy: -52.272 flat angles C4'-P-C4' energy: -64.716 flat angles P-C4'-P energy: -52.782 tors. eta vs tors. theta energy: -85.487 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: 3 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -814.382826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.382826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.382826 (E_RNA) where: Base-Base interactions energy: -529.182 where: short stacking energy: -244.613 Base-Backbone interact. energy: -2.595 local terms energy: -282.605908 where: bonds (distance) C4'-P energy: -65.521 bonds (distance) P-C4' energy: -64.030 flat angles C4'-P-C4' energy: -59.707 flat angles P-C4'-P energy: -40.085 tors. eta vs tors. theta energy: -53.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -760.730129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.730129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.730129 (E_RNA) where: Base-Base interactions energy: -481.130 where: short stacking energy: -209.200 Base-Backbone interact. energy: 2.060 local terms energy: -281.660642 where: bonds (distance) C4'-P energy: -59.651 bonds (distance) P-C4' energy: -69.767 flat angles C4'-P-C4' energy: -59.217 flat angles P-C4'-P energy: -42.138 tors. eta vs tors. theta energy: -50.888 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: 433 Temperature: 1.250000 Total energy: -739.987101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.987101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.987101 (E_RNA) where: Base-Base interactions energy: -494.039 where: short stacking energy: -203.196 Base-Backbone interact. energy: 0.599 local terms energy: -246.546910 where: bonds (distance) C4'-P energy: -50.304 bonds (distance) P-C4' energy: -56.255 flat angles C4'-P-C4' energy: -56.434 flat angles P-C4'-P energy: -44.839 tors. eta vs tors. theta energy: -38.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -575.440862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.440862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.440862 (E_RNA) where: Base-Base interactions energy: -349.688 where: short stacking energy: -158.402 Base-Backbone interact. energy: -0.517 local terms energy: -225.235494 where: bonds (distance) C4'-P energy: -60.644 bonds (distance) P-C4' energy: -66.400 flat angles C4'-P-C4' energy: -42.616 flat angles P-C4'-P energy: -26.251 tors. eta vs tors. theta energy: -29.324 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: 10, replica: 7 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -400.292575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -400.292575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -400.292575 (E_RNA) where: Base-Base interactions energy: -234.042 where: short stacking energy: -102.735 Base-Backbone interact. energy: 8.894 local terms energy: -175.144071 where: bonds (distance) C4'-P energy: -66.086 bonds (distance) P-C4' energy: -60.548 flat angles C4'-P-C4' energy: -29.518 flat angles P-C4'-P energy: -22.940 tors. eta vs tors. theta energy: 3.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -1197.788353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.788353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.788353 (E_RNA) where: Base-Base interactions energy: -843.880 where: short stacking energy: -333.960 Base-Backbone interact. energy: -3.449 local terms energy: -350.459227 where: bonds (distance) C4'-P energy: -62.640 bonds (distance) P-C4' energy: -59.438 flat angles C4'-P-C4' energy: -76.727 flat angles P-C4'-P energy: -54.238 tors. eta vs tors. theta energy: -97.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 434 Temperature: 0.950000 Total energy: -1126.484047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.484047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.484047 (E_RNA) where: Base-Base interactions energy: -798.703 where: short stacking energy: -320.470 Base-Backbone interact. energy: 0.604 local terms energy: -328.384950 where: bonds (distance) C4'-P energy: -58.030 bonds (distance) P-C4' energy: -70.044 flat angles C4'-P-C4' energy: -66.789 flat angles P-C4'-P energy: -40.175 tors. eta vs tors. theta energy: -93.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -1126.872669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.872669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.872669 (E_RNA) where: Base-Base interactions energy: -787.076 where: short stacking energy: -309.351 Base-Backbone interact. energy: -2.793 local terms energy: -337.004181 where: bonds (distance) C4'-P energy: -64.397 bonds (distance) P-C4' energy: -61.868 flat angles C4'-P-C4' energy: -77.811 flat angles P-C4'-P energy: -40.867 tors. eta vs tors. theta energy: -92.060 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: 1 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -1005.442400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.442400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.442400 (E_RNA) where: Base-Base interactions energy: -683.308 where: short stacking energy: -293.913 Base-Backbone interact. energy: -0.176 local terms energy: -321.958740 where: bonds (distance) C4'-P energy: -47.599 bonds (distance) P-C4' energy: -68.909 flat angles C4'-P-C4' energy: -66.948 flat angles P-C4'-P energy: -42.819 tors. eta vs tors. theta energy: -95.684 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: 5, replica: 6 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -934.341552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -934.341552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -934.341552 (E_RNA) where: Base-Base interactions energy: -611.893 where: short stacking energy: -291.002 Base-Backbone interact. energy: -1.484 local terms energy: -320.963738 where: bonds (distance) C4'-P energy: -61.598 bonds (distance) P-C4' energy: -55.097 flat angles C4'-P-C4' energy: -76.604 flat angles P-C4'-P energy: -41.645 tors. eta vs tors. theta energy: -86.020 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: 6, replica: 3 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -801.876587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -801.876587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -801.876587 (E_RNA) where: Base-Base interactions energy: -513.847 where: short stacking energy: -248.502 Base-Backbone interact. energy: 0.246 local terms energy: -288.275195 where: bonds (distance) C4'-P energy: -50.093 bonds (distance) P-C4' energy: -59.188 flat angles C4'-P-C4' energy: -71.648 flat angles P-C4'-P energy: -44.599 tors. eta vs tors. theta energy: -62.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -785.549910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -785.549910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -785.549910 (E_RNA) where: Base-Base interactions energy: -516.962 where: short stacking energy: -232.100 Base-Backbone interact. energy: -0.209 local terms energy: -268.379078 where: bonds (distance) C4'-P energy: -53.649 bonds (distance) P-C4' energy: -62.838 flat angles C4'-P-C4' energy: -56.191 flat angles P-C4'-P energy: -46.505 tors. eta vs tors. theta energy: -49.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -715.594573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -715.594573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -715.594573 (E_RNA) where: Base-Base interactions energy: -476.723 where: short stacking energy: -194.363 Base-Backbone interact. energy: -1.137 local terms energy: -237.733947 where: bonds (distance) C4'-P energy: -60.212 bonds (distance) P-C4' energy: -53.106 flat angles C4'-P-C4' energy: -56.296 flat angles P-C4'-P energy: -37.971 tors. eta vs tors. theta energy: -30.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -595.698622 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.698622 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.698622 (E_RNA) where: Base-Base interactions energy: -362.549 where: short stacking energy: -179.366 Base-Backbone interact. energy: -0.963 local terms energy: -232.186454 where: bonds (distance) C4'-P energy: -62.288 bonds (distance) P-C4' energy: -54.011 flat angles C4'-P-C4' energy: -57.598 flat angles P-C4'-P energy: -26.186 tors. eta vs tors. theta energy: -32.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -408.141050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.141050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.141050 (E_RNA) where: Base-Base interactions energy: -212.509 where: short stacking energy: -123.785 Base-Backbone interact. energy: -1.405 local terms energy: -194.227472 where: bonds (distance) C4'-P energy: -57.096 bonds (distance) P-C4' energy: -58.029 flat angles C4'-P-C4' energy: -46.430 flat angles P-C4'-P energy: -24.627 tors. eta vs tors. theta energy: -8.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -1219.129203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1219.129203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1219.129203 (E_RNA) where: Base-Base interactions energy: -854.385 where: short stacking energy: -329.611 Base-Backbone interact. energy: -3.452 local terms energy: -361.292909 where: bonds (distance) C4'-P energy: -61.133 bonds (distance) P-C4' energy: -74.015 flat angles C4'-P-C4' energy: -71.608 flat angles P-C4'-P energy: -56.205 tors. eta vs tors. theta energy: -98.332 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: 9 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -1115.350173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1115.350173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1115.350173 (E_RNA) where: Base-Base interactions energy: -777.322 where: short stacking energy: -302.372 Base-Backbone interact. energy: 0.118 local terms energy: -338.145939 where: bonds (distance) C4'-P energy: -56.467 bonds (distance) P-C4' energy: -67.668 flat angles C4'-P-C4' energy: -69.423 flat angles P-C4'-P energy: -50.625 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: 3, replica: 10 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -1117.353355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.353355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.353355 (E_RNA) where: Base-Base interactions energy: -791.106 where: short stacking energy: -321.379 Base-Backbone interact. energy: -0.961 local terms energy: -325.286428 where: bonds (distance) C4'-P energy: -62.446 bonds (distance) P-C4' energy: -61.379 flat angles C4'-P-C4' energy: -66.900 flat angles P-C4'-P energy: -40.568 tors. eta vs tors. theta energy: -93.994 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: 4, replica: 1 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -995.585643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -995.585643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -995.585643 (E_RNA) where: Base-Base interactions energy: -676.079 where: short stacking energy: -292.459 Base-Backbone interact. energy: -1.830 local terms energy: -317.676052 where: bonds (distance) C4'-P energy: -58.566 bonds (distance) P-C4' energy: -62.686 flat angles C4'-P-C4' energy: -61.518 flat angles P-C4'-P energy: -53.115 tors. eta vs tors. theta energy: -81.791 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: 6 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -908.473721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.473721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.473721 (E_RNA) where: Base-Base interactions energy: -599.942 where: short stacking energy: -277.360 Base-Backbone interact. energy: -0.613 local terms energy: -307.919141 where: bonds (distance) C4'-P energy: -55.534 bonds (distance) P-C4' energy: -58.752 flat angles C4'-P-C4' energy: -66.253 flat angles P-C4'-P energy: -46.929 tors. eta vs tors. theta energy: -80.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -824.502421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -824.502421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -824.502421 (E_RNA) where: Base-Base interactions energy: -537.415 where: short stacking energy: -237.371 Base-Backbone interact. energy: -1.095 local terms energy: -285.991908 where: bonds (distance) C4'-P energy: -66.674 bonds (distance) P-C4' energy: -67.568 flat angles C4'-P-C4' energy: -64.740 flat angles P-C4'-P energy: -34.839 tors. eta vs tors. theta energy: -52.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -750.714378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -750.714378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -750.714378 (E_RNA) where: Base-Base interactions energy: -506.356 where: short stacking energy: -221.143 Base-Backbone interact. energy: -1.934 local terms energy: -242.424548 where: bonds (distance) C4'-P energy: -51.536 bonds (distance) P-C4' energy: -48.984 flat angles C4'-P-C4' energy: -53.435 flat angles P-C4'-P energy: -36.482 tors. eta vs tors. theta energy: -51.987 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: 2 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -705.586845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.586845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.586845 (E_RNA) where: Base-Base interactions energy: -467.160 where: short stacking energy: -193.322 Base-Backbone interact. energy: -0.640 local terms energy: -237.787650 where: bonds (distance) C4'-P energy: -49.580 bonds (distance) P-C4' energy: -50.179 flat angles C4'-P-C4' energy: -54.379 flat angles P-C4'-P energy: -40.809 tors. eta vs tors. theta energy: -42.840 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -612.462265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -612.462265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -612.462265 (E_RNA) where: Base-Base interactions energy: -366.495 where: short stacking energy: -167.569 Base-Backbone interact. energy: -1.617 local terms energy: -244.349740 where: bonds (distance) C4'-P energy: -53.811 bonds (distance) P-C4' energy: -61.676 flat angles C4'-P-C4' energy: -60.458 flat angles P-C4'-P energy: -36.969 tors. eta vs tors. theta energy: -31.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -418.258544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -418.258544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -418.258544 (E_RNA) where: Base-Base interactions energy: -228.532 where: short stacking energy: -138.233 Base-Backbone interact. energy: 3.747 local terms energy: -193.473677 where: bonds (distance) C4'-P energy: -59.054 bonds (distance) P-C4' energy: -49.294 flat angles C4'-P-C4' energy: -45.817 flat angles P-C4'-P energy: -31.527 tors. eta vs tors. theta energy: -7.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -1203.580848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.580848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.580848 (E_RNA) where: Base-Base interactions energy: -842.940 where: short stacking energy: -332.435 Base-Backbone interact. energy: -2.696 local terms energy: -357.944998 where: bonds (distance) C4'-P energy: -70.677 bonds (distance) P-C4' energy: -66.968 flat angles C4'-P-C4' energy: -66.252 flat angles P-C4'-P energy: -56.017 tors. eta vs tors. theta energy: -98.031 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: 2, replica: 9 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -1109.632755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1109.632755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1109.632755 (E_RNA) where: Base-Base interactions energy: -772.945 where: short stacking energy: -307.507 Base-Backbone interact. energy: 1.232 local terms energy: -337.919102 where: bonds (distance) C4'-P energy: -61.943 bonds (distance) P-C4' energy: -62.975 flat angles C4'-P-C4' energy: -73.563 flat angles P-C4'-P energy: -49.600 tors. eta vs tors. theta energy: -89.839 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: 10 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -1119.677836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.677836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.677836 (E_RNA) where: Base-Base interactions energy: -780.155 where: short stacking energy: -333.504 Base-Backbone interact. energy: -1.405 local terms energy: -338.117990 where: bonds (distance) C4'-P energy: -60.594 bonds (distance) P-C4' energy: -66.314 flat angles C4'-P-C4' energy: -63.037 flat angles P-C4'-P energy: -51.887 tors. eta vs tors. theta energy: -96.286 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: 4, replica: 1 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -1018.715090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1018.715090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1018.715090 (E_RNA) where: Base-Base interactions energy: -682.233 where: short stacking energy: -295.640 Base-Backbone interact. energy: -2.283 local terms energy: -334.199171 where: bonds (distance) C4'-P energy: -66.214 bonds (distance) P-C4' energy: -65.034 flat angles C4'-P-C4' energy: -70.720 flat angles P-C4'-P energy: -37.981 tors. eta vs tors. theta energy: -94.250 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: 5, replica: 6 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -884.562689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.562689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.562689 (E_RNA) where: Base-Base interactions energy: -570.706 where: short stacking energy: -274.434 Base-Backbone interact. energy: -2.096 local terms energy: -311.760690 where: bonds (distance) C4'-P energy: -64.754 bonds (distance) P-C4' energy: -58.638 flat angles C4'-P-C4' energy: -74.752 flat angles P-C4'-P energy: -43.116 tors. eta vs tors. theta energy: -70.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -847.017808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.017808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.017808 (E_RNA) where: Base-Base interactions energy: -568.108 where: short stacking energy: -250.277 Base-Backbone interact. energy: -2.100 local terms energy: -276.810325 where: bonds (distance) C4'-P energy: -51.606 bonds (distance) P-C4' energy: -67.619 flat angles C4'-P-C4' energy: -61.223 flat angles P-C4'-P energy: -41.449 tors. eta vs tors. theta energy: -54.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -747.391076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -747.391076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -747.391076 (E_RNA) where: Base-Base interactions energy: -470.932 where: short stacking energy: -213.204 Base-Backbone interact. energy: -0.676 local terms energy: -275.783472 where: bonds (distance) C4'-P energy: -63.627 bonds (distance) P-C4' energy: -61.597 flat angles C4'-P-C4' energy: -57.883 flat angles P-C4'-P energy: -39.083 tors. eta vs tors. theta energy: -53.592 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: 3 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -719.548271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -719.548271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -719.548271 (E_RNA) where: Base-Base interactions energy: -477.846 where: short stacking energy: -224.861 Base-Backbone interact. energy: 0.417 local terms energy: -242.119408 where: bonds (distance) C4'-P energy: -48.434 bonds (distance) P-C4' energy: -56.068 flat angles C4'-P-C4' energy: -55.253 flat angles P-C4'-P energy: -25.019 tors. eta vs tors. theta energy: -57.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -614.031755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -614.031755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -614.031755 (E_RNA) where: Base-Base interactions energy: -375.559 where: short stacking energy: -151.946 Base-Backbone interact. energy: -0.662 local terms energy: -237.810724 where: bonds (distance) C4'-P energy: -65.145 bonds (distance) P-C4' energy: -61.009 flat angles C4'-P-C4' energy: -38.493 flat angles P-C4'-P energy: -38.010 tors. eta vs tors. theta energy: -35.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -422.091059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -422.091059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -422.091059 (E_RNA) where: Base-Base interactions energy: -202.642 where: short stacking energy: -118.190 Base-Backbone interact. energy: -1.482 local terms energy: -217.967075 where: bonds (distance) C4'-P energy: -60.671 bonds (distance) P-C4' energy: -56.617 flat angles C4'-P-C4' energy: -55.844 flat angles P-C4'-P energy: -34.728 tors. eta vs tors. theta energy: -10.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -1221.534323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1221.534323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1221.534323 (E_RNA) where: Base-Base interactions energy: -862.390 where: short stacking energy: -342.934 Base-Backbone interact. energy: -2.813 local terms energy: -356.331123 where: bonds (distance) C4'-P energy: -60.045 bonds (distance) P-C4' energy: -68.180 flat angles C4'-P-C4' energy: -75.974 flat angles P-C4'-P energy: -52.529 tors. eta vs tors. theta energy: -99.603 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: 10 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -1145.579984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.579984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.579984 (E_RNA) where: Base-Base interactions energy: -795.064 where: short stacking energy: -335.149 Base-Backbone interact. energy: -2.539 local terms energy: -347.977366 where: bonds (distance) C4'-P energy: -60.952 bonds (distance) P-C4' energy: -69.013 flat angles C4'-P-C4' energy: -79.454 flat angles P-C4'-P energy: -51.133 tors. eta vs tors. theta energy: -87.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -1072.589332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1072.589332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1072.589332 (E_RNA) where: Base-Base interactions energy: -746.899 where: short stacking energy: -293.104 Base-Backbone interact. energy: 2.988 local terms energy: -328.677532 where: bonds (distance) C4'-P energy: -56.357 bonds (distance) P-C4' energy: -66.433 flat angles C4'-P-C4' energy: -73.482 flat angles P-C4'-P energy: -45.542 tors. eta vs tors. theta energy: -86.864 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: 1 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -1010.716051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.716051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.716051 (E_RNA) where: Base-Base interactions energy: -666.375 where: short stacking energy: -300.299 Base-Backbone interact. energy: -3.541 local terms energy: -340.800424 where: bonds (distance) C4'-P energy: -68.953 bonds (distance) P-C4' energy: -60.980 flat angles C4'-P-C4' energy: -73.877 flat angles P-C4'-P energy: -53.657 tors. eta vs tors. theta energy: -83.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -914.941123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.941123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.941123 (E_RNA) where: Base-Base interactions energy: -591.744 where: short stacking energy: -275.970 Base-Backbone interact. energy: 0.633 local terms energy: -323.829956 where: bonds (distance) C4'-P energy: -60.170 bonds (distance) P-C4' energy: -65.133 flat angles C4'-P-C4' energy: -66.525 flat angles P-C4'-P energy: -45.916 tors. eta vs tors. theta energy: -86.086 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: 5 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -884.383805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.383805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.383805 (E_RNA) where: Base-Base interactions energy: -590.011 where: short stacking energy: -267.359 Base-Backbone interact. energy: 1.694 local terms energy: -296.067444 where: bonds (distance) C4'-P energy: -61.690 bonds (distance) P-C4' energy: -55.639 flat angles C4'-P-C4' energy: -69.075 flat angles P-C4'-P energy: -36.403 tors. eta vs tors. theta energy: -73.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -757.808866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -757.808866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -757.808866 (E_RNA) where: Base-Base interactions energy: -507.650 where: short stacking energy: -220.283 Base-Backbone interact. energy: -3.075 local terms energy: -247.083751 where: bonds (distance) C4'-P energy: -48.344 bonds (distance) P-C4' energy: -52.901 flat angles C4'-P-C4' energy: -57.627 flat angles P-C4'-P energy: -34.477 tors. eta vs tors. theta energy: -53.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -632.547191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -632.547191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -632.547191 (E_RNA) where: Base-Base interactions energy: -405.033 where: short stacking energy: -187.779 Base-Backbone interact. energy: -1.693 local terms energy: -225.820871 where: bonds (distance) C4'-P energy: -53.146 bonds (distance) P-C4' energy: -61.131 flat angles C4'-P-C4' energy: -49.544 flat angles P-C4'-P energy: -29.240 tors. eta vs tors. theta energy: -32.759 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: 3 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -607.744042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -607.744042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -607.744042 (E_RNA) where: Base-Base interactions energy: -387.806 where: short stacking energy: -169.228 Base-Backbone interact. energy: -1.190 local terms energy: -218.747648 where: bonds (distance) C4'-P energy: -57.332 bonds (distance) P-C4' energy: -50.997 flat angles C4'-P-C4' energy: -45.896 flat angles P-C4'-P energy: -35.372 tors. eta vs tors. theta energy: -29.151 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: 7 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -399.307266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -399.307266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -399.307266 (E_RNA) where: Base-Base interactions energy: -223.496 where: short stacking energy: -94.344 Base-Backbone interact. energy: 0.294 local terms energy: -176.105927 where: bonds (distance) C4'-P energy: -47.320 bonds (distance) P-C4' energy: -57.919 flat angles C4'-P-C4' energy: -56.450 flat angles P-C4'-P energy: -23.175 tors. eta vs tors. theta energy: 8.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 438 Temperature: 0.900000 Total energy: -1205.442110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.442110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.442110 (E_RNA) where: Base-Base interactions energy: -849.446 where: short stacking energy: -333.986 Base-Backbone interact. energy: -3.273 local terms energy: -352.723474 where: bonds (distance) C4'-P energy: -65.669 bonds (distance) P-C4' energy: -55.665 flat angles C4'-P-C4' energy: -77.409 flat angles P-C4'-P energy: -49.556 tors. eta vs tors. theta energy: -104.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -1146.647670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.647670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.647670 (E_RNA) where: Base-Base interactions energy: -798.158 where: short stacking energy: -326.554 Base-Backbone interact. energy: -2.576 local terms energy: -345.913468 where: bonds (distance) C4'-P energy: -68.256 bonds (distance) P-C4' energy: -69.117 flat angles C4'-P-C4' energy: -68.180 flat angles P-C4'-P energy: -44.876 tors. eta vs tors. theta energy: -95.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -1113.825489 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.825489 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.825489 (E_RNA) where: Base-Base interactions energy: -785.959 where: short stacking energy: -306.386 Base-Backbone interact. energy: 2.894 local terms energy: -330.760113 where: bonds (distance) C4'-P energy: -60.764 bonds (distance) P-C4' energy: -65.678 flat angles C4'-P-C4' energy: -71.388 flat angles P-C4'-P energy: -46.089 tors. eta vs tors. theta energy: -86.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -958.173165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -958.173165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -958.173165 (E_RNA) where: Base-Base interactions energy: -650.366 where: short stacking energy: -287.494 Base-Backbone interact. energy: -0.878 local terms energy: -306.928630 where: bonds (distance) C4'-P energy: -48.578 bonds (distance) P-C4' energy: -55.712 flat angles C4'-P-C4' energy: -72.789 flat angles P-C4'-P energy: -46.698 tors. eta vs tors. theta energy: -83.151 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: 6 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -884.350401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.350401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.350401 (E_RNA) where: Base-Base interactions energy: -573.505 where: short stacking energy: -282.008 Base-Backbone interact. energy: -1.583 local terms energy: -309.262885 where: bonds (distance) C4'-P energy: -62.780 bonds (distance) P-C4' energy: -55.904 flat angles C4'-P-C4' energy: -76.207 flat angles P-C4'-P energy: -34.090 tors. eta vs tors. theta energy: -80.282 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: 5 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -878.875711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -878.875711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -878.875711 (E_RNA) where: Base-Base interactions energy: -590.689 where: short stacking energy: -261.243 Base-Backbone interact. energy: -1.108 local terms energy: -287.078608 where: bonds (distance) C4'-P energy: -63.511 bonds (distance) P-C4' energy: -56.066 flat angles C4'-P-C4' energy: -68.535 flat angles P-C4'-P energy: -37.826 tors. eta vs tors. theta energy: -61.141 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: 7, replica: 2 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -777.233063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.233063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.233063 (E_RNA) where: Base-Base interactions energy: -520.494 where: short stacking energy: -200.831 Base-Backbone interact. energy: -1.054 local terms energy: -255.685337 where: bonds (distance) C4'-P energy: -55.153 bonds (distance) P-C4' energy: -53.008 flat angles C4'-P-C4' energy: -60.852 flat angles P-C4'-P energy: -42.936 tors. eta vs tors. theta energy: -43.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -628.542931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -628.542931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -628.542931 (E_RNA) where: Base-Base interactions energy: -390.447 where: short stacking energy: -181.883 Base-Backbone interact. energy: 0.036 local terms energy: -238.132307 where: bonds (distance) C4'-P energy: -49.393 bonds (distance) P-C4' energy: -63.087 flat angles C4'-P-C4' energy: -56.237 flat angles P-C4'-P energy: -35.794 tors. eta vs tors. theta energy: -33.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -603.098903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.098903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.098903 (E_RNA) where: Base-Base interactions energy: -369.348 where: short stacking energy: -144.079 Base-Backbone interact. energy: -3.857 local terms energy: -229.893841 where: bonds (distance) C4'-P energy: -51.565 bonds (distance) P-C4' energy: -70.900 flat angles C4'-P-C4' energy: -49.520 flat angles P-C4'-P energy: -36.550 tors. eta vs tors. theta energy: -21.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -415.054480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -415.054480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -415.054480 (E_RNA) where: Base-Base interactions energy: -235.815 where: short stacking energy: -126.484 Base-Backbone interact. energy: -2.071 local terms energy: -177.168605 where: bonds (distance) C4'-P energy: -49.450 bonds (distance) P-C4' energy: -56.035 flat angles C4'-P-C4' energy: -40.603 flat angles P-C4'-P energy: -28.590 tors. eta vs tors. theta energy: -2.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -1174.367127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.367127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.367127 (E_RNA) where: Base-Base interactions energy: -830.613 where: short stacking energy: -332.897 Base-Backbone interact. energy: -0.623 local terms energy: -343.130966 where: bonds (distance) C4'-P energy: -71.054 bonds (distance) P-C4' energy: -55.580 flat angles C4'-P-C4' energy: -77.210 flat angles P-C4'-P energy: -36.173 tors. eta vs tors. theta energy: -103.114 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: 10 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -1143.948337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.948337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.948337 (E_RNA) where: Base-Base interactions energy: -796.335 where: short stacking energy: -321.257 Base-Backbone interact. energy: -3.050 local terms energy: -344.563935 where: bonds (distance) C4'-P energy: -68.399 bonds (distance) P-C4' energy: -65.652 flat angles C4'-P-C4' energy: -66.805 flat angles P-C4'-P energy: -48.343 tors. eta vs tors. theta energy: -95.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -1091.872344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1091.872344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1091.872344 (E_RNA) where: Base-Base interactions energy: -779.560 where: short stacking energy: -321.705 Base-Backbone interact. energy: -0.094 local terms energy: -312.218106 where: bonds (distance) C4'-P energy: -55.699 bonds (distance) P-C4' energy: -55.409 flat angles C4'-P-C4' energy: -71.920 flat angles P-C4'-P energy: -37.302 tors. eta vs tors. theta energy: -91.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -974.517488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.517488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.517488 (E_RNA) where: Base-Base interactions energy: -646.603 where: short stacking energy: -287.461 Base-Backbone interact. energy: -2.272 local terms energy: -325.642036 where: bonds (distance) C4'-P energy: -66.462 bonds (distance) P-C4' energy: -62.018 flat angles C4'-P-C4' energy: -67.468 flat angles P-C4'-P energy: -45.495 tors. eta vs tors. theta energy: -84.199 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: 5, replica: 6 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -920.538203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.538203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.538203 (E_RNA) where: Base-Base interactions energy: -608.499 where: short stacking energy: -293.168 Base-Backbone interact. energy: -1.075 local terms energy: -310.964523 where: bonds (distance) C4'-P energy: -48.700 bonds (distance) P-C4' energy: -74.920 flat angles C4'-P-C4' energy: -66.461 flat angles P-C4'-P energy: -36.614 tors. eta vs tors. theta energy: -84.270 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: 6, replica: 5 ===================================== Write number: 439 Temperature: 1.150000 Total energy: -870.011363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -870.011363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -870.011363 (E_RNA) where: Base-Base interactions energy: -589.898 where: short stacking energy: -249.621 Base-Backbone interact. energy: -2.299 local terms energy: -277.814069 where: bonds (distance) C4'-P energy: -55.063 bonds (distance) P-C4' energy: -63.760 flat angles C4'-P-C4' energy: -58.583 flat angles P-C4'-P energy: -34.053 tors. eta vs tors. theta energy: -66.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -793.693919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.693919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.693919 (E_RNA) where: Base-Base interactions energy: -539.279 where: short stacking energy: -227.535 Base-Backbone interact. energy: -0.037 local terms energy: -254.377584 where: bonds (distance) C4'-P energy: -50.281 bonds (distance) P-C4' energy: -64.726 flat angles C4'-P-C4' energy: -46.839 flat angles P-C4'-P energy: -39.843 tors. eta vs tors. theta energy: -52.688 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: 4 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -645.509636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -645.509636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -645.509636 (E_RNA) where: Base-Base interactions energy: -404.660 where: short stacking energy: -182.137 Base-Backbone interact. energy: -1.917 local terms energy: -238.932237 where: bonds (distance) C4'-P energy: -59.754 bonds (distance) P-C4' energy: -56.005 flat angles C4'-P-C4' energy: -51.290 flat angles P-C4'-P energy: -37.873 tors. eta vs tors. theta energy: -34.009 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: 3 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -549.690283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -549.690283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -549.690283 (E_RNA) where: Base-Base interactions energy: -336.782 where: short stacking energy: -161.539 Base-Backbone interact. energy: 0.687 local terms energy: -213.595286 where: bonds (distance) C4'-P energy: -48.419 bonds (distance) P-C4' energy: -62.785 flat angles C4'-P-C4' energy: -51.874 flat angles P-C4'-P energy: -35.482 tors. eta vs tors. theta energy: -15.035 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: 7 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -430.164813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -430.164813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -430.164813 (E_RNA) where: Base-Base interactions energy: -217.223 where: short stacking energy: -123.274 Base-Backbone interact. energy: 0.247 local terms energy: -213.189541 where: bonds (distance) C4'-P energy: -56.897 bonds (distance) P-C4' energy: -56.715 flat angles C4'-P-C4' energy: -55.524 flat angles P-C4'-P energy: -36.944 tors. eta vs tors. theta energy: -7.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -1171.324290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.324290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.324290 (E_RNA) where: Base-Base interactions energy: -829.087 where: short stacking energy: -326.326 Base-Backbone interact. energy: -1.442 local terms energy: -340.795548 where: bonds (distance) C4'-P energy: -61.067 bonds (distance) P-C4' energy: -74.088 flat angles C4'-P-C4' energy: -71.007 flat angles P-C4'-P energy: -41.941 tors. eta vs tors. theta energy: -92.692 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: 10 ===================================== Write number: 440 Temperature: 0.950000 Total energy: -1150.239320 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1150.239320 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1150.239320 (E_RNA) where: Base-Base interactions energy: -802.499 where: short stacking energy: -322.309 Base-Backbone interact. energy: -3.124 local terms energy: -344.615906 where: bonds (distance) C4'-P energy: -66.837 bonds (distance) P-C4' energy: -63.644 flat angles C4'-P-C4' energy: -75.331 flat angles P-C4'-P energy: -51.372 tors. eta vs tors. theta energy: -87.433 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: 3, replica: 9 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -1133.657438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.657438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.657438 (E_RNA) where: Base-Base interactions energy: -803.157 where: short stacking energy: -327.705 Base-Backbone interact. energy: -0.959 local terms energy: -329.541767 where: bonds (distance) C4'-P energy: -64.730 bonds (distance) P-C4' energy: -60.073 flat angles C4'-P-C4' energy: -62.962 flat angles P-C4'-P energy: -49.506 tors. eta vs tors. theta energy: -92.270 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: 1 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -971.603101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.603101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.603101 (E_RNA) where: Base-Base interactions energy: -646.180 where: short stacking energy: -285.039 Base-Backbone interact. energy: -1.275 local terms energy: -324.148487 where: bonds (distance) C4'-P energy: -63.833 bonds (distance) P-C4' energy: -74.997 flat angles C4'-P-C4' energy: -74.493 flat angles P-C4'-P energy: -40.186 tors. eta vs tors. theta energy: -70.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -907.483567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.483567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.483567 (E_RNA) where: Base-Base interactions energy: -599.883 where: short stacking energy: -280.326 Base-Backbone interact. energy: -0.751 local terms energy: -306.849711 where: bonds (distance) C4'-P energy: -53.585 bonds (distance) P-C4' energy: -59.153 flat angles C4'-P-C4' energy: -76.182 flat angles P-C4'-P energy: -40.390 tors. eta vs tors. theta energy: -77.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -854.248516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -854.248516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -854.248516 (E_RNA) where: Base-Base interactions energy: -565.970 where: short stacking energy: -251.362 Base-Backbone interact. energy: -0.328 local terms energy: -287.950801 where: bonds (distance) C4'-P energy: -56.124 bonds (distance) P-C4' energy: -63.499 flat angles C4'-P-C4' energy: -63.999 flat angles P-C4'-P energy: -39.696 tors. eta vs tors. theta energy: -64.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -766.707308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -766.707308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -766.707308 (E_RNA) where: Base-Base interactions energy: -494.796 where: short stacking energy: -204.407 Base-Backbone interact. energy: -0.941 local terms energy: -270.970587 where: bonds (distance) C4'-P energy: -53.512 bonds (distance) P-C4' energy: -64.356 flat angles C4'-P-C4' energy: -55.299 flat angles P-C4'-P energy: -45.277 tors. eta vs tors. theta energy: -52.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -653.686898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -653.686898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -653.686898 (E_RNA) where: Base-Base interactions energy: -418.912 where: short stacking energy: -208.202 Base-Backbone interact. energy: -1.385 local terms energy: -233.389648 where: bonds (distance) C4'-P energy: -63.899 bonds (distance) P-C4' energy: -54.027 flat angles C4'-P-C4' energy: -51.798 flat angles P-C4'-P energy: -28.445 tors. eta vs tors. theta energy: -35.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -546.493353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -546.493353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -546.493353 (E_RNA) where: Base-Base interactions energy: -320.348 where: short stacking energy: -158.958 Base-Backbone interact. energy: 0.995 local terms energy: -227.140927 where: bonds (distance) C4'-P energy: -59.522 bonds (distance) P-C4' energy: -50.603 flat angles C4'-P-C4' energy: -57.731 flat angles P-C4'-P energy: -34.036 tors. eta vs tors. theta energy: -25.249 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: 3 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -476.194485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -476.194485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -476.194485 (E_RNA) where: Base-Base interactions energy: -270.145 where: short stacking energy: -119.839 Base-Backbone interact. energy: 2.517 local terms energy: -208.567029 where: bonds (distance) C4'-P energy: -66.685 bonds (distance) P-C4' energy: -47.799 flat angles C4'-P-C4' energy: -41.397 flat angles P-C4'-P energy: -36.876 tors. eta vs tors. theta energy: -15.810 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: 1, replica: 8 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -1188.494858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1188.494858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1188.494858 (E_RNA) where: Base-Base interactions energy: -839.987 where: short stacking energy: -338.158 Base-Backbone interact. energy: -1.958 local terms energy: -346.550470 where: bonds (distance) C4'-P energy: -67.296 bonds (distance) P-C4' energy: -70.558 flat angles C4'-P-C4' energy: -67.079 flat angles P-C4'-P energy: -40.787 tors. eta vs tors. theta energy: -100.830 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -1134.767662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.767662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.767662 (E_RNA) where: Base-Base interactions energy: -768.199 where: short stacking energy: -307.584 Base-Backbone interact. energy: -1.528 local terms energy: -365.039838 where: bonds (distance) C4'-P energy: -69.851 bonds (distance) P-C4' energy: -78.245 flat angles C4'-P-C4' energy: -78.798 flat angles P-C4'-P energy: -52.944 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: 3, replica: 10 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -1130.498450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.498450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.498450 (E_RNA) where: Base-Base interactions energy: -801.566 where: short stacking energy: -313.076 Base-Backbone interact. energy: -3.595 local terms energy: -325.337799 where: bonds (distance) C4'-P energy: -50.861 bonds (distance) P-C4' energy: -57.306 flat angles C4'-P-C4' energy: -70.608 flat angles P-C4'-P energy: -53.737 tors. eta vs tors. theta energy: -92.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -972.137361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.137361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.137361 (E_RNA) where: Base-Base interactions energy: -656.696 where: short stacking energy: -294.375 Base-Backbone interact. energy: -0.344 local terms energy: -315.097031 where: bonds (distance) C4'-P energy: -51.581 bonds (distance) P-C4' energy: -70.300 flat angles C4'-P-C4' energy: -66.773 flat angles P-C4'-P energy: -51.255 tors. eta vs tors. theta energy: -75.187 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: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -914.669220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -914.669220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -914.669220 (E_RNA) where: Base-Base interactions energy: -598.581 where: short stacking energy: -275.296 Base-Backbone interact. energy: 0.009 local terms energy: -316.096888 where: bonds (distance) C4'-P energy: -52.944 bonds (distance) P-C4' energy: -68.603 flat angles C4'-P-C4' energy: -66.125 flat angles P-C4'-P energy: -50.768 tors. eta vs tors. theta energy: -77.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -873.826949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -873.826949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -873.826949 (E_RNA) where: Base-Base interactions energy: -599.231 where: short stacking energy: -244.086 Base-Backbone interact. energy: -1.134 local terms energy: -273.462866 where: bonds (distance) C4'-P energy: -59.243 bonds (distance) P-C4' energy: -52.152 flat angles C4'-P-C4' energy: -56.918 flat angles P-C4'-P energy: -43.562 tors. eta vs tors. theta energy: -61.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -781.256700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.256700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.256700 (E_RNA) where: Base-Base interactions energy: -523.087 where: short stacking energy: -237.394 Base-Backbone interact. energy: 1.900 local terms energy: -260.069336 where: bonds (distance) C4'-P energy: -54.099 bonds (distance) P-C4' energy: -59.893 flat angles C4'-P-C4' energy: -65.368 flat angles P-C4'-P energy: -19.863 tors. eta vs tors. theta energy: -60.846 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: 8, replica: 4 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -591.084230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -591.084230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -591.084230 (E_RNA) where: Base-Base interactions energy: -362.514 where: short stacking energy: -178.822 Base-Backbone interact. energy: 0.011 local terms energy: -228.580801 where: bonds (distance) C4'-P energy: -56.632 bonds (distance) P-C4' energy: -69.409 flat angles C4'-P-C4' energy: -47.476 flat angles P-C4'-P energy: -20.592 tors. eta vs tors. theta energy: -34.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -552.037978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -552.037978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -552.037978 (E_RNA) where: Base-Base interactions energy: -337.057 where: short stacking energy: -146.338 Base-Backbone interact. energy: -0.430 local terms energy: -214.550531 where: bonds (distance) C4'-P energy: -50.400 bonds (distance) P-C4' energy: -54.091 flat angles C4'-P-C4' energy: -60.352 flat angles P-C4'-P energy: -32.710 tors. eta vs tors. theta energy: -16.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -474.885750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -474.885750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -474.885750 (E_RNA) where: Base-Base interactions energy: -285.514 where: short stacking energy: -133.146 Base-Backbone interact. energy: 2.150 local terms energy: -191.521985 where: bonds (distance) C4'-P energy: -45.702 bonds (distance) P-C4' energy: -55.411 flat angles C4'-P-C4' energy: -52.598 flat angles P-C4'-P energy: -22.031 tors. eta vs tors. theta energy: -15.780 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: 8 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -1195.776436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.776436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.776436 (E_RNA) where: Base-Base interactions energy: -840.762 where: short stacking energy: -350.890 Base-Backbone interact. energy: -2.629 local terms energy: -352.385464 where: bonds (distance) C4'-P energy: -59.644 bonds (distance) P-C4' energy: -72.530 flat angles C4'-P-C4' energy: -69.852 flat angles P-C4'-P energy: -47.722 tors. eta vs tors. theta energy: -102.637 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: 9 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -1136.903598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.903598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.903598 (E_RNA) where: Base-Base interactions energy: -806.639 where: short stacking energy: -323.332 Base-Backbone interact. energy: -1.364 local terms energy: -328.901269 where: bonds (distance) C4'-P energy: -53.775 bonds (distance) P-C4' energy: -63.212 flat angles C4'-P-C4' energy: -65.691 flat angles P-C4'-P energy: -50.577 tors. eta vs tors. theta energy: -95.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -1126.812846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.812846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.812846 (E_RNA) where: Base-Base interactions energy: -798.527 where: short stacking energy: -324.205 Base-Backbone interact. energy: -0.132 local terms energy: -328.153757 where: bonds (distance) C4'-P energy: -56.315 bonds (distance) P-C4' energy: -60.832 flat angles C4'-P-C4' energy: -67.212 flat angles P-C4'-P energy: -48.441 tors. eta vs tors. theta energy: -95.353 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: 1 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -944.876268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -944.876268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -944.876268 (E_RNA) where: Base-Base interactions energy: -630.374 where: short stacking energy: -270.722 Base-Backbone interact. energy: -0.257 local terms energy: -314.244988 where: bonds (distance) C4'-P energy: -62.516 bonds (distance) P-C4' energy: -71.372 flat angles C4'-P-C4' energy: -67.988 flat angles P-C4'-P energy: -45.182 tors. eta vs tors. theta energy: -67.187 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: 6 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -925.236184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -925.236184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -925.236184 (E_RNA) where: Base-Base interactions energy: -613.377 where: short stacking energy: -268.322 Base-Backbone interact. energy: -0.551 local terms energy: -311.308315 where: bonds (distance) C4'-P energy: -59.877 bonds (distance) P-C4' energy: -63.220 flat angles C4'-P-C4' energy: -64.653 flat angles P-C4'-P energy: -41.717 tors. eta vs tors. theta energy: -81.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -875.073521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -875.073521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -875.073521 (E_RNA) where: Base-Base interactions energy: -557.175 where: short stacking energy: -261.632 Base-Backbone interact. energy: -0.660 local terms energy: -317.239150 where: bonds (distance) C4'-P energy: -55.923 bonds (distance) P-C4' energy: -78.153 flat angles C4'-P-C4' energy: -71.711 flat angles P-C4'-P energy: -42.108 tors. eta vs tors. theta energy: -69.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -772.465454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -772.465454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -772.465454 (E_RNA) where: Base-Base interactions energy: -529.723 where: short stacking energy: -219.714 Base-Backbone interact. energy: -1.319 local terms energy: -241.424166 where: bonds (distance) C4'-P energy: -61.571 bonds (distance) P-C4' energy: -53.361 flat angles C4'-P-C4' energy: -44.802 flat angles P-C4'-P energy: -36.615 tors. eta vs tors. theta energy: -45.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -703.298678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -703.298678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -703.298678 (E_RNA) where: Base-Base interactions energy: -443.998 where: short stacking energy: -207.036 Base-Backbone interact. energy: -1.720 local terms energy: -257.580514 where: bonds (distance) C4'-P energy: -61.754 bonds (distance) P-C4' energy: -62.910 flat angles C4'-P-C4' energy: -60.436 flat angles P-C4'-P energy: -32.357 tors. eta vs tors. theta energy: -40.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -577.593189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -577.593189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -577.593189 (E_RNA) where: Base-Base interactions energy: -361.615 where: short stacking energy: -186.669 Base-Backbone interact. energy: 2.442 local terms energy: -218.420343 where: bonds (distance) C4'-P energy: -51.900 bonds (distance) P-C4' energy: -47.760 flat angles C4'-P-C4' energy: -58.523 flat angles P-C4'-P energy: -29.770 tors. eta vs tors. theta energy: -30.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -481.774114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -481.774114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -481.774114 (E_RNA) where: Base-Base interactions energy: -256.110 where: short stacking energy: -128.946 Base-Backbone interact. energy: 2.125 local terms energy: -227.789570 where: bonds (distance) C4'-P energy: -60.456 bonds (distance) P-C4' energy: -59.793 flat angles C4'-P-C4' energy: -60.190 flat angles P-C4'-P energy: -23.614 tors. eta vs tors. theta energy: -23.736 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: 8 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -1204.840610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.840610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.840610 (E_RNA) where: Base-Base interactions energy: -838.288 where: short stacking energy: -343.235 Base-Backbone interact. energy: -2.756 local terms energy: -363.797191 where: bonds (distance) C4'-P energy: -62.791 bonds (distance) P-C4' energy: -71.851 flat angles C4'-P-C4' energy: -67.414 flat angles P-C4'-P energy: -53.349 tors. eta vs tors. theta energy: -108.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -1147.371945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.371945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.371945 (E_RNA) where: Base-Base interactions energy: -808.957 where: short stacking energy: -329.378 Base-Backbone interact. energy: -0.838 local terms energy: -337.577167 where: bonds (distance) C4'-P energy: -65.099 bonds (distance) P-C4' energy: -53.943 flat angles C4'-P-C4' energy: -73.157 flat angles P-C4'-P energy: -53.112 tors. eta vs tors. theta energy: -92.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -1117.715234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1117.715234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1117.715234 (E_RNA) where: Base-Base interactions energy: -785.956 where: short stacking energy: -303.347 Base-Backbone interact. energy: 0.298 local terms energy: -332.057477 where: bonds (distance) C4'-P energy: -61.544 bonds (distance) P-C4' energy: -63.099 flat angles C4'-P-C4' energy: -68.818 flat angles P-C4'-P energy: -46.507 tors. eta vs tors. theta energy: -92.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -987.240340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -987.240340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -987.240340 (E_RNA) where: Base-Base interactions energy: -661.754 where: short stacking energy: -289.359 Base-Backbone interact. energy: -2.569 local terms energy: -322.917656 where: bonds (distance) C4'-P energy: -60.391 bonds (distance) P-C4' energy: -67.836 flat angles C4'-P-C4' energy: -73.709 flat angles P-C4'-P energy: -40.627 tors. eta vs tors. theta energy: -80.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -907.877571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -907.877571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -907.877571 (E_RNA) where: Base-Base interactions energy: -585.578 where: short stacking energy: -283.962 Base-Backbone interact. energy: -1.331 local terms energy: -320.968136 where: bonds (distance) C4'-P energy: -57.451 bonds (distance) P-C4' energy: -68.012 flat angles C4'-P-C4' energy: -67.979 flat angles P-C4'-P energy: -47.651 tors. eta vs tors. theta energy: -79.875 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: 5 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -848.403415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -848.403415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -848.403415 (E_RNA) where: Base-Base interactions energy: -568.513 where: short stacking energy: -257.925 Base-Backbone interact. energy: -2.132 local terms energy: -277.758395 where: bonds (distance) C4'-P energy: -59.558 bonds (distance) P-C4' energy: -43.025 flat angles C4'-P-C4' energy: -59.900 flat angles P-C4'-P energy: -37.069 tors. eta vs tors. theta energy: -78.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -814.031819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -814.031819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -814.031819 (E_RNA) where: Base-Base interactions energy: -526.017 where: short stacking energy: -232.247 Base-Backbone interact. energy: -1.003 local terms energy: -287.011908 where: bonds (distance) C4'-P energy: -62.941 bonds (distance) P-C4' energy: -65.125 flat angles C4'-P-C4' energy: -70.538 flat angles P-C4'-P energy: -39.646 tors. eta vs tors. theta energy: -48.763 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: 443 Temperature: 1.250000 Total energy: -676.038593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -676.038593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -676.038593 (E_RNA) where: Base-Base interactions energy: -441.538 where: short stacking energy: -193.004 Base-Backbone interact. energy: -0.183 local terms energy: -234.316859 where: bonds (distance) C4'-P energy: -57.268 bonds (distance) P-C4' energy: -46.795 flat angles C4'-P-C4' energy: -59.028 flat angles P-C4'-P energy: -24.576 tors. eta vs tors. theta energy: -46.650 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: 7 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -505.151035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.151035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.151035 (E_RNA) where: Base-Base interactions energy: -295.327 where: short stacking energy: -139.906 Base-Backbone interact. energy: -0.504 local terms energy: -209.320199 where: bonds (distance) C4'-P energy: -61.755 bonds (distance) P-C4' energy: -55.500 flat angles C4'-P-C4' energy: -60.093 flat angles P-C4'-P energy: -17.058 tors. eta vs tors. theta energy: -14.915 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: 3 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -484.871036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -484.871036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -484.871036 (E_RNA) where: Base-Base interactions energy: -279.111 where: short stacking energy: -134.727 Base-Backbone interact. energy: 1.072 local terms energy: -206.832634 where: bonds (distance) C4'-P energy: -54.548 bonds (distance) P-C4' energy: -54.782 flat angles C4'-P-C4' energy: -58.477 flat angles P-C4'-P energy: -20.138 tors. eta vs tors. theta energy: -18.888 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: 8 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -1199.324518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1199.324518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1199.324518 (E_RNA) where: Base-Base interactions energy: -830.350 where: short stacking energy: -342.310 Base-Backbone interact. energy: -1.136 local terms energy: -367.838517 where: bonds (distance) C4'-P energy: -66.513 bonds (distance) P-C4' energy: -70.250 flat angles C4'-P-C4' energy: -81.100 flat angles P-C4'-P energy: -48.469 tors. eta vs tors. theta energy: -101.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -1121.599743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1121.599743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1121.599743 (E_RNA) where: Base-Base interactions energy: -778.483 where: short stacking energy: -298.530 Base-Backbone interact. energy: -0.067 local terms energy: -343.049575 where: bonds (distance) C4'-P energy: -65.489 bonds (distance) P-C4' energy: -68.174 flat angles C4'-P-C4' energy: -73.457 flat angles P-C4'-P energy: -49.147 tors. eta vs tors. theta energy: -86.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -1126.515015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1126.515015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1126.515015 (E_RNA) where: Base-Base interactions energy: -802.657 where: short stacking energy: -315.194 Base-Backbone interact. energy: -1.249 local terms energy: -322.609290 where: bonds (distance) C4'-P energy: -65.993 bonds (distance) P-C4' energy: -57.129 flat angles C4'-P-C4' energy: -57.473 flat angles P-C4'-P energy: -44.315 tors. eta vs tors. theta energy: -97.700 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: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -965.334185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -965.334185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -965.334185 (E_RNA) where: Base-Base interactions energy: -636.374 where: short stacking energy: -295.046 Base-Backbone interact. energy: 0.064 local terms energy: -329.024884 where: bonds (distance) C4'-P energy: -58.012 bonds (distance) P-C4' energy: -69.572 flat angles C4'-P-C4' energy: -68.077 flat angles P-C4'-P energy: -49.658 tors. eta vs tors. theta energy: -83.706 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: 6 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -905.901950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.901950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.901950 (E_RNA) where: Base-Base interactions energy: -608.679 where: short stacking energy: -267.039 Base-Backbone interact. energy: -2.714 local terms energy: -294.509150 where: bonds (distance) C4'-P energy: -50.482 bonds (distance) P-C4' energy: -64.760 flat angles C4'-P-C4' energy: -65.893 flat angles P-C4'-P energy: -35.485 tors. eta vs tors. theta energy: -77.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -829.529910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.529910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.529910 (E_RNA) where: Base-Base interactions energy: -545.389 where: short stacking energy: -218.396 Base-Backbone interact. energy: -0.950 local terms energy: -283.190204 where: bonds (distance) C4'-P energy: -54.062 bonds (distance) P-C4' energy: -65.268 flat angles C4'-P-C4' energy: -64.706 flat angles P-C4'-P energy: -43.982 tors. eta vs tors. theta energy: -55.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -816.147523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -816.147523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -816.147523 (E_RNA) where: Base-Base interactions energy: -558.127 where: short stacking energy: -240.825 Base-Backbone interact. energy: -0.414 local terms energy: -257.606491 where: bonds (distance) C4'-P energy: -55.983 bonds (distance) P-C4' energy: -49.003 flat angles C4'-P-C4' energy: -60.353 flat angles P-C4'-P energy: -39.790 tors. eta vs tors. theta energy: -52.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -648.983756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -648.983756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -648.983756 (E_RNA) where: Base-Base interactions energy: -395.621 where: short stacking energy: -174.756 Base-Backbone interact. energy: -1.801 local terms energy: -251.561685 where: bonds (distance) C4'-P energy: -57.585 bonds (distance) P-C4' energy: -67.717 flat angles C4'-P-C4' energy: -60.960 flat angles P-C4'-P energy: -35.154 tors. eta vs tors. theta energy: -30.145 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: 3 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -521.540227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -521.540227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -521.540227 (E_RNA) where: Base-Base interactions energy: -309.742 where: short stacking energy: -153.224 Base-Backbone interact. energy: 1.210 local terms energy: -213.008545 where: bonds (distance) C4'-P energy: -56.670 bonds (distance) P-C4' energy: -56.975 flat angles C4'-P-C4' energy: -44.252 flat angles P-C4'-P energy: -34.577 tors. eta vs tors. theta energy: -20.534 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: 7 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -428.727723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -428.727723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -428.727723 (E_RNA) where: Base-Base interactions energy: -225.497 where: short stacking energy: -109.592 Base-Backbone interact. energy: -0.841 local terms energy: -202.389834 where: bonds (distance) C4'-P energy: -55.561 bonds (distance) P-C4' energy: -53.753 flat angles C4'-P-C4' energy: -41.405 flat angles P-C4'-P energy: -41.156 tors. eta vs tors. theta energy: -10.514 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: 8 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -1201.319750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1201.319750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1201.319750 (E_RNA) where: Base-Base interactions energy: -840.179 where: short stacking energy: -339.583 Base-Backbone interact. energy: -2.063 local terms energy: -359.078015 where: bonds (distance) C4'-P energy: -65.069 bonds (distance) P-C4' energy: -55.017 flat angles C4'-P-C4' energy: -75.844 flat angles P-C4'-P energy: -56.920 tors. eta vs tors. theta energy: -106.229 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: 9 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -1140.841345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.841345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.841345 (E_RNA) where: Base-Base interactions energy: -793.678 where: short stacking energy: -324.208 Base-Backbone interact. energy: -2.783 local terms energy: -344.379777 where: bonds (distance) C4'-P energy: -67.886 bonds (distance) P-C4' energy: -64.754 flat angles C4'-P-C4' energy: -77.313 flat angles P-C4'-P energy: -41.685 tors. eta vs tors. theta energy: -92.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -1108.184536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1108.184536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1108.184536 (E_RNA) where: Base-Base interactions energy: -789.941 where: short stacking energy: -289.294 Base-Backbone interact. energy: -3.149 local terms energy: -315.094342 where: bonds (distance) C4'-P energy: -61.040 bonds (distance) P-C4' energy: -64.278 flat angles C4'-P-C4' energy: -69.318 flat angles P-C4'-P energy: -34.460 tors. eta vs tors. theta energy: -85.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -1009.352015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1009.352015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1009.352015 (E_RNA) where: Base-Base interactions energy: -694.694 where: short stacking energy: -310.891 Base-Backbone interact. energy: -3.082 local terms energy: -311.576162 where: bonds (distance) C4'-P energy: -51.806 bonds (distance) P-C4' energy: -62.057 flat angles C4'-P-C4' energy: -69.714 flat angles P-C4'-P energy: -42.525 tors. eta vs tors. theta energy: -85.475 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: 6 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -904.281009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.281009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.281009 (E_RNA) where: Base-Base interactions energy: -602.238 where: short stacking energy: -273.654 Base-Backbone interact. energy: -1.300 local terms energy: -300.743342 where: bonds (distance) C4'-P energy: -61.451 bonds (distance) P-C4' energy: -55.369 flat angles C4'-P-C4' energy: -67.985 flat angles P-C4'-P energy: -28.128 tors. eta vs tors. theta energy: -87.810 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: 2 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -886.969062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.969062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.969062 (E_RNA) where: Base-Base interactions energy: -599.306 where: short stacking energy: -266.641 Base-Backbone interact. energy: -1.061 local terms energy: -286.602242 where: bonds (distance) C4'-P energy: -62.746 bonds (distance) P-C4' energy: -50.288 flat angles C4'-P-C4' energy: -64.647 flat angles P-C4'-P energy: -42.998 tors. eta vs tors. theta energy: -65.924 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: 5 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -776.616932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -776.616932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -776.616932 (E_RNA) where: Base-Base interactions energy: -526.622 where: short stacking energy: -229.649 Base-Backbone interact. energy: 4.557 local terms energy: -254.552055 where: bonds (distance) C4'-P energy: -51.797 bonds (distance) P-C4' energy: -49.841 flat angles C4'-P-C4' energy: -64.177 flat angles P-C4'-P energy: -38.161 tors. eta vs tors. theta energy: -50.575 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: 4 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -701.269992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -701.269992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -701.269992 (E_RNA) where: Base-Base interactions energy: -449.576 where: short stacking energy: -194.846 Base-Backbone interact. energy: 0.629 local terms energy: -252.323735 where: bonds (distance) C4'-P energy: -51.658 bonds (distance) P-C4' energy: -55.894 flat angles C4'-P-C4' energy: -54.906 flat angles P-C4'-P energy: -46.072 tors. eta vs tors. theta energy: -43.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -508.315003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -508.315003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -508.315003 (E_RNA) where: Base-Base interactions energy: -296.416 where: short stacking energy: -157.013 Base-Backbone interact. energy: -1.648 local terms energy: -210.251312 where: bonds (distance) C4'-P energy: -49.183 bonds (distance) P-C4' energy: -57.347 flat angles C4'-P-C4' energy: -55.520 flat angles P-C4'-P energy: -25.890 tors. eta vs tors. theta energy: -22.312 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: 10, replica: 7 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -423.652952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -423.652952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -423.652952 (E_RNA) where: Base-Base interactions energy: -207.154 where: short stacking energy: -111.326 Base-Backbone interact. energy: 0.975 local terms energy: -217.473974 where: bonds (distance) C4'-P energy: -57.653 bonds (distance) P-C4' energy: -61.871 flat angles C4'-P-C4' energy: -46.039 flat angles P-C4'-P energy: -35.149 tors. eta vs tors. theta energy: -16.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -1195.855191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.855191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.855191 (E_RNA) where: Base-Base interactions energy: -826.368 where: short stacking energy: -334.682 Base-Backbone interact. energy: -1.748 local terms energy: -367.739187 where: bonds (distance) C4'-P energy: -60.147 bonds (distance) P-C4' energy: -77.935 flat angles C4'-P-C4' energy: -74.570 flat angles P-C4'-P energy: -45.022 tors. eta vs tors. theta energy: -110.066 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: 9 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -1139.229190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1139.229190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1139.229190 (E_RNA) where: Base-Base interactions energy: -782.557 where: short stacking energy: -316.857 Base-Backbone interact. energy: -4.738 local terms energy: -351.934456 where: bonds (distance) C4'-P energy: -69.944 bonds (distance) P-C4' energy: -69.555 flat angles C4'-P-C4' energy: -71.839 flat angles P-C4'-P energy: -51.187 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: 3, replica: 10 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -1099.860004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.860004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.860004 (E_RNA) where: Base-Base interactions energy: -783.808 where: short stacking energy: -309.960 Base-Backbone interact. energy: -2.322 local terms energy: -313.730583 where: bonds (distance) C4'-P energy: -55.825 bonds (distance) P-C4' energy: -51.517 flat angles C4'-P-C4' energy: -78.041 flat angles P-C4'-P energy: -42.345 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: 4, replica: 1 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -1005.954303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.954303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.954303 (E_RNA) where: Base-Base interactions energy: -668.207 where: short stacking energy: -288.897 Base-Backbone interact. energy: -2.562 local terms energy: -335.185216 where: bonds (distance) C4'-P energy: -60.090 bonds (distance) P-C4' energy: -63.973 flat angles C4'-P-C4' energy: -71.283 flat angles P-C4'-P energy: -44.949 tors. eta vs tors. theta energy: -94.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -929.229813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.229813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.229813 (E_RNA) where: Base-Base interactions energy: -601.239 where: short stacking energy: -277.726 Base-Backbone interact. energy: -0.745 local terms energy: -327.245499 where: bonds (distance) C4'-P energy: -61.496 bonds (distance) P-C4' energy: -65.185 flat angles C4'-P-C4' energy: -71.770 flat angles P-C4'-P energy: -50.264 tors. eta vs tors. theta energy: -78.530 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: 2 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -865.844884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -865.844884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -865.844884 (E_RNA) where: Base-Base interactions energy: -578.100 where: short stacking energy: -264.746 Base-Backbone interact. energy: 0.340 local terms energy: -288.084980 where: bonds (distance) C4'-P energy: -54.772 bonds (distance) P-C4' energy: -65.446 flat angles C4'-P-C4' energy: -63.683 flat angles P-C4'-P energy: -39.917 tors. eta vs tors. theta energy: -64.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -745.351573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -745.351573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -745.351573 (E_RNA) where: Base-Base interactions energy: -478.665 where: short stacking energy: -249.142 Base-Backbone interact. energy: -1.215 local terms energy: -265.471111 where: bonds (distance) C4'-P energy: -60.920 bonds (distance) P-C4' energy: -52.833 flat angles C4'-P-C4' energy: -56.135 flat angles P-C4'-P energy: -36.267 tors. eta vs tors. theta energy: -59.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -728.137451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -728.137451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -728.137451 (E_RNA) where: Base-Base interactions energy: -480.312 where: short stacking energy: -210.546 Base-Backbone interact. energy: 1.796 local terms energy: -249.621202 where: bonds (distance) C4'-P energy: -56.344 bonds (distance) P-C4' energy: -41.551 flat angles C4'-P-C4' energy: -59.844 flat angles P-C4'-P energy: -44.266 tors. eta vs tors. theta energy: -47.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -456.177915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.177915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.177915 (E_RNA) where: Base-Base interactions energy: -262.312 where: short stacking energy: -132.305 Base-Backbone interact. energy: -1.583 local terms energy: -192.282974 where: bonds (distance) C4'-P energy: -58.663 bonds (distance) P-C4' energy: -47.868 flat angles C4'-P-C4' energy: -57.323 flat angles P-C4'-P energy: -22.892 tors. eta vs tors. theta energy: -5.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -442.668598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -442.668598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -442.668598 (E_RNA) where: Base-Base interactions energy: -228.855 where: short stacking energy: -122.377 Base-Backbone interact. energy: 0.940 local terms energy: -214.753725 where: bonds (distance) C4'-P energy: -57.093 bonds (distance) P-C4' energy: -61.654 flat angles C4'-P-C4' energy: -49.999 flat angles P-C4'-P energy: -28.070 tors. eta vs tors. theta energy: -17.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 447 Temperature: 0.900000 Total energy: -1208.852195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.852195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.852195 (E_RNA) where: Base-Base interactions energy: -842.960 where: short stacking energy: -353.568 Base-Backbone interact. energy: -2.820 local terms energy: -363.072106 where: bonds (distance) C4'-P energy: -63.340 bonds (distance) P-C4' energy: -60.828 flat angles C4'-P-C4' energy: -76.940 flat angles P-C4'-P energy: -55.880 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: 2, replica: 9 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -1140.471103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1140.471103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1140.471103 (E_RNA) where: Base-Base interactions energy: -806.698 where: short stacking energy: -346.677 Base-Backbone interact. energy: 2.003 local terms energy: -335.775352 where: bonds (distance) C4'-P energy: -57.363 bonds (distance) P-C4' energy: -64.889 flat angles C4'-P-C4' energy: -72.366 flat angles P-C4'-P energy: -40.641 tors. eta vs tors. theta energy: -100.516 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: 3, replica: 10 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -1128.704722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1128.704722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1128.704722 (E_RNA) where: Base-Base interactions energy: -794.605 where: short stacking energy: -316.697 Base-Backbone interact. energy: -0.081 local terms energy: -334.018655 where: bonds (distance) C4'-P energy: -53.536 bonds (distance) P-C4' energy: -69.157 flat angles C4'-P-C4' energy: -66.674 flat angles P-C4'-P energy: -52.316 tors. eta vs tors. theta energy: -92.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -1001.178630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1001.178630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1001.178630 (E_RNA) where: Base-Base interactions energy: -674.605 where: short stacking energy: -299.949 Base-Backbone interact. energy: -3.115 local terms energy: -323.458752 where: bonds (distance) C4'-P energy: -56.427 bonds (distance) P-C4' energy: -54.705 flat angles C4'-P-C4' energy: -76.343 flat angles P-C4'-P energy: -51.209 tors. eta vs tors. theta energy: -84.775 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: 6 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -929.059207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -929.059207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -929.059207 (E_RNA) where: Base-Base interactions energy: -593.855 where: short stacking energy: -297.779 Base-Backbone interact. energy: -0.738 local terms energy: -334.466748 where: bonds (distance) C4'-P energy: -59.239 bonds (distance) P-C4' energy: -63.755 flat angles C4'-P-C4' energy: -71.747 flat angles P-C4'-P energy: -50.358 tors. eta vs tors. theta energy: -89.369 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: 2 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -888.760419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -888.760419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -888.760419 (E_RNA) where: Base-Base interactions energy: -614.591 where: short stacking energy: -260.170 Base-Backbone interact. energy: 1.328 local terms energy: -275.497713 where: bonds (distance) C4'-P energy: -55.459 bonds (distance) P-C4' energy: -61.370 flat angles C4'-P-C4' energy: -63.286 flat angles P-C4'-P energy: -29.945 tors. eta vs tors. theta energy: -65.439 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: 4 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -760.151328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.151328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.151328 (E_RNA) where: Base-Base interactions energy: -472.915 where: short stacking energy: -215.848 Base-Backbone interact. energy: -2.295 local terms energy: -284.941405 where: bonds (distance) C4'-P energy: -60.185 bonds (distance) P-C4' energy: -60.982 flat angles C4'-P-C4' energy: -72.081 flat angles P-C4'-P energy: -43.725 tors. eta vs tors. theta energy: -47.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -738.562101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -738.562101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -738.562101 (E_RNA) where: Base-Base interactions energy: -469.524 where: short stacking energy: -220.119 Base-Backbone interact. energy: -1.506 local terms energy: -267.532164 where: bonds (distance) C4'-P energy: -49.997 bonds (distance) P-C4' energy: -63.147 flat angles C4'-P-C4' energy: -57.574 flat angles P-C4'-P energy: -50.757 tors. eta vs tors. theta energy: -46.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -528.216531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -528.216531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -528.216531 (E_RNA) where: Base-Base interactions energy: -297.842 where: short stacking energy: -149.087 Base-Backbone interact. energy: 4.640 local terms energy: -235.015006 where: bonds (distance) C4'-P energy: -51.433 bonds (distance) P-C4' energy: -58.700 flat angles C4'-P-C4' energy: -62.877 flat angles P-C4'-P energy: -41.538 tors. eta vs tors. theta energy: -20.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -393.132408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -393.132408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -393.132408 (E_RNA) where: Base-Base interactions energy: -196.458 where: short stacking energy: -106.626 Base-Backbone interact. energy: -1.189 local terms energy: -195.485051 where: bonds (distance) C4'-P energy: -48.015 bonds (distance) P-C4' energy: -48.469 flat angles C4'-P-C4' energy: -57.846 flat angles P-C4'-P energy: -30.046 tors. eta vs tors. theta energy: -11.109 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: 9 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -1174.487043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1174.487043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1174.487043 (E_RNA) where: Base-Base interactions energy: -816.461 where: short stacking energy: -351.779 Base-Backbone interact. energy: -0.895 local terms energy: -357.130500 where: bonds (distance) C4'-P energy: -66.194 bonds (distance) P-C4' energy: -66.574 flat angles C4'-P-C4' energy: -75.436 flat angles P-C4'-P energy: -47.357 tors. eta vs tors. theta energy: -101.569 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: 8 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -1171.095091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1171.095091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1171.095091 (E_RNA) where: Base-Base interactions energy: -818.482 where: short stacking energy: -345.943 Base-Backbone interact. energy: -0.714 local terms energy: -351.898747 where: bonds (distance) C4'-P energy: -62.189 bonds (distance) P-C4' energy: -68.056 flat angles C4'-P-C4' energy: -74.366 flat angles P-C4'-P energy: -41.709 tors. eta vs tors. theta energy: -105.579 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: 10 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -1137.109215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.109215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.109215 (E_RNA) where: Base-Base interactions energy: -814.599 where: short stacking energy: -326.514 Base-Backbone interact. energy: 2.633 local terms energy: -325.142872 where: bonds (distance) C4'-P energy: -60.575 bonds (distance) P-C4' energy: -56.614 flat angles C4'-P-C4' energy: -66.239 flat angles P-C4'-P energy: -46.177 tors. eta vs tors. theta energy: -95.539 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: 1 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -1014.985162 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.985162 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.985162 (E_RNA) where: Base-Base interactions energy: -688.483 where: short stacking energy: -299.524 Base-Backbone interact. energy: -1.186 local terms energy: -325.316213 where: bonds (distance) C4'-P energy: -55.339 bonds (distance) P-C4' energy: -63.616 flat angles C4'-P-C4' energy: -59.435 flat angles P-C4'-P energy: -56.172 tors. eta vs tors. theta energy: -90.753 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: 6 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -924.997750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -924.997750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -924.997750 (E_RNA) where: Base-Base interactions energy: -600.383 where: short stacking energy: -284.530 Base-Backbone interact. energy: -1.593 local terms energy: -323.022489 where: bonds (distance) C4'-P energy: -58.939 bonds (distance) P-C4' energy: -69.198 flat angles C4'-P-C4' energy: -66.388 flat angles P-C4'-P energy: -43.021 tors. eta vs tors. theta energy: -85.477 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: 2 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -885.196515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -885.196515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -885.196515 (E_RNA) where: Base-Base interactions energy: -602.758 where: short stacking energy: -246.745 Base-Backbone interact. energy: -1.693 local terms energy: -280.745216 where: bonds (distance) C4'-P energy: -62.691 bonds (distance) P-C4' energy: -57.328 flat angles C4'-P-C4' energy: -58.133 flat angles P-C4'-P energy: -48.561 tors. eta vs tors. theta energy: -54.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -760.099073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.099073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.099073 (E_RNA) where: Base-Base interactions energy: -488.148 where: short stacking energy: -240.229 Base-Backbone interact. energy: 1.676 local terms energy: -273.627695 where: bonds (distance) C4'-P energy: -52.856 bonds (distance) P-C4' energy: -56.888 flat angles C4'-P-C4' energy: -61.433 flat angles P-C4'-P energy: -36.842 tors. eta vs tors. theta energy: -65.608 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: 5 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -749.702876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -749.702876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -749.702876 (E_RNA) where: Base-Base interactions energy: -489.559 where: short stacking energy: -231.943 Base-Backbone interact. energy: -0.533 local terms energy: -259.610827 where: bonds (distance) C4'-P energy: -58.412 bonds (distance) P-C4' energy: -48.708 flat angles C4'-P-C4' energy: -57.622 flat angles P-C4'-P energy: -41.430 tors. eta vs tors. theta energy: -53.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 448 Temperature: 1.300000 Total energy: -570.847518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.847518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.847518 (E_RNA) where: Base-Base interactions energy: -343.212 where: short stacking energy: -157.292 Base-Backbone interact. energy: 3.907 local terms energy: -231.542843 where: bonds (distance) C4'-P energy: -61.752 bonds (distance) P-C4' energy: -42.354 flat angles C4'-P-C4' energy: -56.466 flat angles P-C4'-P energy: -34.273 tors. eta vs tors. theta energy: -36.697 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: 7 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -401.742249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -401.742249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -401.742249 (E_RNA) where: Base-Base interactions energy: -212.324 where: short stacking energy: -101.191 Base-Backbone interact. energy: 1.802 local terms energy: -191.220039 where: bonds (distance) C4'-P energy: -46.094 bonds (distance) P-C4' energy: -54.376 flat angles C4'-P-C4' energy: -60.622 flat angles P-C4'-P energy: -24.647 tors. eta vs tors. theta energy: -5.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -1155.667210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.667210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.667210 (E_RNA) where: Base-Base interactions energy: -811.166 where: short stacking energy: -343.310 Base-Backbone interact. energy: -0.822 local terms energy: -343.679081 where: bonds (distance) C4'-P energy: -64.743 bonds (distance) P-C4' energy: -51.828 flat angles C4'-P-C4' energy: -82.377 flat angles P-C4'-P energy: -46.474 tors. eta vs tors. theta energy: -98.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -1172.125538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.125538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.125538 (E_RNA) where: Base-Base interactions energy: -811.511 where: short stacking energy: -327.216 Base-Backbone interact. energy: -5.668 local terms energy: -354.946785 where: bonds (distance) C4'-P energy: -60.098 bonds (distance) P-C4' energy: -64.493 flat angles C4'-P-C4' energy: -73.887 flat angles P-C4'-P energy: -56.099 tors. eta vs tors. theta energy: -100.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -1120.611874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1120.611874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1120.611874 (E_RNA) where: Base-Base interactions energy: -795.973 where: short stacking energy: -297.894 Base-Backbone interact. energy: -3.515 local terms energy: -321.123399 where: bonds (distance) C4'-P energy: -53.868 bonds (distance) P-C4' energy: -60.408 flat angles C4'-P-C4' energy: -67.005 flat angles P-C4'-P energy: -52.456 tors. eta vs tors. theta energy: -87.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -999.369668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -999.369668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -999.369668 (E_RNA) where: Base-Base interactions energy: -686.465 where: short stacking energy: -305.910 Base-Backbone interact. energy: -0.225 local terms energy: -312.680018 where: bonds (distance) C4'-P energy: -49.419 bonds (distance) P-C4' energy: -67.294 flat angles C4'-P-C4' energy: -69.380 flat angles P-C4'-P energy: -44.673 tors. eta vs tors. theta energy: -81.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -926.571751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.571751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.571751 (E_RNA) where: Base-Base interactions energy: -599.237 where: short stacking energy: -294.087 Base-Backbone interact. energy: -0.110 local terms energy: -327.224697 where: bonds (distance) C4'-P energy: -58.593 bonds (distance) P-C4' energy: -57.400 flat angles C4'-P-C4' energy: -69.650 flat angles P-C4'-P energy: -54.819 tors. eta vs tors. theta energy: -86.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -897.333140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -897.333140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -897.333140 (E_RNA) where: Base-Base interactions energy: -594.813 where: short stacking energy: -245.230 Base-Backbone interact. energy: 0.847 local terms energy: -303.367480 where: bonds (distance) C4'-P energy: -52.725 bonds (distance) P-C4' energy: -59.060 flat angles C4'-P-C4' energy: -72.369 flat angles P-C4'-P energy: -48.190 tors. eta vs tors. theta energy: -71.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -746.128351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -746.128351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -746.128351 (E_RNA) where: Base-Base interactions energy: -481.421 where: short stacking energy: -212.598 Base-Backbone interact. energy: 2.578 local terms energy: -267.285559 where: bonds (distance) C4'-P energy: -50.015 bonds (distance) P-C4' energy: -56.555 flat angles C4'-P-C4' energy: -67.814 flat angles P-C4'-P energy: -40.506 tors. eta vs tors. theta energy: -52.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -752.414173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -752.414173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -752.414173 (E_RNA) where: Base-Base interactions energy: -502.970 where: short stacking energy: -218.296 Base-Backbone interact. energy: 2.347 local terms energy: -251.790373 where: bonds (distance) C4'-P energy: -54.091 bonds (distance) P-C4' energy: -53.256 flat angles C4'-P-C4' energy: -59.361 flat angles P-C4'-P energy: -42.792 tors. eta vs tors. theta energy: -42.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -595.442016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -595.442016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -595.442016 (E_RNA) where: Base-Base interactions energy: -375.502 where: short stacking energy: -160.021 Base-Backbone interact. energy: -1.286 local terms energy: -218.653744 where: bonds (distance) C4'-P energy: -53.722 bonds (distance) P-C4' energy: -51.426 flat angles C4'-P-C4' energy: -62.101 flat angles P-C4'-P energy: -26.941 tors. eta vs tors. theta energy: -24.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -406.750181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.750181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.750181 (E_RNA) where: Base-Base interactions energy: -220.297 where: short stacking energy: -117.852 Base-Backbone interact. energy: 1.348 local terms energy: -187.801437 where: bonds (distance) C4'-P energy: -44.059 bonds (distance) P-C4' energy: -55.089 flat angles C4'-P-C4' energy: -42.763 flat angles P-C4'-P energy: -39.083 tors. eta vs tors. theta energy: -6.807 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: 8 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -1228.186488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1228.186488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1228.186488 (E_RNA) where: Base-Base interactions energy: -840.534 where: short stacking energy: -350.397 Base-Backbone interact. energy: -2.485 local terms energy: -385.167883 where: bonds (distance) C4'-P energy: -70.161 bonds (distance) P-C4' energy: -74.536 flat angles C4'-P-C4' energy: -71.936 flat angles P-C4'-P energy: -55.496 tors. eta vs tors. theta energy: -113.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -1145.880967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1145.880967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1145.880967 (E_RNA) where: Base-Base interactions energy: -810.446 where: short stacking energy: -324.096 Base-Backbone interact. energy: -0.684 local terms energy: -334.751115 where: bonds (distance) C4'-P energy: -55.924 bonds (distance) P-C4' energy: -61.717 flat angles C4'-P-C4' energy: -70.370 flat angles P-C4'-P energy: -51.913 tors. eta vs tors. theta energy: -94.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -1118.855391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.855391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.855391 (E_RNA) where: Base-Base interactions energy: -797.294 where: short stacking energy: -302.184 Base-Backbone interact. energy: 0.931 local terms energy: -322.492865 where: bonds (distance) C4'-P energy: -62.656 bonds (distance) P-C4' energy: -65.758 flat angles C4'-P-C4' energy: -69.538 flat angles P-C4'-P energy: -39.330 tors. eta vs tors. theta energy: -85.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -986.834011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -986.834011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -986.834011 (E_RNA) where: Base-Base interactions energy: -653.887 where: short stacking energy: -298.753 Base-Backbone interact. energy: -1.792 local terms energy: -331.155139 where: bonds (distance) C4'-P energy: -57.647 bonds (distance) P-C4' energy: -61.660 flat angles C4'-P-C4' energy: -69.448 flat angles P-C4'-P energy: -51.356 tors. eta vs tors. theta energy: -91.045 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: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -906.699553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -906.699553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -906.699553 (E_RNA) where: Base-Base interactions energy: -594.563 where: short stacking energy: -269.538 Base-Backbone interact. energy: -0.246 local terms energy: -311.890648 where: bonds (distance) C4'-P energy: -46.975 bonds (distance) P-C4' energy: -64.068 flat angles C4'-P-C4' energy: -76.087 flat angles P-C4'-P energy: -38.799 tors. eta vs tors. theta energy: -85.962 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: 2 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -900.083960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -900.083960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -900.083960 (E_RNA) where: Base-Base interactions energy: -605.989 where: short stacking energy: -260.257 Base-Backbone interact. energy: -0.923 local terms energy: -293.171719 where: bonds (distance) C4'-P energy: -53.319 bonds (distance) P-C4' energy: -56.247 flat angles C4'-P-C4' energy: -68.468 flat angles P-C4'-P energy: -40.223 tors. eta vs tors. theta energy: -74.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -760.128767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -760.128767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -760.128767 (E_RNA) where: Base-Base interactions energy: -500.184 where: short stacking energy: -215.593 Base-Backbone interact. energy: -1.226 local terms energy: -258.717874 where: bonds (distance) C4'-P energy: -57.740 bonds (distance) P-C4' energy: -48.848 flat angles C4'-P-C4' energy: -66.627 flat angles P-C4'-P energy: -37.127 tors. eta vs tors. theta energy: -48.376 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: 4 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -722.351826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -722.351826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -722.351826 (E_RNA) where: Base-Base interactions energy: -469.933 where: short stacking energy: -193.724 Base-Backbone interact. energy: 0.504 local terms energy: -252.922600 where: bonds (distance) C4'-P energy: -51.987 bonds (distance) P-C4' energy: -59.750 flat angles C4'-P-C4' energy: -64.607 flat angles P-C4'-P energy: -43.445 tors. eta vs tors. theta energy: -33.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -585.698927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -585.698927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -585.698927 (E_RNA) where: Base-Base interactions energy: -347.976 where: short stacking energy: -163.978 Base-Backbone interact. energy: -2.446 local terms energy: -235.277244 where: bonds (distance) C4'-P energy: -54.491 bonds (distance) P-C4' energy: -63.631 flat angles C4'-P-C4' energy: -55.361 flat angles P-C4'-P energy: -37.022 tors. eta vs tors. theta energy: -24.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -406.657981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -406.657981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -406.657981 (E_RNA) where: Base-Base interactions energy: -229.584 where: short stacking energy: -103.712 Base-Backbone interact. energy: 7.346 local terms energy: -184.420176 where: bonds (distance) C4'-P energy: -57.128 bonds (distance) P-C4' energy: -49.801 flat angles C4'-P-C4' energy: -32.113 flat angles P-C4'-P energy: -36.586 tors. eta vs tors. theta energy: -8.792 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -1203.075288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.075288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.075288 (E_RNA) where: Base-Base interactions energy: -827.884 where: short stacking energy: -340.276 Base-Backbone interact. energy: -2.087 local terms energy: -373.104912 where: bonds (distance) C4'-P energy: -67.210 bonds (distance) P-C4' energy: -64.511 flat angles C4'-P-C4' energy: -84.098 flat angles P-C4'-P energy: -49.379 tors. eta vs tors. theta energy: -107.906 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: 10 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -1155.363686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.363686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.363686 (E_RNA) where: Base-Base interactions energy: -820.947 where: short stacking energy: -299.312 Base-Backbone interact. energy: -3.489 local terms energy: -330.927882 where: bonds (distance) C4'-P energy: -72.711 bonds (distance) P-C4' energy: -52.604 flat angles C4'-P-C4' energy: -71.117 flat angles P-C4'-P energy: -42.365 tors. eta vs tors. theta energy: -92.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -1137.523125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1137.523125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1137.523125 (E_RNA) where: Base-Base interactions energy: -797.891 where: short stacking energy: -329.690 Base-Backbone interact. energy: -1.700 local terms energy: -337.932624 where: bonds (distance) C4'-P energy: -58.169 bonds (distance) P-C4' energy: -57.421 flat angles C4'-P-C4' energy: -71.451 flat angles P-C4'-P energy: -52.985 tors. eta vs tors. theta energy: -97.906 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: 1 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -996.804691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -996.804691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -996.804691 (E_RNA) where: Base-Base interactions energy: -667.525 where: short stacking energy: -307.532 Base-Backbone interact. energy: -0.796 local terms energy: -328.484430 where: bonds (distance) C4'-P energy: -61.120 bonds (distance) P-C4' energy: -69.453 flat angles C4'-P-C4' energy: -63.789 flat angles P-C4'-P energy: -41.864 tors. eta vs tors. theta energy: -92.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -918.785811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -918.785811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -918.785811 (E_RNA) where: Base-Base interactions energy: -611.782 where: short stacking energy: -290.023 Base-Backbone interact. energy: -0.864 local terms energy: -306.139104 where: bonds (distance) C4'-P energy: -49.618 bonds (distance) P-C4' energy: -54.833 flat angles C4'-P-C4' energy: -68.368 flat angles P-C4'-P energy: -55.553 tors. eta vs tors. theta energy: -77.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -942.219258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -942.219258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -942.219258 (E_RNA) where: Base-Base interactions energy: -637.155 where: short stacking energy: -292.164 Base-Backbone interact. energy: -1.849 local terms energy: -303.215442 where: bonds (distance) C4'-P energy: -59.019 bonds (distance) P-C4' energy: -48.137 flat angles C4'-P-C4' energy: -61.846 flat angles P-C4'-P energy: -45.209 tors. eta vs tors. theta energy: -89.004 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: 7, replica: 5 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -777.383336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -777.383336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -777.383336 (E_RNA) where: Base-Base interactions energy: -492.830 where: short stacking energy: -227.761 Base-Backbone interact. energy: -1.811 local terms energy: -282.742646 where: bonds (distance) C4'-P energy: -54.038 bonds (distance) P-C4' energy: -61.974 flat angles C4'-P-C4' energy: -62.897 flat angles P-C4'-P energy: -44.481 tors. eta vs tors. theta energy: -59.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -603.977172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -603.977172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -603.977172 (E_RNA) where: Base-Base interactions energy: -374.034 where: short stacking energy: -177.296 Base-Backbone interact. energy: -2.231 local terms energy: -227.712718 where: bonds (distance) C4'-P energy: -43.433 bonds (distance) P-C4' energy: -65.646 flat angles C4'-P-C4' energy: -57.141 flat angles P-C4'-P energy: -44.633 tors. eta vs tors. theta energy: -16.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -694.833112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.833112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.833112 (E_RNA) where: Base-Base interactions energy: -440.331 where: short stacking energy: -193.947 Base-Backbone interact. energy: -0.052 local terms energy: -254.450421 where: bonds (distance) C4'-P energy: -56.156 bonds (distance) P-C4' energy: -59.227 flat angles C4'-P-C4' energy: -63.585 flat angles P-C4'-P energy: -27.986 tors. eta vs tors. theta energy: -47.497 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: 7 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -433.628591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.628591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.628591 (E_RNA) where: Base-Base interactions energy: -243.269 where: short stacking energy: -130.423 Base-Backbone interact. energy: 0.429 local terms energy: -190.788599 where: bonds (distance) C4'-P energy: -51.555 bonds (distance) P-C4' energy: -55.599 flat angles C4'-P-C4' energy: -49.964 flat angles P-C4'-P energy: -26.050 tors. eta vs tors. theta energy: -7.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -1198.577990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1198.577990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1198.577990 (E_RNA) where: Base-Base interactions energy: -818.942 where: short stacking energy: -344.733 Base-Backbone interact. energy: -3.106 local terms energy: -376.529467 where: bonds (distance) C4'-P energy: -67.956 bonds (distance) P-C4' energy: -76.545 flat angles C4'-P-C4' energy: -75.342 flat angles P-C4'-P energy: -51.560 tors. eta vs tors. theta energy: -105.126 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: 2, replica: 10 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -1160.861342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1160.861342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1160.861342 (E_RNA) where: Base-Base interactions energy: -808.028 where: short stacking energy: -323.025 Base-Backbone interact. energy: -5.083 local terms energy: -347.750480 where: bonds (distance) C4'-P energy: -69.640 bonds (distance) P-C4' energy: -68.226 flat angles C4'-P-C4' energy: -74.522 flat angles P-C4'-P energy: -48.556 tors. eta vs tors. theta energy: -86.807 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: 3, replica: 9 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -1138.229495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1138.229495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1138.229495 (E_RNA) where: Base-Base interactions energy: -785.107 where: short stacking energy: -315.222 Base-Backbone interact. energy: 0.636 local terms energy: -353.758201 where: bonds (distance) C4'-P energy: -57.535 bonds (distance) P-C4' energy: -73.984 flat angles C4'-P-C4' energy: -73.292 flat angles P-C4'-P energy: -54.474 tors. eta vs tors. theta energy: -94.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -971.497080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.497080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.497080 (E_RNA) where: Base-Base interactions energy: -646.365 where: short stacking energy: -298.621 Base-Backbone interact. energy: -1.480 local terms energy: -323.652633 where: bonds (distance) C4'-P energy: -60.025 bonds (distance) P-C4' energy: -66.925 flat angles C4'-P-C4' energy: -67.991 flat angles P-C4'-P energy: -44.626 tors. eta vs tors. theta energy: -84.085 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: 2 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -984.526802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -984.526802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -984.526802 (E_RNA) where: Base-Base interactions energy: -675.678 where: short stacking energy: -280.366 Base-Backbone interact. energy: -2.303 local terms energy: -306.545632 where: bonds (distance) C4'-P energy: -62.249 bonds (distance) P-C4' energy: -62.022 flat angles C4'-P-C4' energy: -61.727 flat angles P-C4'-P energy: -41.255 tors. eta vs tors. theta energy: -79.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -867.199730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.199730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.199730 (E_RNA) where: Base-Base interactions energy: -566.438 where: short stacking energy: -280.712 Base-Backbone interact. energy: -0.908 local terms energy: -299.853715 where: bonds (distance) C4'-P energy: -66.443 bonds (distance) P-C4' energy: -64.848 flat angles C4'-P-C4' energy: -61.752 flat angles P-C4'-P energy: -32.543 tors. eta vs tors. theta energy: -74.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -739.308456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -739.308456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -739.308456 (E_RNA) where: Base-Base interactions energy: -494.367 where: short stacking energy: -219.851 Base-Backbone interact. energy: 5.896 local terms energy: -250.837493 where: bonds (distance) C4'-P energy: -56.119 bonds (distance) P-C4' energy: -49.789 flat angles C4'-P-C4' energy: -66.419 flat angles P-C4'-P energy: -29.530 tors. eta vs tors. theta energy: -48.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 452 Temperature: 1.250000 Total energy: -631.814078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -631.814078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -631.814078 (E_RNA) where: Base-Base interactions energy: -396.656 where: short stacking energy: -176.286 Base-Backbone interact. energy: -1.566 local terms energy: -233.592711 where: bonds (distance) C4'-P energy: -57.366 bonds (distance) P-C4' energy: -53.601 flat angles C4'-P-C4' energy: -56.497 flat angles P-C4'-P energy: -29.615 tors. eta vs tors. theta energy: -36.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -688.396255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -688.396255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -688.396255 (E_RNA) where: Base-Base interactions energy: -448.888 where: short stacking energy: -189.496 Base-Backbone interact. energy: 0.282 local terms energy: -239.790069 where: bonds (distance) C4'-P energy: -44.208 bonds (distance) P-C4' energy: -55.891 flat angles C4'-P-C4' energy: -49.539 flat angles P-C4'-P energy: -48.085 tors. eta vs tors. theta energy: -42.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -429.986711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.986711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.986711 (E_RNA) where: Base-Base interactions energy: -245.782 where: short stacking energy: -130.556 Base-Backbone interact. energy: 0.150 local terms energy: -184.353919 where: bonds (distance) C4'-P energy: -57.021 bonds (distance) P-C4' energy: -50.974 flat angles C4'-P-C4' energy: -50.813 flat angles P-C4'-P energy: -20.619 tors. eta vs tors. theta energy: -4.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -1197.388821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1197.388821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1197.388821 (E_RNA) where: Base-Base interactions energy: -825.325 where: short stacking energy: -344.708 Base-Backbone interact. energy: -3.459 local terms energy: -368.605019 where: bonds (distance) C4'-P energy: -70.176 bonds (distance) P-C4' energy: -67.045 flat angles C4'-P-C4' energy: -73.529 flat angles P-C4'-P energy: -52.448 tors. eta vs tors. theta energy: -105.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -1155.001580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1155.001580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1155.001580 (E_RNA) where: Base-Base interactions energy: -793.691 where: short stacking energy: -326.849 Base-Backbone interact. energy: -0.855 local terms energy: -360.454925 where: bonds (distance) C4'-P energy: -63.620 bonds (distance) P-C4' energy: -69.003 flat angles C4'-P-C4' energy: -77.764 flat angles P-C4'-P energy: -56.357 tors. eta vs tors. theta energy: -93.711 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: 10 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -1119.170018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.170018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.170018 (E_RNA) where: Base-Base interactions energy: -788.285 where: short stacking energy: -301.244 Base-Backbone interact. energy: -0.362 local terms energy: -330.523354 where: bonds (distance) C4'-P energy: -53.368 bonds (distance) P-C4' energy: -68.975 flat angles C4'-P-C4' energy: -70.000 flat angles P-C4'-P energy: -45.195 tors. eta vs tors. theta energy: -92.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -968.975144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.975144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.975144 (E_RNA) where: Base-Base interactions energy: -664.177 where: short stacking energy: -288.993 Base-Backbone interact. energy: 0.143 local terms energy: -304.941647 where: bonds (distance) C4'-P energy: -49.351 bonds (distance) P-C4' energy: -61.229 flat angles C4'-P-C4' energy: -68.210 flat angles P-C4'-P energy: -47.117 tors. eta vs tors. theta energy: -79.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -926.310152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -926.310152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -926.310152 (E_RNA) where: Base-Base interactions energy: -654.503 where: short stacking energy: -270.835 Base-Backbone interact. energy: 1.979 local terms energy: -273.786053 where: bonds (distance) C4'-P energy: -50.020 bonds (distance) P-C4' energy: -60.514 flat angles C4'-P-C4' energy: -65.064 flat angles P-C4'-P energy: -27.721 tors. eta vs tors. theta energy: -70.466 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -890.416824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -890.416824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -890.416824 (E_RNA) where: Base-Base interactions energy: -583.552 where: short stacking energy: -278.607 Base-Backbone interact. energy: -0.631 local terms energy: -306.233898 where: bonds (distance) C4'-P energy: -58.419 bonds (distance) P-C4' energy: -63.747 flat angles C4'-P-C4' energy: -68.975 flat angles P-C4'-P energy: -38.128 tors. eta vs tors. theta energy: -76.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -791.689613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -791.689613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -791.689613 (E_RNA) where: Base-Base interactions energy: -511.164 where: short stacking energy: -234.307 Base-Backbone interact. energy: -2.064 local terms energy: -278.462454 where: bonds (distance) C4'-P energy: -60.056 bonds (distance) P-C4' energy: -69.218 flat angles C4'-P-C4' energy: -60.810 flat angles P-C4'-P energy: -40.554 tors. eta vs tors. theta energy: -47.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -687.678247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.678247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.678247 (E_RNA) where: Base-Base interactions energy: -446.378 where: short stacking energy: -201.575 Base-Backbone interact. energy: 2.422 local terms energy: -243.722349 where: bonds (distance) C4'-P energy: -46.058 bonds (distance) P-C4' energy: -57.391 flat angles C4'-P-C4' energy: -49.569 flat angles P-C4'-P energy: -42.862 tors. eta vs tors. theta energy: -47.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -605.043699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -605.043699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -605.043699 (E_RNA) where: Base-Base interactions energy: -387.836 where: short stacking energy: -185.647 Base-Backbone interact. energy: 3.042 local terms energy: -220.250247 where: bonds (distance) C4'-P energy: -52.038 bonds (distance) P-C4' energy: -50.625 flat angles C4'-P-C4' energy: -58.020 flat angles P-C4'-P energy: -29.689 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: 10, replica: 7 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -411.623651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -411.623651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -411.623651 (E_RNA) where: Base-Base interactions energy: -220.615 where: short stacking energy: -116.451 Base-Backbone interact. energy: 0.246 local terms energy: -191.254154 where: bonds (distance) C4'-P energy: -50.475 bonds (distance) P-C4' energy: -42.591 flat angles C4'-P-C4' energy: -54.457 flat angles P-C4'-P energy: -34.157 tors. eta vs tors. theta energy: -9.575 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: 8 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -1182.046883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1182.046883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1182.046883 (E_RNA) where: Base-Base interactions energy: -833.307 where: short stacking energy: -345.635 Base-Backbone interact. energy: -2.762 local terms energy: -345.977710 where: bonds (distance) C4'-P energy: -62.738 bonds (distance) P-C4' energy: -61.200 flat angles C4'-P-C4' energy: -72.778 flat angles P-C4'-P energy: -49.856 tors. eta vs tors. theta energy: -99.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -1149.384454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.384454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.384454 (E_RNA) where: Base-Base interactions energy: -796.447 where: short stacking energy: -325.785 Base-Backbone interact. energy: -3.865 local terms energy: -349.072497 where: bonds (distance) C4'-P energy: -57.753 bonds (distance) P-C4' energy: -66.042 flat angles C4'-P-C4' energy: -76.659 flat angles P-C4'-P energy: -52.123 tors. eta vs tors. theta energy: -96.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -1125.921857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.921857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.921857 (E_RNA) where: Base-Base interactions energy: -806.180 where: short stacking energy: -312.983 Base-Backbone interact. energy: -1.709 local terms energy: -318.032384 where: bonds (distance) C4'-P energy: -69.562 bonds (distance) P-C4' energy: -59.016 flat angles C4'-P-C4' energy: -64.757 flat angles P-C4'-P energy: -44.754 tors. eta vs tors. theta energy: -79.944 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: 1 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -989.417086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -989.417086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -989.417086 (E_RNA) where: Base-Base interactions energy: -672.946 where: short stacking energy: -297.179 Base-Backbone interact. energy: -0.290 local terms energy: -316.181141 where: bonds (distance) C4'-P energy: -58.727 bonds (distance) P-C4' energy: -62.759 flat angles C4'-P-C4' energy: -69.426 flat angles P-C4'-P energy: -40.145 tors. eta vs tors. theta energy: -85.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -937.892106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -937.892106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -937.892106 (E_RNA) where: Base-Base interactions energy: -649.427 where: short stacking energy: -258.235 Base-Backbone interact. energy: -1.169 local terms energy: -287.296338 where: bonds (distance) C4'-P energy: -64.108 bonds (distance) P-C4' energy: -64.695 flat angles C4'-P-C4' energy: -55.700 flat angles P-C4'-P energy: -36.253 tors. eta vs tors. theta energy: -66.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -857.538125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -857.538125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -857.538125 (E_RNA) where: Base-Base interactions energy: -555.049 where: short stacking energy: -251.313 Base-Backbone interact. energy: 0.400 local terms energy: -302.889555 where: bonds (distance) C4'-P energy: -60.529 bonds (distance) P-C4' energy: -64.452 flat angles C4'-P-C4' energy: -70.281 flat angles P-C4'-P energy: -41.147 tors. eta vs tors. theta energy: -66.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -755.145741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.145741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.145741 (E_RNA) where: Base-Base interactions energy: -492.072 where: short stacking energy: -213.231 Base-Backbone interact. energy: 2.111 local terms energy: -265.185218 where: bonds (distance) C4'-P energy: -69.631 bonds (distance) P-C4' energy: -59.055 flat angles C4'-P-C4' energy: -62.268 flat angles P-C4'-P energy: -32.705 tors. eta vs tors. theta energy: -41.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -730.266052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -730.266052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -730.266052 (E_RNA) where: Base-Base interactions energy: -474.524 where: short stacking energy: -204.304 Base-Backbone interact. energy: 3.230 local terms energy: -258.972060 where: bonds (distance) C4'-P energy: -51.072 bonds (distance) P-C4' energy: -73.055 flat angles C4'-P-C4' energy: -56.047 flat angles P-C4'-P energy: -31.663 tors. eta vs tors. theta energy: -47.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -575.088152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -575.088152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -575.088152 (E_RNA) where: Base-Base interactions energy: -357.175 where: short stacking energy: -155.940 Base-Backbone interact. energy: -3.086 local terms energy: -214.827106 where: bonds (distance) C4'-P energy: -56.802 bonds (distance) P-C4' energy: -51.791 flat angles C4'-P-C4' energy: -54.152 flat angles P-C4'-P energy: -29.066 tors. eta vs tors. theta energy: -23.016 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -433.044919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.044919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.044919 (E_RNA) where: Base-Base interactions energy: -233.132 where: short stacking energy: -134.866 Base-Backbone interact. energy: 1.567 local terms energy: -201.479710 where: bonds (distance) C4'-P energy: -49.435 bonds (distance) P-C4' energy: -49.920 flat angles C4'-P-C4' energy: -51.565 flat angles P-C4'-P energy: -30.060 tors. eta vs tors. theta energy: -20.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -1204.117929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1204.117929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1204.117929 (E_RNA) where: Base-Base interactions energy: -841.361 where: short stacking energy: -326.995 Base-Backbone interact. energy: 1.137 local terms energy: -363.894142 where: bonds (distance) C4'-P energy: -64.164 bonds (distance) P-C4' energy: -63.474 flat angles C4'-P-C4' energy: -80.215 flat angles P-C4'-P energy: -49.665 tors. eta vs tors. theta energy: -106.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -1143.904176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1143.904176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1143.904176 (E_RNA) where: Base-Base interactions energy: -819.381 where: short stacking energy: -317.880 Base-Backbone interact. energy: -2.183 local terms energy: -322.339984 where: bonds (distance) C4'-P energy: -62.359 bonds (distance) P-C4' energy: -66.325 flat angles C4'-P-C4' energy: -65.408 flat angles P-C4'-P energy: -37.592 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: 3, replica: 9 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -1098.222338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1098.222338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1098.222338 (E_RNA) where: Base-Base interactions energy: -789.977 where: short stacking energy: -328.515 Base-Backbone interact. energy: -1.460 local terms energy: -306.785532 where: bonds (distance) C4'-P energy: -57.416 bonds (distance) P-C4' energy: -52.545 flat angles C4'-P-C4' energy: -72.948 flat angles P-C4'-P energy: -37.685 tors. eta vs tors. theta energy: -86.191 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: 1 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -982.342865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -982.342865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -982.342865 (E_RNA) where: Base-Base interactions energy: -655.463 where: short stacking energy: -297.005 Base-Backbone interact. energy: -2.778 local terms energy: -324.102166 where: bonds (distance) C4'-P energy: -59.396 bonds (distance) P-C4' energy: -66.674 flat angles C4'-P-C4' energy: -71.872 flat angles P-C4'-P energy: -45.274 tors. eta vs tors. theta energy: -80.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -962.205178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.205178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.205178 (E_RNA) where: Base-Base interactions energy: -640.081 where: short stacking energy: -299.241 Base-Backbone interact. energy: -1.448 local terms energy: -320.676078 where: bonds (distance) C4'-P energy: -62.973 bonds (distance) P-C4' energy: -61.494 flat angles C4'-P-C4' energy: -69.333 flat angles P-C4'-P energy: -43.291 tors. eta vs tors. theta energy: -83.586 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: 6 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -864.929700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.929700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.929700 (E_RNA) where: Base-Base interactions energy: -571.021 where: short stacking energy: -266.032 Base-Backbone interact. energy: -0.805 local terms energy: -293.103724 where: bonds (distance) C4'-P energy: -54.822 bonds (distance) P-C4' energy: -59.898 flat angles C4'-P-C4' energy: -58.041 flat angles P-C4'-P energy: -46.204 tors. eta vs tors. theta energy: -74.139 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: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -758.941165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -758.941165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -758.941165 (E_RNA) where: Base-Base interactions energy: -498.950 where: short stacking energy: -230.308 Base-Backbone interact. energy: -2.824 local terms energy: -257.166869 where: bonds (distance) C4'-P energy: -55.865 bonds (distance) P-C4' energy: -64.107 flat angles C4'-P-C4' energy: -62.132 flat angles P-C4'-P energy: -32.459 tors. eta vs tors. theta energy: -42.604 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: 455 Temperature: 1.250000 Total energy: -678.891549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -678.891549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -678.891549 (E_RNA) where: Base-Base interactions energy: -426.956 where: short stacking energy: -185.111 Base-Backbone interact. energy: 3.023 local terms energy: -254.958283 where: bonds (distance) C4'-P energy: -71.414 bonds (distance) P-C4' energy: -56.932 flat angles C4'-P-C4' energy: -49.629 flat angles P-C4'-P energy: -34.699 tors. eta vs tors. theta energy: -42.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -533.344735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -533.344735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -533.344735 (E_RNA) where: Base-Base interactions energy: -320.679 where: short stacking energy: -150.859 Base-Backbone interact. energy: 4.237 local terms energy: -216.902414 where: bonds (distance) C4'-P energy: -60.260 bonds (distance) P-C4' energy: -53.012 flat angles C4'-P-C4' energy: -60.507 flat angles P-C4'-P energy: -21.677 tors. eta vs tors. theta energy: -21.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -414.952363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.952363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.952363 (E_RNA) where: Base-Base interactions energy: -216.626 where: short stacking energy: -108.633 Base-Backbone interact. energy: 0.359 local terms energy: -198.685945 where: bonds (distance) C4'-P energy: -56.560 bonds (distance) P-C4' energy: -60.901 flat angles C4'-P-C4' energy: -50.074 flat angles P-C4'-P energy: -26.966 tors. eta vs tors. theta energy: -4.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -1205.538037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.538037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.538037 (E_RNA) where: Base-Base interactions energy: -836.704 where: short stacking energy: -343.811 Base-Backbone interact. energy: -2.329 local terms energy: -366.505638 where: bonds (distance) C4'-P energy: -69.298 bonds (distance) P-C4' energy: -69.217 flat angles C4'-P-C4' energy: -76.321 flat angles P-C4'-P energy: -42.224 tors. eta vs tors. theta energy: -109.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -1156.843653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1156.843653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1156.843653 (E_RNA) where: Base-Base interactions energy: -816.506 where: short stacking energy: -325.655 Base-Backbone interact. energy: -1.290 local terms energy: -339.047251 where: bonds (distance) C4'-P energy: -68.494 bonds (distance) P-C4' energy: -70.102 flat angles C4'-P-C4' energy: -70.209 flat angles P-C4'-P energy: -41.698 tors. eta vs tors. theta energy: -88.544 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: 3, replica: 9 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -1084.919415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1084.919415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1084.919415 (E_RNA) where: Base-Base interactions energy: -771.354 where: short stacking energy: -314.976 Base-Backbone interact. energy: -1.911 local terms energy: -311.653906 where: bonds (distance) C4'-P energy: -61.737 bonds (distance) P-C4' energy: -46.435 flat angles C4'-P-C4' energy: -70.831 flat angles P-C4'-P energy: -47.628 tors. eta vs tors. theta energy: -85.022 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: 1 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -998.514088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.514088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.514088 (E_RNA) where: Base-Base interactions energy: -673.655 where: short stacking energy: -299.001 Base-Backbone interact. energy: -1.974 local terms energy: -322.885231 where: bonds (distance) C4'-P energy: -55.290 bonds (distance) P-C4' energy: -69.816 flat angles C4'-P-C4' energy: -76.676 flat angles P-C4'-P energy: -40.052 tors. eta vs tors. theta energy: -81.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -962.804997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -962.804997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -962.804997 (E_RNA) where: Base-Base interactions energy: -649.593 where: short stacking energy: -278.366 Base-Backbone interact. energy: -1.642 local terms energy: -311.569569 where: bonds (distance) C4'-P energy: -64.370 bonds (distance) P-C4' energy: -59.086 flat angles C4'-P-C4' energy: -66.564 flat angles P-C4'-P energy: -48.491 tors. eta vs tors. theta energy: -73.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -921.239169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -921.239169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -921.239169 (E_RNA) where: Base-Base interactions energy: -623.215 where: short stacking energy: -287.654 Base-Backbone interact. energy: -0.385 local terms energy: -297.638376 where: bonds (distance) C4'-P energy: -55.684 bonds (distance) P-C4' energy: -54.507 flat angles C4'-P-C4' energy: -62.408 flat angles P-C4'-P energy: -41.161 tors. eta vs tors. theta energy: -83.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -684.462272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.462272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.462272 (E_RNA) where: Base-Base interactions energy: -418.673 where: short stacking energy: -193.542 Base-Backbone interact. energy: -0.736 local terms energy: -265.052761 where: bonds (distance) C4'-P energy: -58.597 bonds (distance) P-C4' energy: -56.591 flat angles C4'-P-C4' energy: -56.531 flat angles P-C4'-P energy: -49.688 tors. eta vs tors. theta energy: -43.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -698.214060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -698.214060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -698.214060 (E_RNA) where: Base-Base interactions energy: -459.057 where: short stacking energy: -188.445 Base-Backbone interact. energy: 1.944 local terms energy: -241.101469 where: bonds (distance) C4'-P energy: -39.897 bonds (distance) P-C4' energy: -56.890 flat angles C4'-P-C4' energy: -62.410 flat angles P-C4'-P energy: -35.964 tors. eta vs tors. theta energy: -45.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -572.876234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -572.876234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -572.876234 (E_RNA) where: Base-Base interactions energy: -335.637 where: short stacking energy: -148.446 Base-Backbone interact. energy: -0.332 local terms energy: -236.907177 where: bonds (distance) C4'-P energy: -52.792 bonds (distance) P-C4' energy: -55.592 flat angles C4'-P-C4' energy: -68.124 flat angles P-C4'-P energy: -45.913 tors. eta vs tors. theta energy: -14.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -396.038054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.038054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.038054 (E_RNA) where: Base-Base interactions energy: -204.799 where: short stacking energy: -97.923 Base-Backbone interact. energy: -1.126 local terms energy: -190.113088 where: bonds (distance) C4'-P energy: -43.479 bonds (distance) P-C4' energy: -67.630 flat angles C4'-P-C4' energy: -58.711 flat angles P-C4'-P energy: -31.045 tors. eta vs tors. theta energy: 10.751 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: 8 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -1230.601167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1230.601167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1230.601167 (E_RNA) where: Base-Base interactions energy: -858.753 where: short stacking energy: -336.364 Base-Backbone interact. energy: -1.579 local terms energy: -370.269147 where: bonds (distance) C4'-P energy: -69.279 bonds (distance) P-C4' energy: -68.447 flat angles C4'-P-C4' energy: -74.913 flat angles P-C4'-P energy: -54.936 tors. eta vs tors. theta energy: -102.695 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: 10 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -1172.137473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1172.137473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1172.137473 (E_RNA) where: Base-Base interactions energy: -826.660 where: short stacking energy: -332.651 Base-Backbone interact. energy: 1.197 local terms energy: -346.674595 where: bonds (distance) C4'-P energy: -69.871 bonds (distance) P-C4' energy: -70.792 flat angles C4'-P-C4' energy: -71.694 flat angles P-C4'-P energy: -43.669 tors. eta vs tors. theta energy: -90.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -1133.969256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.969256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.969256 (E_RNA) where: Base-Base interactions energy: -784.862 where: short stacking energy: -323.190 Base-Backbone interact. energy: -1.775 local terms energy: -347.332548 where: bonds (distance) C4'-P energy: -67.422 bonds (distance) P-C4' energy: -66.374 flat angles C4'-P-C4' energy: -70.862 flat angles P-C4'-P energy: -50.860 tors. eta vs tors. theta energy: -91.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -959.347738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.347738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.347738 (E_RNA) where: Base-Base interactions energy: -647.186 where: short stacking energy: -276.262 Base-Backbone interact. energy: 0.396 local terms energy: -312.557551 where: bonds (distance) C4'-P energy: -59.738 bonds (distance) P-C4' energy: -70.796 flat angles C4'-P-C4' energy: -55.665 flat angles P-C4'-P energy: -50.607 tors. eta vs tors. theta energy: -75.751 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: 2 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -975.806781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -975.806781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -975.806781 (E_RNA) where: Base-Base interactions energy: -650.481 where: short stacking energy: -301.960 Base-Backbone interact. energy: -1.776 local terms energy: -323.548963 where: bonds (distance) C4'-P energy: -53.972 bonds (distance) P-C4' energy: -62.400 flat angles C4'-P-C4' energy: -75.918 flat angles P-C4'-P energy: -48.417 tors. eta vs tors. theta energy: -82.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -902.356972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -902.356972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -902.356972 (E_RNA) where: Base-Base interactions energy: -596.660 where: short stacking energy: -290.867 Base-Backbone interact. energy: -1.157 local terms energy: -304.540039 where: bonds (distance) C4'-P energy: -44.460 bonds (distance) P-C4' energy: -65.022 flat angles C4'-P-C4' energy: -71.022 flat angles P-C4'-P energy: -42.472 tors. eta vs tors. theta energy: -81.565 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: 4 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -708.498002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -708.498002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -708.498002 (E_RNA) where: Base-Base interactions energy: -450.354 where: short stacking energy: -227.645 Base-Backbone interact. energy: -1.052 local terms energy: -257.091631 where: bonds (distance) C4'-P energy: -63.108 bonds (distance) P-C4' energy: -47.692 flat angles C4'-P-C4' energy: -61.798 flat angles P-C4'-P energy: -33.886 tors. eta vs tors. theta energy: -50.608 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: 5 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -697.046999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.046999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.046999 (E_RNA) where: Base-Base interactions energy: -436.841 where: short stacking energy: -200.830 Base-Backbone interact. energy: 1.235 local terms energy: -261.440901 where: bonds (distance) C4'-P energy: -58.972 bonds (distance) P-C4' energy: -54.791 flat angles C4'-P-C4' energy: -58.262 flat angles P-C4'-P energy: -42.136 tors. eta vs tors. theta energy: -47.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -578.636772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -578.636772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -578.636772 (E_RNA) where: Base-Base interactions energy: -364.976 where: short stacking energy: -158.001 Base-Backbone interact. energy: 0.526 local terms energy: -214.186991 where: bonds (distance) C4'-P energy: -44.238 bonds (distance) P-C4' energy: -58.302 flat angles C4'-P-C4' energy: -57.834 flat angles P-C4'-P energy: -30.075 tors. eta vs tors. theta energy: -23.738 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: 7 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -413.201978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.201978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.201978 (E_RNA) where: Base-Base interactions energy: -228.229 where: short stacking energy: -105.475 Base-Backbone interact. energy: 7.661 local terms energy: -192.633986 where: bonds (distance) C4'-P energy: -49.169 bonds (distance) P-C4' energy: -55.639 flat angles C4'-P-C4' energy: -55.506 flat angles P-C4'-P energy: -32.377 tors. eta vs tors. theta energy: 0.057 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: 8 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -1190.839401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1190.839401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1190.839401 (E_RNA) where: Base-Base interactions energy: -836.026 where: short stacking energy: -335.690 Base-Backbone interact. energy: -3.985 local terms energy: -350.827475 where: bonds (distance) C4'-P energy: -64.079 bonds (distance) P-C4' energy: -66.213 flat angles C4'-P-C4' energy: -74.077 flat angles P-C4'-P energy: -46.414 tors. eta vs tors. theta energy: -100.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -1130.159618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.159618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.159618 (E_RNA) where: Base-Base interactions energy: -801.584 where: short stacking energy: -300.193 Base-Backbone interact. energy: 0.665 local terms energy: -329.240508 where: bonds (distance) C4'-P energy: -59.528 bonds (distance) P-C4' energy: -72.241 flat angles C4'-P-C4' energy: -66.321 flat angles P-C4'-P energy: -46.516 tors. eta vs tors. theta energy: -84.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -1130.333690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1130.333690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1130.333690 (E_RNA) where: Base-Base interactions energy: -816.970 where: short stacking energy: -335.399 Base-Backbone interact. energy: 0.035 local terms energy: -313.398673 where: bonds (distance) C4'-P energy: -55.148 bonds (distance) P-C4' energy: -59.263 flat angles C4'-P-C4' energy: -62.570 flat angles P-C4'-P energy: -42.464 tors. eta vs tors. theta energy: -93.953 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: 4, replica: 1 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -967.156428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -967.156428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -967.156428 (E_RNA) where: Base-Base interactions energy: -650.352 where: short stacking energy: -277.296 Base-Backbone interact. energy: -0.742 local terms energy: -316.061646 where: bonds (distance) C4'-P energy: -56.019 bonds (distance) P-C4' energy: -65.011 flat angles C4'-P-C4' energy: -71.591 flat angles P-C4'-P energy: -48.151 tors. eta vs tors. theta energy: -75.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -973.377297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.377297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.377297 (E_RNA) where: Base-Base interactions energy: -642.229 where: short stacking energy: -286.226 Base-Backbone interact. energy: -2.987 local terms energy: -328.161279 where: bonds (distance) C4'-P energy: -62.244 bonds (distance) P-C4' energy: -62.141 flat angles C4'-P-C4' energy: -74.109 flat angles P-C4'-P energy: -46.552 tors. eta vs tors. theta energy: -83.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -904.543024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.543024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.543024 (E_RNA) where: Base-Base interactions energy: -590.820 where: short stacking energy: -283.850 Base-Backbone interact. energy: -2.347 local terms energy: -311.375864 where: bonds (distance) C4'-P energy: -56.091 bonds (distance) P-C4' energy: -60.954 flat angles C4'-P-C4' energy: -64.493 flat angles P-C4'-P energy: -37.833 tors. eta vs tors. theta energy: -92.004 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: 7, replica: 5 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -731.898380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.898380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.898380 (E_RNA) where: Base-Base interactions energy: -497.071 where: short stacking energy: -206.805 Base-Backbone interact. energy: -1.195 local terms energy: -233.631957 where: bonds (distance) C4'-P energy: -59.482 bonds (distance) P-C4' energy: -51.330 flat angles C4'-P-C4' energy: -53.820 flat angles P-C4'-P energy: -33.860 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: 8, replica: 4 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -670.381764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -670.381764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -670.381764 (E_RNA) where: Base-Base interactions energy: -419.616 where: short stacking energy: -183.272 Base-Backbone interact. energy: -1.060 local terms energy: -249.705416 where: bonds (distance) C4'-P energy: -52.247 bonds (distance) P-C4' energy: -56.941 flat angles C4'-P-C4' energy: -60.277 flat angles P-C4'-P energy: -42.922 tors. eta vs tors. theta energy: -37.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -570.208083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -570.208083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -570.208083 (E_RNA) where: Base-Base interactions energy: -346.583 where: short stacking energy: -155.742 Base-Backbone interact. energy: -0.533 local terms energy: -223.091974 where: bonds (distance) C4'-P energy: -55.337 bonds (distance) P-C4' energy: -55.081 flat angles C4'-P-C4' energy: -51.631 flat angles P-C4'-P energy: -38.775 tors. eta vs tors. theta energy: -22.268 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: 10, replica: 7 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -391.705059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -391.705059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -391.705059 (E_RNA) where: Base-Base interactions energy: -189.869 where: short stacking energy: -98.824 Base-Backbone interact. energy: -1.543 local terms energy: -200.292558 where: bonds (distance) C4'-P energy: -55.439 bonds (distance) P-C4' energy: -59.174 flat angles C4'-P-C4' energy: -42.964 flat angles P-C4'-P energy: -27.180 tors. eta vs tors. theta energy: -15.536 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: 8 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -1192.296537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.296537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.296537 (E_RNA) where: Base-Base interactions energy: -829.850 where: short stacking energy: -330.027 Base-Backbone interact. energy: -0.579 local terms energy: -361.868112 where: bonds (distance) C4'-P energy: -67.384 bonds (distance) P-C4' energy: -62.388 flat angles C4'-P-C4' energy: -75.803 flat angles P-C4'-P energy: -52.190 tors. eta vs tors. theta energy: -104.104 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: 9 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -1162.189692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1162.189692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1162.189692 (E_RNA) where: Base-Base interactions energy: -814.557 where: short stacking energy: -341.583 Base-Backbone interact. energy: -1.458 local terms energy: -346.174915 where: bonds (distance) C4'-P energy: -58.611 bonds (distance) P-C4' energy: -62.903 flat angles C4'-P-C4' energy: -71.189 flat angles P-C4'-P energy: -56.659 tors. eta vs tors. theta energy: -96.814 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: 10 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -1118.174298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1118.174298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1118.174298 (E_RNA) where: Base-Base interactions energy: -808.630 where: short stacking energy: -310.032 Base-Backbone interact. energy: -1.576 local terms energy: -307.967933 where: bonds (distance) C4'-P energy: -50.901 bonds (distance) P-C4' energy: -60.931 flat angles C4'-P-C4' energy: -67.764 flat angles P-C4'-P energy: -40.003 tors. eta vs tors. theta energy: -88.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -968.436063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -968.436063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -968.436063 (E_RNA) where: Base-Base interactions energy: -638.550 where: short stacking energy: -287.677 Base-Backbone interact. energy: -0.923 local terms energy: -328.962958 where: bonds (distance) C4'-P energy: -61.321 bonds (distance) P-C4' energy: -66.112 flat angles C4'-P-C4' energy: -69.005 flat angles P-C4'-P energy: -47.123 tors. eta vs tors. theta energy: -85.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -919.181708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -919.181708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -919.181708 (E_RNA) where: Base-Base interactions energy: -617.165 where: short stacking energy: -260.293 Base-Backbone interact. energy: -0.871 local terms energy: -301.145718 where: bonds (distance) C4'-P energy: -56.267 bonds (distance) P-C4' energy: -59.053 flat angles C4'-P-C4' energy: -61.320 flat angles P-C4'-P energy: -45.900 tors. eta vs tors. theta energy: -78.605 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: 6 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -904.950806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -904.950806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -904.950806 (E_RNA) where: Base-Base interactions energy: -601.715 where: short stacking energy: -282.780 Base-Backbone interact. energy: -0.427 local terms energy: -302.809058 where: bonds (distance) C4'-P energy: -37.971 bonds (distance) P-C4' energy: -53.557 flat angles C4'-P-C4' energy: -58.659 flat angles P-C4'-P energy: -52.142 tors. eta vs tors. theta energy: -100.479 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: 5 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -726.775540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -726.775540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -726.775540 (E_RNA) where: Base-Base interactions energy: -474.110 where: short stacking energy: -220.019 Base-Backbone interact. energy: -1.918 local terms energy: -250.747422 where: bonds (distance) C4'-P energy: -57.246 bonds (distance) P-C4' energy: -62.909 flat angles C4'-P-C4' energy: -56.169 flat angles P-C4'-P energy: -33.439 tors. eta vs tors. theta energy: -40.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -705.108492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -705.108492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -705.108492 (E_RNA) where: Base-Base interactions energy: -448.561 where: short stacking energy: -207.580 Base-Backbone interact. energy: 1.094 local terms energy: -257.640993 where: bonds (distance) C4'-P energy: -54.871 bonds (distance) P-C4' energy: -60.905 flat angles C4'-P-C4' energy: -53.965 flat angles P-C4'-P energy: -39.247 tors. eta vs tors. theta energy: -48.654 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -554.146137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -554.146137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -554.146137 (E_RNA) where: Base-Base interactions energy: -342.511 where: short stacking energy: -168.975 Base-Backbone interact. energy: -0.738 local terms energy: -210.896902 where: bonds (distance) C4'-P energy: -57.274 bonds (distance) P-C4' energy: -58.540 flat angles C4'-P-C4' energy: -53.439 flat angles P-C4'-P energy: -22.208 tors. eta vs tors. theta energy: -19.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -402.771045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -402.771045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -402.771045 (E_RNA) where: Base-Base interactions energy: -192.402 where: short stacking energy: -99.862 Base-Backbone interact. energy: -1.929 local terms energy: -208.439756 where: bonds (distance) C4'-P energy: -51.562 bonds (distance) P-C4' energy: -60.959 flat angles C4'-P-C4' energy: -55.243 flat angles P-C4'-P energy: -35.645 tors. eta vs tors. theta energy: -5.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -1215.064707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1215.064707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1215.064707 (E_RNA) where: Base-Base interactions energy: -850.016 where: short stacking energy: -343.565 Base-Backbone interact. energy: -3.859 local terms energy: -361.190257 where: bonds (distance) C4'-P energy: -52.884 bonds (distance) P-C4' energy: -65.554 flat angles C4'-P-C4' energy: -82.490 flat angles P-C4'-P energy: -51.325 tors. eta vs tors. theta energy: -108.936 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: 9 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -1144.227421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1144.227421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1144.227421 (E_RNA) where: Base-Base interactions energy: -789.541 where: short stacking energy: -327.672 Base-Backbone interact. energy: -2.700 local terms energy: -351.986763 where: bonds (distance) C4'-P energy: -64.404 bonds (distance) P-C4' energy: -64.589 flat angles C4'-P-C4' energy: -73.946 flat angles P-C4'-P energy: -50.488 tors. eta vs tors. theta energy: -98.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -1146.145474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.145474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.145474 (E_RNA) where: Base-Base interactions energy: -804.490 where: short stacking energy: -322.821 Base-Backbone interact. energy: -1.329 local terms energy: -340.326417 where: bonds (distance) C4'-P energy: -71.374 bonds (distance) P-C4' energy: -66.356 flat angles C4'-P-C4' energy: -66.028 flat angles P-C4'-P energy: -46.158 tors. eta vs tors. theta energy: -90.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -971.572011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -971.572011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -971.572011 (E_RNA) where: Base-Base interactions energy: -660.176 where: short stacking energy: -288.952 Base-Backbone interact. energy: -1.124 local terms energy: -310.271807 where: bonds (distance) C4'-P energy: -61.486 bonds (distance) P-C4' energy: -58.644 flat angles C4'-P-C4' energy: -66.496 flat angles P-C4'-P energy: -53.641 tors. eta vs tors. theta energy: -70.006 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: 6 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -939.445984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -939.445984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -939.445984 (E_RNA) where: Base-Base interactions energy: -609.953 where: short stacking energy: -304.039 Base-Backbone interact. energy: 0.951 local terms energy: -330.443974 where: bonds (distance) C4'-P energy: -54.758 bonds (distance) P-C4' energy: -62.888 flat angles C4'-P-C4' energy: -68.782 flat angles P-C4'-P energy: -39.682 tors. eta vs tors. theta energy: -104.334 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: 1 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -874.638352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.638352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.638352 (E_RNA) where: Base-Base interactions energy: -601.154 where: short stacking energy: -262.075 Base-Backbone interact. energy: -0.690 local terms energy: -272.793933 where: bonds (distance) C4'-P energy: -43.592 bonds (distance) P-C4' energy: -50.935 flat angles C4'-P-C4' energy: -68.623 flat angles P-C4'-P energy: -38.096 tors. eta vs tors. theta energy: -71.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -734.634602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -734.634602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -734.634602 (E_RNA) where: Base-Base interactions energy: -461.804 where: short stacking energy: -207.566 Base-Backbone interact. energy: -1.602 local terms energy: -271.227985 where: bonds (distance) C4'-P energy: -59.457 bonds (distance) P-C4' energy: -54.565 flat angles C4'-P-C4' energy: -62.257 flat angles P-C4'-P energy: -47.517 tors. eta vs tors. theta energy: -47.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -709.348185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -709.348185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -709.348185 (E_RNA) where: Base-Base interactions energy: -446.539 where: short stacking energy: -210.827 Base-Backbone interact. energy: 3.113 local terms energy: -265.922744 where: bonds (distance) C4'-P energy: -57.106 bonds (distance) P-C4' energy: -64.576 flat angles C4'-P-C4' energy: -57.649 flat angles P-C4'-P energy: -45.230 tors. eta vs tors. theta energy: -41.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -583.411688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -583.411688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -583.411688 (E_RNA) where: Base-Base interactions energy: -357.034 where: short stacking energy: -162.100 Base-Backbone interact. energy: 2.707 local terms energy: -229.084544 where: bonds (distance) C4'-P energy: -51.150 bonds (distance) P-C4' energy: -63.107 flat angles C4'-P-C4' energy: -61.114 flat angles P-C4'-P energy: -26.926 tors. eta vs tors. theta energy: -26.788 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: 10, replica: 7 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -424.754115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -424.754115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -424.754115 (E_RNA) where: Base-Base interactions energy: -213.959 where: short stacking energy: -115.164 Base-Backbone interact. energy: -2.279 local terms energy: -208.515701 where: bonds (distance) C4'-P energy: -56.274 bonds (distance) P-C4' energy: -60.253 flat angles C4'-P-C4' energy: -59.605 flat angles P-C4'-P energy: -25.431 tors. eta vs tors. theta energy: -6.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 461 Temperature: 0.900000 Total energy: -1208.934716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1208.934716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1208.934716 (E_RNA) where: Base-Base interactions energy: -830.338 where: short stacking energy: -337.194 Base-Backbone interact. energy: -2.629 local terms energy: -375.967679 where: bonds (distance) C4'-P energy: -68.495 bonds (distance) P-C4' energy: -72.282 flat angles C4'-P-C4' energy: -75.982 flat angles P-C4'-P energy: -55.024 tors. eta vs tors. theta energy: -104.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -1152.442788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.442788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.442788 (E_RNA) where: Base-Base interactions energy: -797.433 where: short stacking energy: -322.520 Base-Backbone interact. energy: -1.436 local terms energy: -353.573834 where: bonds (distance) C4'-P energy: -66.515 bonds (distance) P-C4' energy: -72.848 flat angles C4'-P-C4' energy: -75.033 flat angles P-C4'-P energy: -43.848 tors. eta vs tors. theta energy: -95.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -1103.310107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1103.310107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1103.310107 (E_RNA) where: Base-Base interactions energy: -786.618 where: short stacking energy: -317.719 Base-Backbone interact. energy: -2.296 local terms energy: -314.396127 where: bonds (distance) C4'-P energy: -66.798 bonds (distance) P-C4' energy: -50.931 flat angles C4'-P-C4' energy: -67.464 flat angles P-C4'-P energy: -37.648 tors. eta vs tors. theta energy: -91.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -973.432937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -973.432937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -973.432937 (E_RNA) where: Base-Base interactions energy: -642.787 where: short stacking energy: -285.182 Base-Backbone interact. energy: -0.617 local terms energy: -330.029761 where: bonds (distance) C4'-P energy: -66.301 bonds (distance) P-C4' energy: -65.037 flat angles C4'-P-C4' energy: -70.856 flat angles P-C4'-P energy: -52.860 tors. eta vs tors. theta energy: -74.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -898.415338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -898.415338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -898.415338 (E_RNA) where: Base-Base interactions energy: -581.096 where: short stacking energy: -252.440 Base-Backbone interact. energy: -1.627 local terms energy: -315.692114 where: bonds (distance) C4'-P energy: -53.152 bonds (distance) P-C4' energy: -64.185 flat angles C4'-P-C4' energy: -68.167 flat angles P-C4'-P energy: -44.377 tors. eta vs tors. theta energy: -85.811 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: 1 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -949.195645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.195645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.195645 (E_RNA) where: Base-Base interactions energy: -633.548 where: short stacking energy: -297.699 Base-Backbone interact. energy: -1.571 local terms energy: -314.075819 where: bonds (distance) C4'-P energy: -62.505 bonds (distance) P-C4' energy: -60.204 flat angles C4'-P-C4' energy: -65.637 flat angles P-C4'-P energy: -42.387 tors. eta vs tors. theta energy: -83.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -781.750960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -781.750960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -781.750960 (E_RNA) where: Base-Base interactions energy: -513.996 where: short stacking energy: -233.203 Base-Backbone interact. energy: -1.974 local terms energy: -265.781162 where: bonds (distance) C4'-P energy: -56.374 bonds (distance) P-C4' energy: -57.448 flat angles C4'-P-C4' energy: -59.893 flat angles P-C4'-P energy: -39.292 tors. eta vs tors. theta energy: -52.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -596.707044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -596.707044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -596.707044 (E_RNA) where: Base-Base interactions energy: -351.780 where: short stacking energy: -159.976 Base-Backbone interact. energy: -0.613 local terms energy: -244.313835 where: bonds (distance) C4'-P energy: -58.533 bonds (distance) P-C4' energy: -61.692 flat angles C4'-P-C4' energy: -65.405 flat angles P-C4'-P energy: -24.804 tors. eta vs tors. theta energy: -33.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -718.701112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -718.701112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -718.701112 (E_RNA) where: Base-Base interactions energy: -472.191 where: short stacking energy: -207.651 Base-Backbone interact. energy: -1.774 local terms energy: -244.736066 where: bonds (distance) C4'-P energy: -64.231 bonds (distance) P-C4' energy: -50.028 flat angles C4'-P-C4' energy: -43.696 flat angles P-C4'-P energy: -42.830 tors. eta vs tors. theta energy: -43.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -396.329978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -396.329978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -396.329978 (E_RNA) where: Base-Base interactions energy: -206.675 where: short stacking energy: -108.735 Base-Backbone interact. energy: -0.079 local terms energy: -189.576128 where: bonds (distance) C4'-P energy: -60.979 bonds (distance) P-C4' energy: -59.710 flat angles C4'-P-C4' energy: -41.999 flat angles P-C4'-P energy: -25.488 tors. eta vs tors. theta energy: -1.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -1192.073580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1192.073580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1192.073580 (E_RNA) where: Base-Base interactions energy: -846.324 where: short stacking energy: -334.929 Base-Backbone interact. energy: -2.994 local terms energy: -342.755698 where: bonds (distance) C4'-P energy: -63.581 bonds (distance) P-C4' energy: -64.565 flat angles C4'-P-C4' energy: -68.773 flat angles P-C4'-P energy: -43.100 tors. eta vs tors. theta energy: -102.736 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: 9 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -1147.852760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.852760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.852760 (E_RNA) where: Base-Base interactions energy: -807.187 where: short stacking energy: -348.525 Base-Backbone interact. energy: 0.532 local terms energy: -341.198520 where: bonds (distance) C4'-P energy: -54.362 bonds (distance) P-C4' energy: -69.424 flat angles C4'-P-C4' energy: -71.714 flat angles P-C4'-P energy: -48.472 tors. eta vs tors. theta energy: -97.226 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: 10 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -1099.790103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1099.790103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1099.790103 (E_RNA) where: Base-Base interactions energy: -784.995 where: short stacking energy: -297.275 Base-Backbone interact. energy: -2.798 local terms energy: -311.996267 where: bonds (distance) C4'-P energy: -56.939 bonds (distance) P-C4' energy: -62.869 flat angles C4'-P-C4' energy: -59.347 flat angles P-C4'-P energy: -40.895 tors. eta vs tors. theta energy: -91.946 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: 2 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -983.069955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -983.069955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -983.069955 (E_RNA) where: Base-Base interactions energy: -677.036 where: short stacking energy: -305.041 Base-Backbone interact. energy: -0.799 local terms energy: -305.234733 where: bonds (distance) C4'-P energy: -50.335 bonds (distance) P-C4' energy: -55.294 flat angles C4'-P-C4' energy: -74.335 flat angles P-C4'-P energy: -40.212 tors. eta vs tors. theta energy: -85.059 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: 1 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -949.401604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -949.401604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -949.401604 (E_RNA) where: Base-Base interactions energy: -632.646 where: short stacking energy: -268.964 Base-Backbone interact. energy: -1.210 local terms energy: -315.545967 where: bonds (distance) C4'-P energy: -62.688 bonds (distance) P-C4' energy: -55.907 flat angles C4'-P-C4' energy: -71.474 flat angles P-C4'-P energy: -47.525 tors. eta vs tors. theta energy: -77.952 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: 6 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -908.962226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -908.962226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -908.962226 (E_RNA) where: Base-Base interactions energy: -596.176 where: short stacking energy: -274.443 Base-Backbone interact. energy: -0.570 local terms energy: -312.216864 where: bonds (distance) C4'-P energy: -50.844 bonds (distance) P-C4' energy: -63.249 flat angles C4'-P-C4' energy: -64.839 flat angles P-C4'-P energy: -52.843 tors. eta vs tors. theta energy: -80.442 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: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -793.664065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -793.664065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -793.664065 (E_RNA) where: Base-Base interactions energy: -524.647 where: short stacking energy: -229.553 Base-Backbone interact. energy: -2.140 local terms energy: -266.876441 where: bonds (distance) C4'-P energy: -52.376 bonds (distance) P-C4' energy: -60.267 flat angles C4'-P-C4' energy: -67.441 flat angles P-C4'-P energy: -31.986 tors. eta vs tors. theta energy: -54.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -579.978003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -579.978003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -579.978003 (E_RNA) where: Base-Base interactions energy: -363.709 where: short stacking energy: -163.447 Base-Backbone interact. energy: 1.385 local terms energy: -217.654414 where: bonds (distance) C4'-P energy: -44.484 bonds (distance) P-C4' energy: -57.537 flat angles C4'-P-C4' energy: -52.867 flat angles P-C4'-P energy: -37.056 tors. eta vs tors. theta energy: -25.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -713.702402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -713.702402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -713.702402 (E_RNA) where: Base-Base interactions energy: -463.033 where: short stacking energy: -215.912 Base-Backbone interact. energy: 1.777 local terms energy: -252.446617 where: bonds (distance) C4'-P energy: -46.937 bonds (distance) P-C4' energy: -57.442 flat angles C4'-P-C4' energy: -53.467 flat angles P-C4'-P energy: -43.917 tors. eta vs tors. theta energy: -50.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -426.538628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -426.538628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -426.538628 (E_RNA) where: Base-Base interactions energy: -213.183 where: short stacking energy: -105.921 Base-Backbone interact. energy: 1.809 local terms energy: -215.164838 where: bonds (distance) C4'-P energy: -43.299 bonds (distance) P-C4' energy: -66.033 flat angles C4'-P-C4' energy: -45.494 flat angles P-C4'-P energy: -47.253 tors. eta vs tors. theta energy: -13.086 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: 8 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -1195.284569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1195.284569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1195.284569 (E_RNA) where: Base-Base interactions energy: -837.154 where: short stacking energy: -334.841 Base-Backbone interact. energy: -1.079 local terms energy: -357.051612 where: bonds (distance) C4'-P energy: -65.686 bonds (distance) P-C4' energy: -71.902 flat angles C4'-P-C4' energy: -74.436 flat angles P-C4'-P energy: -51.417 tors. eta vs tors. theta energy: -93.611 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: 9 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -1146.993064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1146.993064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1146.993064 (E_RNA) where: Base-Base interactions energy: -793.990 where: short stacking energy: -330.778 Base-Backbone interact. energy: -1.107 local terms energy: -351.895555 where: bonds (distance) C4'-P energy: -62.357 bonds (distance) P-C4' energy: -68.630 flat angles C4'-P-C4' energy: -75.877 flat angles P-C4'-P energy: -50.159 tors. eta vs tors. theta energy: -94.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 463 Temperature: 1.000000 Total energy: -1112.344995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1112.344995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1112.344995 (E_RNA) where: Base-Base interactions energy: -774.389 where: short stacking energy: -304.284 Base-Backbone interact. energy: -1.139 local terms energy: -336.816952 where: bonds (distance) C4'-P energy: -66.293 bonds (distance) P-C4' energy: -59.337 flat angles C4'-P-C4' energy: -68.381 flat angles P-C4'-P energy: -42.783 tors. eta vs tors. theta energy: -100.023 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: 2 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -1010.007602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1010.007602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1010.007602 (E_RNA) where: Base-Base interactions energy: -682.149 where: short stacking energy: -294.365 Base-Backbone interact. energy: -0.440 local terms energy: -327.419202 where: bonds (distance) C4'-P energy: -65.072 bonds (distance) P-C4' energy: -62.565 flat angles C4'-P-C4' energy: -64.846 flat angles P-C4'-P energy: -52.979 tors. eta vs tors. theta energy: -81.957 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: 5, replica: 1 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -948.274580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -948.274580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -948.274580 (E_RNA) where: Base-Base interactions energy: -644.100 where: short stacking energy: -269.825 Base-Backbone interact. energy: -1.449 local terms energy: -302.726091 where: bonds (distance) C4'-P energy: -51.681 bonds (distance) P-C4' energy: -59.311 flat angles C4'-P-C4' energy: -67.617 flat angles P-C4'-P energy: -46.859 tors. eta vs tors. theta energy: -77.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -884.887402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -884.887402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -884.887402 (E_RNA) where: Base-Base interactions energy: -589.089 where: short stacking energy: -275.045 Base-Backbone interact. energy: 0.190 local terms energy: -295.987870 where: bonds (distance) C4'-P energy: -41.105 bonds (distance) P-C4' energy: -59.416 flat angles C4'-P-C4' energy: -68.115 flat angles P-C4'-P energy: -43.256 tors. eta vs tors. theta energy: -84.096 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: 5 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -753.961210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -753.961210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -753.961210 (E_RNA) where: Base-Base interactions energy: -488.867 where: short stacking energy: -209.705 Base-Backbone interact. energy: -1.821 local terms energy: -263.273719 where: bonds (distance) C4'-P energy: -48.215 bonds (distance) P-C4' energy: -58.188 flat angles C4'-P-C4' energy: -61.040 flat angles P-C4'-P energy: -50.807 tors. eta vs tors. theta energy: -45.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -687.325497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -687.325497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -687.325497 (E_RNA) where: Base-Base interactions energy: -444.680 where: short stacking energy: -203.071 Base-Backbone interact. energy: -0.945 local terms energy: -241.700732 where: bonds (distance) C4'-P energy: -55.125 bonds (distance) P-C4' energy: -54.635 flat angles C4'-P-C4' energy: -53.837 flat angles P-C4'-P energy: -37.809 tors. eta vs tors. theta energy: -40.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -536.699766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -536.699766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -536.699766 (E_RNA) where: Base-Base interactions energy: -319.019 where: short stacking energy: -164.948 Base-Backbone interact. energy: 0.859 local terms energy: -218.540483 where: bonds (distance) C4'-P energy: -46.918 bonds (distance) P-C4' energy: -55.852 flat angles C4'-P-C4' energy: -53.022 flat angles P-C4'-P energy: -31.764 tors. eta vs tors. theta energy: -30.985 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: 7 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -408.576357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -408.576357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -408.576357 (E_RNA) where: Base-Base interactions energy: -191.018 where: short stacking energy: -103.537 Base-Backbone interact. energy: 4.760 local terms energy: -222.318939 where: bonds (distance) C4'-P energy: -56.883 bonds (distance) P-C4' energy: -55.694 flat angles C4'-P-C4' energy: -55.525 flat angles P-C4'-P energy: -48.531 tors. eta vs tors. theta energy: -5.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -1223.582717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1223.582717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1223.582717 (E_RNA) where: Base-Base interactions energy: -851.491 where: short stacking energy: -337.781 Base-Backbone interact. energy: -2.589 local terms energy: -369.502032 where: bonds (distance) C4'-P energy: -70.550 bonds (distance) P-C4' energy: -66.996 flat angles C4'-P-C4' energy: -78.597 flat angles P-C4'-P energy: -49.504 tors. eta vs tors. theta energy: -103.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -1148.140636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1148.140636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1148.140636 (E_RNA) where: Base-Base interactions energy: -795.766 where: short stacking energy: -314.756 Base-Backbone interact. energy: -1.786 local terms energy: -350.588137 where: bonds (distance) C4'-P energy: -58.730 bonds (distance) P-C4' energy: -72.654 flat angles C4'-P-C4' energy: -73.058 flat angles P-C4'-P energy: -54.025 tors. eta vs tors. theta energy: -92.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -1101.510289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1101.510289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1101.510289 (E_RNA) where: Base-Base interactions energy: -773.218 where: short stacking energy: -314.618 Base-Backbone interact. energy: 0.752 local terms energy: -329.044278 where: bonds (distance) C4'-P energy: -54.581 bonds (distance) P-C4' energy: -67.568 flat angles C4'-P-C4' energy: -68.520 flat angles P-C4'-P energy: -43.128 tors. eta vs tors. theta energy: -95.246 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: 2 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -1024.092991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1024.092991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1024.092991 (E_RNA) where: Base-Base interactions energy: -685.301 where: short stacking energy: -305.323 Base-Backbone interact. energy: -0.292 local terms energy: -338.500909 where: bonds (distance) C4'-P energy: -67.879 bonds (distance) P-C4' energy: -62.244 flat angles C4'-P-C4' energy: -73.924 flat angles P-C4'-P energy: -47.477 tors. eta vs tors. theta energy: -86.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -960.972008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -960.972008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -960.972008 (E_RNA) where: Base-Base interactions energy: -646.293 where: short stacking energy: -280.637 Base-Backbone interact. energy: -1.391 local terms energy: -313.287853 where: bonds (distance) C4'-P energy: -50.638 bonds (distance) P-C4' energy: -57.209 flat angles C4'-P-C4' energy: -70.636 flat angles P-C4'-P energy: -51.297 tors. eta vs tors. theta energy: -83.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 464 Temperature: 1.150000 Total energy: -874.913306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -874.913306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -874.913306 (E_RNA) where: Base-Base interactions energy: -570.159 where: short stacking energy: -256.098 Base-Backbone interact. energy: -1.191 local terms energy: -303.564093 where: bonds (distance) C4'-P energy: -49.666 bonds (distance) P-C4' energy: -72.483 flat angles C4'-P-C4' energy: -59.665 flat angles P-C4'-P energy: -42.858 tors. eta vs tors. theta energy: -78.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -755.240221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -755.240221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -755.240221 (E_RNA) where: Base-Base interactions energy: -486.738 where: short stacking energy: -208.031 Base-Backbone interact. energy: -0.540 local terms energy: -267.961423 where: bonds (distance) C4'-P energy: -57.127 bonds (distance) P-C4' energy: -60.789 flat angles C4'-P-C4' energy: -52.441 flat angles P-C4'-P energy: -47.332 tors. eta vs tors. theta energy: -50.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -692.948362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -692.948362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -692.948362 (E_RNA) where: Base-Base interactions energy: -449.453 where: short stacking energy: -198.167 Base-Backbone interact. energy: -0.356 local terms energy: -243.138987 where: bonds (distance) C4'-P energy: -58.307 bonds (distance) P-C4' energy: -56.750 flat angles C4'-P-C4' energy: -55.294 flat angles P-C4'-P energy: -40.939 tors. eta vs tors. theta energy: -31.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -532.645404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -532.645404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -532.645404 (E_RNA) where: Base-Base interactions energy: -306.978 where: short stacking energy: -137.132 Base-Backbone interact. energy: -0.337 local terms energy: -225.330639 where: bonds (distance) C4'-P energy: -59.861 bonds (distance) P-C4' energy: -61.173 flat angles C4'-P-C4' energy: -51.884 flat angles P-C4'-P energy: -36.039 tors. eta vs tors. theta energy: -16.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -427.279681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -427.279681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -427.279681 (E_RNA) where: Base-Base interactions energy: -223.673 where: short stacking energy: -121.152 Base-Backbone interact. energy: -0.988 local terms energy: -202.618348 where: bonds (distance) C4'-P energy: -66.538 bonds (distance) P-C4' energy: -54.833 flat angles C4'-P-C4' energy: -45.701 flat angles P-C4'-P energy: -27.723 tors. eta vs tors. theta energy: -7.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -1203.020581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1203.020581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1203.020581 (E_RNA) where: Base-Base interactions energy: -838.485 where: short stacking energy: -338.281 Base-Backbone interact. energy: -4.388 local terms energy: -360.146866 where: bonds (distance) C4'-P energy: -69.775 bonds (distance) P-C4' energy: -67.123 flat angles C4'-P-C4' energy: -72.048 flat angles P-C4'-P energy: -49.427 tors. eta vs tors. theta energy: -101.774 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: 10 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -1134.826887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1134.826887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1134.826887 (E_RNA) where: Base-Base interactions energy: -793.104 where: short stacking energy: -306.160 Base-Backbone interact. energy: -0.665 local terms energy: -341.057604 where: bonds (distance) C4'-P energy: -71.702 bonds (distance) P-C4' energy: -63.371 flat angles C4'-P-C4' energy: -69.966 flat angles P-C4'-P energy: -48.153 tors. eta vs tors. theta energy: -87.865 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: 465 Temperature: 1.000000 Total energy: -1125.736577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1125.736577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1125.736577 (E_RNA) where: Base-Base interactions energy: -785.417 where: short stacking energy: -326.522 Base-Backbone interact. energy: -1.216 local terms energy: -339.103278 where: bonds (distance) C4'-P energy: -59.301 bonds (distance) P-C4' energy: -71.019 flat angles C4'-P-C4' energy: -62.998 flat angles P-C4'-P energy: -51.513 tors. eta vs tors. theta energy: -94.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -1007.902724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1007.902724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1007.902724 (E_RNA) where: Base-Base interactions energy: -666.337 where: short stacking energy: -300.439 Base-Backbone interact. energy: -2.419 local terms energy: -339.147256 where: bonds (distance) C4'-P energy: -70.728 bonds (distance) P-C4' energy: -71.056 flat angles C4'-P-C4' energy: -58.313 flat angles P-C4'-P energy: -51.343 tors. eta vs tors. theta energy: -87.707 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: 2 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -959.868972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -959.868972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -959.868972 (E_RNA) where: Base-Base interactions energy: -645.603 where: short stacking energy: -257.698 Base-Backbone interact. energy: -3.597 local terms energy: -310.669415 where: bonds (distance) C4'-P energy: -62.055 bonds (distance) P-C4' energy: -62.955 flat angles C4'-P-C4' energy: -65.658 flat angles P-C4'-P energy: -48.655 tors. eta vs tors. theta energy: -71.347 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: 6, replica: 6 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -905.730547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -905.730547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -905.730547 (E_RNA) where: Base-Base interactions energy: -599.095 where: short stacking energy: -293.954 Base-Backbone interact. energy: -0.487 local terms energy: -306.148387 where: bonds (distance) C4'-P energy: -57.831 bonds (distance) P-C4' energy: -58.177 flat angles C4'-P-C4' energy: -65.365 flat angles P-C4'-P energy: -40.494 tors. eta vs tors. theta energy: -84.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -759.329475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -759.329475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -759.329475 (E_RNA) where: Base-Base interactions energy: -480.514 where: short stacking energy: -224.898 Base-Backbone interact. energy: -1.487 local terms energy: -277.328050 where: bonds (distance) C4'-P energy: -60.642 bonds (distance) P-C4' energy: -62.254 flat angles C4'-P-C4' energy: -65.637 flat angles P-C4'-P energy: -35.178 tors. eta vs tors. theta energy: -53.616 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -706.134231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -706.134231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -706.134231 (E_RNA) where: Base-Base interactions energy: -458.482 where: short stacking energy: -208.678 Base-Backbone interact. energy: 1.185 local terms energy: -248.837435 where: bonds (distance) C4'-P energy: -62.014 bonds (distance) P-C4' energy: -37.331 flat angles C4'-P-C4' energy: -61.067 flat angles P-C4'-P energy: -39.884 tors. eta vs tors. theta energy: -48.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -519.549159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -519.549159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -519.549159 (E_RNA) where: Base-Base interactions energy: -308.614 where: short stacking energy: -148.856 Base-Backbone interact. energy: 2.118 local terms energy: -213.053389 where: bonds (distance) C4'-P energy: -44.903 bonds (distance) P-C4' energy: -58.253 flat angles C4'-P-C4' energy: -63.150 flat angles P-C4'-P energy: -31.401 tors. eta vs tors. theta energy: -15.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -417.279646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -417.279646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -417.279646 (E_RNA) where: Base-Base interactions energy: -229.580 where: short stacking energy: -129.719 Base-Backbone interact. energy: 0.480 local terms energy: -188.179219 where: bonds (distance) C4'-P energy: -51.282 bonds (distance) P-C4' energy: -54.954 flat angles C4'-P-C4' energy: -41.826 flat angles P-C4'-P energy: -21.425 tors. eta vs tors. theta energy: -18.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -1205.559698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1205.559698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1205.559698 (E_RNA) where: Base-Base interactions energy: -833.780 where: short stacking energy: -334.861 Base-Backbone interact. energy: -3.624 local terms energy: -368.155666 where: bonds (distance) C4'-P energy: -67.685 bonds (distance) P-C4' energy: -64.069 flat angles C4'-P-C4' energy: -79.431 flat angles P-C4'-P energy: -54.912 tors. eta vs tors. theta energy: -102.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -1152.846858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1152.846858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1152.846858 (E_RNA) where: Base-Base interactions energy: -813.601 where: short stacking energy: -322.659 Base-Backbone interact. energy: 0.521 local terms energy: -339.767612 where: bonds (distance) C4'-P energy: -63.061 bonds (distance) P-C4' energy: -69.197 flat angles C4'-P-C4' energy: -71.298 flat angles P-C4'-P energy: -40.159 tors. eta vs tors. theta energy: -96.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -1110.244684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1110.244684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1110.244684 (E_RNA) where: Base-Base interactions energy: -780.037 where: short stacking energy: -313.810 Base-Backbone interact. energy: -0.607 local terms energy: -329.599897 where: bonds (distance) C4'-P energy: -61.697 bonds (distance) P-C4' energy: -56.898 flat angles C4'-P-C4' energy: -73.316 flat angles P-C4'-P energy: -50.879 tors. eta vs tors. theta energy: -86.810 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: 4, replica: 1 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -1003.196876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1003.196876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1003.196876 (E_RNA) where: Base-Base interactions energy: -681.533 where: short stacking energy: -294.646 Base-Backbone interact. energy: 0.292 local terms energy: -321.955580 where: bonds (distance) C4'-P energy: -55.880 bonds (distance) P-C4' energy: -63.263 flat angles C4'-P-C4' energy: -65.713 flat angles P-C4'-P energy: -46.881 tors. eta vs tors. theta energy: -90.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -923.908350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -923.908350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -923.908350 (E_RNA) where: Base-Base interactions energy: -635.460 where: short stacking energy: -284.298 Base-Backbone interact. energy: -2.029 local terms energy: -286.419153 where: bonds (distance) C4'-P energy: -60.274 bonds (distance) P-C4' energy: -61.726 flat angles C4'-P-C4' energy: -60.313 flat angles P-C4'-P energy: -37.128 tors. eta vs tors. theta energy: -66.979 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: 6 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -920.212123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -920.212123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -920.212123 (E_RNA) where: Base-Base interactions energy: -607.169 where: short stacking energy: -292.603 Base-Backbone interact. energy: -2.222 local terms energy: -310.821255 where: bonds (distance) C4'-P energy: -51.112 bonds (distance) P-C4' energy: -49.581 flat angles C4'-P-C4' energy: -70.067 flat angles P-C4'-P energy: -51.264 tors. eta vs tors. theta energy: -88.796 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: 7, replica: 4 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -742.130831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -742.130831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -742.130831 (E_RNA) where: Base-Base interactions energy: -483.534 where: short stacking energy: -207.480 Base-Backbone interact. energy: -0.780 local terms energy: -257.817294 where: bonds (distance) C4'-P energy: -48.078 bonds (distance) P-C4' energy: -66.194 flat angles C4'-P-C4' energy: -69.160 flat angles P-C4'-P energy: -40.743 tors. eta vs tors. theta energy: -33.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -697.830915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.830915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.830915 (E_RNA) where: Base-Base interactions energy: -449.599 where: short stacking energy: -202.166 Base-Backbone interact. energy: -3.481 local terms energy: -244.750187 where: bonds (distance) C4'-P energy: -41.050 bonds (distance) P-C4' energy: -54.647 flat angles C4'-P-C4' energy: -58.041 flat angles P-C4'-P energy: -41.291 tors. eta vs tors. theta energy: -49.721 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: 9, replica: 3 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -540.275304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -540.275304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -540.275304 (E_RNA) where: Base-Base interactions energy: -326.279 where: short stacking energy: -180.064 Base-Backbone interact. energy: 4.122 local terms energy: -218.118677 where: bonds (distance) C4'-P energy: -58.577 bonds (distance) P-C4' energy: -50.307 flat angles C4'-P-C4' energy: -44.892 flat angles P-C4'-P energy: -36.524 tors. eta vs tors. theta energy: -27.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -421.603722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -421.603722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -421.603722 (E_RNA) where: Base-Base interactions energy: -219.604 where: short stacking energy: -111.909 Base-Backbone interact. energy: 2.383 local terms energy: -204.383051 where: bonds (distance) C4'-P energy: -52.646 bonds (distance) P-C4' energy: -58.863 flat angles C4'-P-C4' energy: -53.019 flat angles P-C4'-P energy: -22.554 tors. eta vs tors. theta energy: -17.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -1193.282153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1193.282153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1193.282153 (E_RNA) where: Base-Base interactions energy: -836.225 where: short stacking energy: -347.291 Base-Backbone interact. energy: -2.559 local terms energy: -354.498023 where: bonds (distance) C4'-P energy: -61.024 bonds (distance) P-C4' energy: -67.324 flat angles C4'-P-C4' energy: -77.564 flat angles P-C4'-P energy: -53.189 tors. eta vs tors. theta energy: -95.398 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: 10 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -1147.430773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1147.430773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1147.430773 (E_RNA) where: Base-Base interactions energy: -796.745 where: short stacking energy: -323.635 Base-Backbone interact. energy: -3.045 local terms energy: -347.640911 where: bonds (distance) C4'-P energy: -72.375 bonds (distance) P-C4' energy: -69.724 flat angles C4'-P-C4' energy: -71.288 flat angles P-C4'-P energy: -40.702 tors. eta vs tors. theta energy: -93.551 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: 3, replica: 9 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -1076.921278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1076.921278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1076.921278 (E_RNA) where: Base-Base interactions energy: -741.241 where: short stacking energy: -294.414 Base-Backbone interact. energy: -0.877 local terms energy: -334.803592 where: bonds (distance) C4'-P energy: -64.789 bonds (distance) P-C4' energy: -65.406 flat angles C4'-P-C4' energy: -68.276 flat angles P-C4'-P energy: -45.448 tors. eta vs tors. theta energy: -90.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -974.171294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.171294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.171294 (E_RNA) where: Base-Base interactions energy: -658.510 where: short stacking energy: -283.349 Base-Backbone interact. energy: -1.453 local terms energy: -314.208774 where: bonds (distance) C4'-P energy: -56.552 bonds (distance) P-C4' energy: -65.176 flat angles C4'-P-C4' energy: -71.223 flat angles P-C4'-P energy: -41.293 tors. eta vs tors. theta energy: -79.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -966.565585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -966.565585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -966.565585 (E_RNA) where: Base-Base interactions energy: -659.704 where: short stacking energy: -269.682 Base-Backbone interact. energy: -2.771 local terms energy: -304.090349 where: bonds (distance) C4'-P energy: -59.431 bonds (distance) P-C4' energy: -68.912 flat angles C4'-P-C4' energy: -51.331 flat angles P-C4'-P energy: -45.810 tors. eta vs tors. theta energy: -78.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -913.103010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -913.103010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -913.103010 (E_RNA) where: Base-Base interactions energy: -600.854 where: short stacking energy: -288.367 Base-Backbone interact. energy: -0.478 local terms energy: -311.771015 where: bonds (distance) C4'-P energy: -46.738 bonds (distance) P-C4' energy: -68.188 flat angles C4'-P-C4' energy: -60.023 flat angles P-C4'-P energy: -43.693 tors. eta vs tors. theta energy: -93.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -784.031289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -784.031289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -784.031289 (E_RNA) where: Base-Base interactions energy: -521.814 where: short stacking energy: -217.242 Base-Backbone interact. energy: 0.440 local terms energy: -262.657202 where: bonds (distance) C4'-P energy: -50.859 bonds (distance) P-C4' energy: -56.720 flat angles C4'-P-C4' energy: -65.111 flat angles P-C4'-P energy: -40.095 tors. eta vs tors. theta energy: -49.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -697.772187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -697.772187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -697.772187 (E_RNA) where: Base-Base interactions energy: -455.454 where: short stacking energy: -191.507 Base-Backbone interact. energy: -1.652 local terms energy: -240.666089 where: bonds (distance) C4'-P energy: -58.364 bonds (distance) P-C4' energy: -51.347 flat angles C4'-P-C4' energy: -57.136 flat angles P-C4'-P energy: -35.081 tors. eta vs tors. theta energy: -38.739 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: 3 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -537.490596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -537.490596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -537.490596 (E_RNA) where: Base-Base interactions energy: -310.836 where: short stacking energy: -147.792 Base-Backbone interact. energy: -0.635 local terms energy: -226.020243 where: bonds (distance) C4'-P energy: -57.087 bonds (distance) P-C4' energy: -58.959 flat angles C4'-P-C4' energy: -55.403 flat angles P-C4'-P energy: -22.932 tors. eta vs tors. theta energy: -31.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -429.287838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -429.287838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -429.287838 (E_RNA) where: Base-Base interactions energy: -239.313 where: short stacking energy: -118.959 Base-Backbone interact. energy: 0.102 local terms energy: -190.076518 where: bonds (distance) C4'-P energy: -52.354 bonds (distance) P-C4' energy: -49.914 flat angles C4'-P-C4' energy: -48.807 flat angles P-C4'-P energy: -33.396 tors. eta vs tors. theta energy: -5.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -1227.452082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1227.452082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1227.452082 (E_RNA) where: Base-Base interactions energy: -860.126 where: short stacking energy: -355.290 Base-Backbone interact. energy: -3.231 local terms energy: -364.094587 where: bonds (distance) C4'-P energy: -67.545 bonds (distance) P-C4' energy: -65.621 flat angles C4'-P-C4' energy: -77.358 flat angles P-C4'-P energy: -49.234 tors. eta vs tors. theta energy: -104.338 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: 10 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -1113.177461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1113.177461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1113.177461 (E_RNA) where: Base-Base interactions energy: -776.069 where: short stacking energy: -322.194 Base-Backbone interact. energy: 2.162 local terms energy: -339.270238 where: bonds (distance) C4'-P energy: -67.657 bonds (distance) P-C4' energy: -66.008 flat angles C4'-P-C4' energy: -60.456 flat angles P-C4'-P energy: -45.295 tors. eta vs tors. theta energy: -99.854 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: 9 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -1090.610310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1090.610310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1090.610310 (E_RNA) where: Base-Base interactions energy: -756.059 where: short stacking energy: -302.906 Base-Backbone interact. energy: -1.258 local terms energy: -333.292807 where: bonds (distance) C4'-P energy: -53.409 bonds (distance) P-C4' energy: -62.541 flat angles C4'-P-C4' energy: -73.334 flat angles P-C4'-P energy: -49.554 tors. eta vs tors. theta energy: -94.455 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: 4, replica: 2 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -1033.374959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1033.374959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1033.374959 (E_RNA) where: Base-Base interactions energy: -720.325 where: short stacking energy: -295.431 Base-Backbone interact. energy: -0.011 local terms energy: -313.038731 where: bonds (distance) C4'-P energy: -55.985 bonds (distance) P-C4' energy: -66.002 flat angles C4'-P-C4' energy: -68.945 flat angles P-C4'-P energy: -43.251 tors. eta vs tors. theta energy: -78.856 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: 1 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -974.786647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -974.786647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -974.786647 (E_RNA) where: Base-Base interactions energy: -662.881 where: short stacking energy: -294.902 Base-Backbone interact. energy: -0.761 local terms energy: -311.145067 where: bonds (distance) C4'-P energy: -63.375 bonds (distance) P-C4' energy: -65.995 flat angles C4'-P-C4' energy: -64.214 flat angles P-C4'-P energy: -34.411 tors. eta vs tors. theta energy: -83.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -886.496405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -886.496405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -886.496405 (E_RNA) where: Base-Base interactions energy: -584.629 where: short stacking energy: -259.597 Base-Backbone interact. energy: -0.984 local terms energy: -300.883948 where: bonds (distance) C4'-P energy: -56.794 bonds (distance) P-C4' energy: -65.362 flat angles C4'-P-C4' energy: -58.910 flat angles P-C4'-P energy: -45.013 tors. eta vs tors. theta energy: -74.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -832.859697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -832.859697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -832.859697 (E_RNA) where: Base-Base interactions energy: -569.217 where: short stacking energy: -246.698 Base-Backbone interact. energy: -0.989 local terms energy: -262.654002 where: bonds (distance) C4'-P energy: -57.678 bonds (distance) P-C4' energy: -48.972 flat angles C4'-P-C4' energy: -54.191 flat angles P-C4'-P energy: -41.728 tors. eta vs tors. theta energy: -60.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -684.907298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -684.907298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -684.907298 (E_RNA) where: Base-Base interactions energy: -436.881 where: short stacking energy: -193.203 Base-Backbone interact. energy: 1.461 local terms energy: -249.486695 where: bonds (distance) C4'-P energy: -66.058 bonds (distance) P-C4' energy: -54.943 flat angles C4'-P-C4' energy: -52.870 flat angles P-C4'-P energy: -38.458 tors. eta vs tors. theta energy: -37.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -453.998351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -453.998351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -453.998351 (E_RNA) where: Base-Base interactions energy: -250.718 where: short stacking energy: -125.235 Base-Backbone interact. energy: -2.329 local terms energy: -200.951328 where: bonds (distance) C4'-P energy: -48.390 bonds (distance) P-C4' energy: -66.050 flat angles C4'-P-C4' energy: -53.811 flat angles P-C4'-P energy: -20.191 tors. eta vs tors. theta energy: -12.509 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: 3 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -505.180322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -505.180322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -505.180322 (E_RNA) where: Base-Base interactions energy: -303.269 where: short stacking energy: -161.262 Base-Backbone interact. energy: -0.226 local terms energy: -201.685300 where: bonds (distance) C4'-P energy: -53.780 bonds (distance) P-C4' energy: -43.734 flat angles C4'-P-C4' energy: -49.795 flat angles P-C4'-P energy: -29.552 tors. eta vs tors. theta energy: -24.824 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: 8 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -1210.522828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1210.522828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1210.522828 (E_RNA) where: Base-Base interactions energy: -841.804 where: short stacking energy: -340.775 Base-Backbone interact. energy: -0.424 local terms energy: -368.294868 where: bonds (distance) C4'-P energy: -71.403 bonds (distance) P-C4' energy: -67.036 flat angles C4'-P-C4' energy: -75.566 flat angles P-C4'-P energy: -49.767 tors. eta vs tors. theta energy: -104.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -1136.108146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1136.108146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1136.108146 (E_RNA) where: Base-Base interactions energy: -787.575 where: short stacking energy: -330.682 Base-Backbone interact. energy: -1.891 local terms energy: -346.642077 where: bonds (distance) C4'-P energy: -62.889 bonds (distance) P-C4' energy: -65.690 flat angles C4'-P-C4' energy: -75.010 flat angles P-C4'-P energy: -46.572 tors. eta vs tors. theta energy: -96.480 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: 10 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -1102.384170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1102.384170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1102.384170 (E_RNA) where: Base-Base interactions energy: -773.859 where: short stacking energy: -312.109 Base-Backbone interact. energy: -1.373 local terms energy: -327.152647 where: bonds (distance) C4'-P energy: -64.037 bonds (distance) P-C4' energy: -64.760 flat angles C4'-P-C4' energy: -62.842 flat angles P-C4'-P energy: -43.929 tors. eta vs tors. theta energy: -91.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -1044.428956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1044.428956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1044.428956 (E_RNA) where: Base-Base interactions energy: -694.243 where: short stacking energy: -302.417 Base-Backbone interact. energy: -2.219 local terms energy: -347.967004 where: bonds (distance) C4'-P energy: -57.991 bonds (distance) P-C4' energy: -65.453 flat angles C4'-P-C4' energy: -71.203 flat angles P-C4'-P energy: -62.959 tors. eta vs tors. theta energy: -90.362 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: 1 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -998.949992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -998.949992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -998.949992 (E_RNA) where: Base-Base interactions energy: -682.641 where: short stacking energy: -314.555 Base-Backbone interact. energy: -2.147 local terms energy: -314.161765 where: bonds (distance) C4'-P energy: -53.513 bonds (distance) P-C4' energy: -58.287 flat angles C4'-P-C4' energy: -70.238 flat angles P-C4'-P energy: -39.729 tors. eta vs tors. theta energy: -92.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -861.447514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -861.447514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -861.447514 (E_RNA) where: Base-Base interactions energy: -564.949 where: short stacking energy: -256.352 Base-Backbone interact. energy: -0.923 local terms energy: -295.575384 where: bonds (distance) C4'-P energy: -59.058 bonds (distance) P-C4' energy: -65.647 flat angles C4'-P-C4' energy: -62.786 flat angles P-C4'-P energy: -46.111 tors. eta vs tors. theta energy: -61.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -840.895858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -840.895858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -840.895858 (E_RNA) where: Base-Base interactions energy: -545.656 where: short stacking energy: -238.594 Base-Backbone interact. energy: -0.864 local terms energy: -294.375601 where: bonds (distance) C4'-P energy: -60.348 bonds (distance) P-C4' energy: -62.920 flat angles C4'-P-C4' energy: -66.727 flat angles P-C4'-P energy: -41.440 tors. eta vs tors. theta energy: -62.941 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: 5 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -700.475427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -700.475427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -700.475427 (E_RNA) where: Base-Base interactions energy: -447.506 where: short stacking energy: -214.433 Base-Backbone interact. energy: -1.697 local terms energy: -251.272316 where: bonds (distance) C4'-P energy: -48.391 bonds (distance) P-C4' energy: -60.628 flat angles C4'-P-C4' energy: -58.765 flat angles P-C4'-P energy: -42.611 tors. eta vs tors. theta energy: -40.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -456.482184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -456.482184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -456.482184 (E_RNA) where: Base-Base interactions energy: -247.809 where: short stacking energy: -129.564 Base-Backbone interact. energy: -2.185 local terms energy: -206.488152 where: bonds (distance) C4'-P energy: -57.321 bonds (distance) P-C4' energy: -64.183 flat angles C4'-P-C4' energy: -50.998 flat angles P-C4'-P energy: -32.704 tors. eta vs tors. theta energy: -1.282 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: 10, replica: 3 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -473.361744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -473.361744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -473.361744 (E_RNA) where: Base-Base interactions energy: -259.149 where: short stacking energy: -145.846 Base-Backbone interact. energy: -1.129 local terms energy: -213.084324 where: bonds (distance) C4'-P energy: -59.450 bonds (distance) P-C4' energy: -57.211 flat angles C4'-P-C4' energy: -40.254 flat angles P-C4'-P energy: -35.128 tors. eta vs tors. theta energy: -21.042 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -1149.665944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.665944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.665944 (E_RNA) where: Base-Base interactions energy: -796.260 where: short stacking energy: -335.473 Base-Backbone interact. energy: 0.399 local terms energy: -353.804560 where: bonds (distance) C4'-P energy: -63.380 bonds (distance) P-C4' energy: -67.915 flat angles C4'-P-C4' energy: -76.126 flat angles P-C4'-P energy: -51.458 tors. eta vs tors. theta energy: -94.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 8 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -1184.549833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1184.549833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1184.549833 (E_RNA) where: Base-Base interactions energy: -837.782 where: short stacking energy: -341.430 Base-Backbone interact. energy: -3.360 local terms energy: -343.407903 where: bonds (distance) C4'-P energy: -56.864 bonds (distance) P-C4' energy: -63.081 flat angles C4'-P-C4' energy: -67.237 flat angles P-C4'-P energy: -51.657 tors. eta vs tors. theta energy: -104.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -1119.765687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1119.765687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1119.765687 (E_RNA) where: Base-Base interactions energy: -788.416 where: short stacking energy: -325.912 Base-Backbone interact. energy: -1.237 local terms energy: -330.111727 where: bonds (distance) C4'-P energy: -61.897 bonds (distance) P-C4' energy: -62.005 flat angles C4'-P-C4' energy: -61.270 flat angles P-C4'-P energy: -43.580 tors. eta vs tors. theta energy: -101.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -1037.072095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1037.072095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1037.072095 (E_RNA) where: Base-Base interactions energy: -700.408 where: short stacking energy: -282.464 Base-Backbone interact. energy: 0.496 local terms energy: -337.160304 where: bonds (distance) C4'-P energy: -65.101 bonds (distance) P-C4' energy: -64.170 flat angles C4'-P-C4' energy: -67.526 flat angles P-C4'-P energy: -52.808 tors. eta vs tors. theta energy: -87.557 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -1000.428682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1000.428682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1000.428682 (E_RNA) where: Base-Base interactions energy: -662.455 where: short stacking energy: -310.527 Base-Backbone interact. energy: -1.954 local terms energy: -336.018943 where: bonds (distance) C4'-P energy: -50.874 bonds (distance) P-C4' energy: -70.522 flat angles C4'-P-C4' energy: -70.518 flat angles P-C4'-P energy: -57.199 tors. eta vs tors. theta energy: -86.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -847.176566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -847.176566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -847.176566 (E_RNA) where: Base-Base interactions energy: -573.610 where: short stacking energy: -236.717 Base-Backbone interact. energy: -0.629 local terms energy: -272.937277 where: bonds (distance) C4'-P energy: -52.459 bonds (distance) P-C4' energy: -59.422 flat angles C4'-P-C4' energy: -59.880 flat angles P-C4'-P energy: -40.057 tors. eta vs tors. theta energy: -61.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -833.977419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -833.977419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -833.977419 (E_RNA) where: Base-Base interactions energy: -557.658 where: short stacking energy: -268.462 Base-Backbone interact. energy: 1.496 local terms energy: -277.815731 where: bonds (distance) C4'-P energy: -62.398 bonds (distance) P-C4' energy: -55.660 flat angles C4'-P-C4' energy: -62.175 flat angles P-C4'-P energy: -29.269 tors. eta vs tors. theta energy: -68.314 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: 5 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -694.398160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -694.398160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -694.398160 (E_RNA) where: Base-Base interactions energy: -452.713 where: short stacking energy: -198.451 Base-Backbone interact. energy: 0.047 local terms energy: -241.731880 where: bonds (distance) C4'-P energy: -53.201 bonds (distance) P-C4' energy: -55.126 flat angles C4'-P-C4' energy: -48.473 flat angles P-C4'-P energy: -36.509 tors. eta vs tors. theta energy: -48.422 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: 3 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -520.516947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -520.516947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -520.516947 (E_RNA) where: Base-Base interactions energy: -309.771 where: short stacking energy: -144.805 Base-Backbone interact. energy: 0.850 local terms energy: -211.596186 where: bonds (distance) C4'-P energy: -62.200 bonds (distance) P-C4' energy: -58.014 flat angles C4'-P-C4' energy: -47.081 flat angles P-C4'-P energy: -29.611 tors. eta vs tors. theta energy: -14.690 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -413.828322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -413.828322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -413.828322 (E_RNA) where: Base-Base interactions energy: -223.076 where: short stacking energy: -108.392 Base-Backbone interact. energy: 0.378 local terms energy: -191.130977 where: bonds (distance) C4'-P energy: -55.150 bonds (distance) P-C4' energy: -48.496 flat angles C4'-P-C4' energy: -53.430 flat angles P-C4'-P energy: -33.726 tors. eta vs tors. theta energy: -0.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -1149.652981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.652981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.652981 (E_RNA) where: Base-Base interactions energy: -804.695 where: short stacking energy: -346.161 Base-Backbone interact. energy: -0.794 local terms energy: -344.164042 where: bonds (distance) C4'-P energy: -63.305 bonds (distance) P-C4' energy: -59.368 flat angles C4'-P-C4' energy: -80.685 flat angles P-C4'-P energy: -46.478 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: 2, replica: 8 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -1187.412450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1187.412450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1187.412450 (E_RNA) where: Base-Base interactions energy: -855.674 where: short stacking energy: -351.630 Base-Backbone interact. energy: -0.804 local terms energy: -330.934400 where: bonds (distance) C4'-P energy: -51.571 bonds (distance) P-C4' energy: -57.391 flat angles C4'-P-C4' energy: -68.983 flat angles P-C4'-P energy: -50.473 tors. eta vs tors. theta energy: -102.516 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: 3, replica: 10 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -1087.844559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.844559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.844559 (E_RNA) where: Base-Base interactions energy: -754.926 where: short stacking energy: -308.715 Base-Backbone interact. energy: -1.436 local terms energy: -331.482709 where: bonds (distance) C4'-P energy: -65.473 bonds (distance) P-C4' energy: -64.922 flat angles C4'-P-C4' energy: -69.725 flat angles P-C4'-P energy: -40.596 tors. eta vs tors. theta energy: -90.766 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: 4, replica: 1 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -1014.203021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1014.203021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1014.203021 (E_RNA) where: Base-Base interactions energy: -680.268 where: short stacking energy: -310.566 Base-Backbone interact. energy: 1.894 local terms energy: -335.828929 where: bonds (distance) C4'-P energy: -57.296 bonds (distance) P-C4' energy: -61.890 flat angles C4'-P-C4' energy: -68.615 flat angles P-C4'-P energy: -52.936 tors. eta vs tors. theta energy: -95.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -1005.266198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1005.266198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1005.266198 (E_RNA) where: Base-Base interactions energy: -680.983 where: short stacking energy: -283.679 Base-Backbone interact. energy: -1.147 local terms energy: -323.136547 where: bonds (distance) C4'-P energy: -59.076 bonds (distance) P-C4' energy: -65.087 flat angles C4'-P-C4' energy: -70.729 flat angles P-C4'-P energy: -49.869 tors. eta vs tors. theta energy: -78.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -829.391693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -829.391693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -829.391693 (E_RNA) where: Base-Base interactions energy: -552.888 where: short stacking energy: -235.757 Base-Backbone interact. energy: 0.451 local terms energy: -276.954656 where: bonds (distance) C4'-P energy: -59.788 bonds (distance) P-C4' energy: -47.188 flat angles C4'-P-C4' energy: -59.342 flat angles P-C4'-P energy: -45.398 tors. eta vs tors. theta energy: -65.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -864.164970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -864.164970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -864.164970 (E_RNA) where: Base-Base interactions energy: -554.343 where: short stacking energy: -266.865 Base-Backbone interact. energy: -2.438 local terms energy: -307.383282 where: bonds (distance) C4'-P energy: -58.414 bonds (distance) P-C4' energy: -60.845 flat angles C4'-P-C4' energy: -64.360 flat angles P-C4'-P energy: -42.551 tors. eta vs tors. theta energy: -81.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -731.740213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -731.740213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -731.740213 (E_RNA) where: Base-Base interactions energy: -487.187 where: short stacking energy: -203.658 Base-Backbone interact. energy: -1.431 local terms energy: -243.122512 where: bonds (distance) C4'-P energy: -53.692 bonds (distance) P-C4' energy: -49.568 flat angles C4'-P-C4' energy: -64.182 flat angles P-C4'-P energy: -30.579 tors. eta vs tors. theta energy: -45.102 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: 3 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -525.965802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -525.965802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -525.965802 (E_RNA) where: Base-Base interactions energy: -336.032 where: short stacking energy: -144.444 Base-Backbone interact. energy: 5.891 local terms energy: -195.824518 where: bonds (distance) C4'-P energy: -44.775 bonds (distance) P-C4' energy: -52.273 flat angles C4'-P-C4' energy: -44.393 flat angles P-C4'-P energy: -38.903 tors. eta vs tors. theta energy: -15.481 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: 7 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -433.462775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -433.462775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -433.462775 (E_RNA) where: Base-Base interactions energy: -227.721 where: short stacking energy: -121.873 Base-Backbone interact. energy: -0.432 local terms energy: -205.309735 where: bonds (distance) C4'-P energy: -59.382 bonds (distance) P-C4' energy: -57.048 flat angles C4'-P-C4' energy: -57.169 flat angles P-C4'-P energy: -20.511 tors. eta vs tors. theta energy: -11.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 8 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -1211.664513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1211.664513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1211.664513 (E_RNA) where: Base-Base interactions energy: -855.038 where: short stacking energy: -343.830 Base-Backbone interact. energy: -3.295 local terms energy: -353.331638 where: bonds (distance) C4'-P energy: -62.335 bonds (distance) P-C4' energy: -70.814 flat angles C4'-P-C4' energy: -75.157 flat angles P-C4'-P energy: -46.727 tors. eta vs tors. theta energy: -98.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 472 Temperature: 0.950000 Total energy: -1133.026805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1133.026805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1133.026805 (E_RNA) where: Base-Base interactions energy: -782.263 where: short stacking energy: -328.090 Base-Backbone interact. energy: -0.798 local terms energy: -349.965666 where: bonds (distance) C4'-P energy: -55.465 bonds (distance) P-C4' energy: -78.312 flat angles C4'-P-C4' energy: -70.641 flat angles P-C4'-P energy: -49.517 tors. eta vs tors. theta energy: -96.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -1077.630575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1077.630575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1077.630575 (E_RNA) where: Base-Base interactions energy: -745.860 where: short stacking energy: -295.798 Base-Backbone interact. energy: -0.978 local terms energy: -330.791805 where: bonds (distance) C4'-P energy: -54.163 bonds (distance) P-C4' energy: -60.246 flat angles C4'-P-C4' energy: -76.493 flat angles P-C4'-P energy: -55.286 tors. eta vs tors. theta energy: -84.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -1031.243751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1031.243751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1031.243751 (E_RNA) where: Base-Base interactions energy: -692.464 where: short stacking energy: -312.854 Base-Backbone interact. energy: 0.064 local terms energy: -338.844399 where: bonds (distance) C4'-P energy: -67.860 bonds (distance) P-C4' energy: -59.367 flat angles C4'-P-C4' energy: -78.277 flat angles P-C4'-P energy: -43.642 tors. eta vs tors. theta energy: -89.699 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: 472 Temperature: 1.100000 Total energy: -977.315887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -977.315887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -977.315887 (E_RNA) where: Base-Base interactions energy: -666.995 where: short stacking energy: -275.538 Base-Backbone interact. energy: -0.988 local terms energy: -309.332933 where: bonds (distance) C4'-P energy: -57.880 bonds (distance) P-C4' energy: -67.185 flat angles C4'-P-C4' energy: -69.913 flat angles P-C4'-P energy: -36.736 tors. eta vs tors. theta energy: -77.619 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: 4 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -834.581174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -834.581174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -834.581174 (E_RNA) where: Base-Base interactions energy: -537.588 where: short stacking energy: -238.037 Base-Backbone interact. energy: -2.612 local terms energy: -294.380894 where: bonds (distance) C4'-P energy: -60.945 bonds (distance) P-C4' energy: -63.631 flat angles C4'-P-C4' energy: -65.661 flat angles P-C4'-P energy: -40.020 tors. eta vs tors. theta energy: -64.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -867.304863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -867.304863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -867.304863 (E_RNA) where: Base-Base interactions energy: -592.586 where: short stacking energy: -273.903 Base-Backbone interact. energy: -1.165 local terms energy: -273.553756 where: bonds (distance) C4'-P energy: -42.157 bonds (distance) P-C4' energy: -51.992 flat angles C4'-P-C4' energy: -72.253 flat angles P-C4'-P energy: -29.829 tors. eta vs tors. theta energy: -77.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -768.202033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -768.202033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -768.202033 (E_RNA) where: Base-Base interactions energy: -496.345 where: short stacking energy: -217.772 Base-Backbone interact. energy: 1.309 local terms energy: -273.165947 where: bonds (distance) C4'-P energy: -52.313 bonds (distance) P-C4' energy: -59.770 flat angles C4'-P-C4' energy: -63.794 flat angles P-C4'-P energy: -44.486 tors. eta vs tors. theta energy: -52.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -545.022266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -545.022266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -545.022266 (E_RNA) where: Base-Base interactions energy: -331.539 where: short stacking energy: -158.251 Base-Backbone interact. energy: 0.065 local terms energy: -213.548194 where: bonds (distance) C4'-P energy: -58.161 bonds (distance) P-C4' energy: -45.133 flat angles C4'-P-C4' energy: -51.782 flat angles P-C4'-P energy: -36.021 tors. eta vs tors. theta energy: -22.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -420.260389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -420.260389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -420.260389 (E_RNA) where: Base-Base interactions energy: -234.185 where: short stacking energy: -118.427 Base-Backbone interact. energy: -3.851 local terms energy: -182.224625 where: bonds (distance) C4'-P energy: -35.285 bonds (distance) P-C4' energy: -67.258 flat angles C4'-P-C4' energy: -47.180 flat angles P-C4'-P energy: -28.795 tors. eta vs tors. theta energy: -3.707 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: 1, replica: 8 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -1206.276035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1206.276035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1206.276035 (E_RNA) where: Base-Base interactions energy: -848.248 where: short stacking energy: -342.810 Base-Backbone interact. energy: -0.188 local terms energy: -357.840032 where: bonds (distance) C4'-P energy: -66.513 bonds (distance) P-C4' energy: -63.195 flat angles C4'-P-C4' energy: -77.799 flat angles P-C4'-P energy: -47.239 tors. eta vs tors. theta energy: -103.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -1149.106202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1149.106202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1149.106202 (E_RNA) where: Base-Base interactions energy: -805.714 where: short stacking energy: -330.302 Base-Backbone interact. energy: -2.170 local terms energy: -341.221392 where: bonds (distance) C4'-P energy: -52.200 bonds (distance) P-C4' energy: -63.330 flat angles C4'-P-C4' energy: -74.965 flat angles P-C4'-P energy: -51.783 tors. eta vs tors. theta energy: -98.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -1087.770532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1087.770532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1087.770532 (E_RNA) where: Base-Base interactions energy: -776.740 where: short stacking energy: -299.459 Base-Backbone interact. energy: -2.968 local terms energy: -308.062849 where: bonds (distance) C4'-P energy: -58.897 bonds (distance) P-C4' energy: -56.639 flat angles C4'-P-C4' energy: -71.600 flat angles P-C4'-P energy: -34.016 tors. eta vs tors. theta energy: -86.911 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: 4, replica: 2 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -1025.989119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -1025.989119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -1025.989119 (E_RNA) where: Base-Base interactions energy: -684.346 where: short stacking energy: -286.785 Base-Backbone interact. energy: -1.882 local terms energy: -339.761819 where: bonds (distance) C4'-P energy: -59.994 bonds (distance) P-C4' energy: -68.021 flat angles C4'-P-C4' energy: -74.027 flat angles P-C4'-P energy: -49.850 tors. eta vs tors. theta energy: -87.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -972.167219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -972.167219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -972.167219 (E_RNA) where: Base-Base interactions energy: -663.013 where: short stacking energy: -309.195 Base-Backbone interact. energy: -0.454 local terms energy: -308.701151 where: bonds (distance) C4'-P energy: -63.120 bonds (distance) P-C4' energy: -58.395 flat angles C4'-P-C4' energy: -64.012 flat angles P-C4'-P energy: -45.498 tors. eta vs tors. theta energy: -77.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -911.232458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -911.232458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -911.232458 (E_RNA) where: Base-Base interactions energy: -609.900 where: short stacking energy: -292.504 Base-Backbone interact. energy: 0.006 local terms energy: -301.338076 where: bonds (distance) C4'-P energy: -53.858 bonds (distance) P-C4' energy: -59.580 flat angles C4'-P-C4' energy: -62.643 flat angles P-C4'-P energy: -34.870 tors. eta vs tors. theta energy: -90.387 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: 7, replica: 4 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -789.992449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -789.992449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -789.992449 (E_RNA) where: Base-Base interactions energy: -499.303 where: short stacking energy: -222.575 Base-Backbone interact. energy: -0.377 local terms energy: -290.312570 where: bonds (distance) C4'-P energy: -53.331 bonds (distance) P-C4' energy: -70.662 flat angles C4'-P-C4' energy: -63.466 flat angles P-C4'-P energy: -40.621 tors. eta vs tors. theta energy: -62.233 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: 5 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -787.658994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -787.658994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -787.658994 (E_RNA) where: Base-Base interactions energy: -532.799 where: short stacking energy: -209.726 Base-Backbone interact. energy: -0.764 local terms energy: -254.096492 where: bonds (distance) C4'-P energy: -50.481 bonds (distance) P-C4' energy: -52.028 flat angles C4'-P-C4' energy: -63.232 flat angles P-C4'-P energy: -32.458 tors. eta vs tors. theta energy: -55.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -558.674814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -558.674814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -558.674814 (E_RNA) where: Base-Base interactions energy: -343.875 where: short stacking energy: -155.549 Base-Backbone interact. energy: -0.752 local terms energy: -214.047596 where: bonds (distance) C4'-P energy: -57.060 bonds (distance) P-C4' energy: -56.264 flat angles C4'-P-C4' energy: -50.358 flat angles P-C4'-P energy: -32.626 tors. eta vs tors. theta energy: -17.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -414.461652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -414.461652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -414.461652 (E_RNA) where: Base-Base interactions energy: -209.054 where: short stacking energy: -119.241 Base-Backbone interact. energy: 4.927 local terms energy: -210.335099 where: bonds (distance) C4'-P energy: -52.294 bonds (distance) P-C4' energy: -55.366 flat angles C4'-P-C4' energy: -55.012 flat angles P-C4'-P energy: -39.651 tors. eta vs tors. theta energy: -8.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE DONE